smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2ccccc2)nc(NN=Cc2ccc(O)cc2)[nH]1 ZINC000083331321 185222210 /nfs/dbraw/zinc/22/22/10/185222210.db2.gz CAVHCSSOHJNBNR-WQRHYEAKSA-N 0 0 306.325 2.589 10 30 DFEERN C=C[C@H](NN)c1ccc(Br)cc1Br ZINC000236283814 398361663 /nfs/dbraw/zinc/36/16/63/398361663.db2.gz QVBSZVNYYANERV-VIFPVBQESA-N 0 0 306.001 2.902 10 30 DFEERN Cc1nc2sc3c(c2c(-n2ncc(C#N)c2N)n1)CCCCC3 ZINC000035576209 398551123 /nfs/dbraw/zinc/55/11/23/398551123.db2.gz KSWSKQIIGJPEBP-UHFFFAOYSA-N 0 0 324.413 2.908 10 30 DFEERN Oc1c(F)cccc1/C=N/CC/N=C/c1cccc(F)c1O ZINC000038655576 398556704 /nfs/dbraw/zinc/55/67/04/398556704.db2.gz HEEOKPRLQABDPP-LQGKIZFRSA-N 0 0 304.296 2.914 10 30 DFEERN N#C[C@H]1CCCC[C@@H]1n1cc(I)cn1 ZINC000070677609 398595216 /nfs/dbraw/zinc/59/52/16/398595216.db2.gz JMTKTYJLVACXGM-SCZZXKLOSA-N 0 0 301.131 2.743 10 30 DFEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2C)cc1 ZINC000003526810 181030659 /nfs/dbraw/zinc/03/06/59/181030659.db2.gz XWUGOJFCGTXBLI-SFQUDFHCSA-N 0 0 318.398 2.706 10 30 DFEERN COC(=O)c1ccc(NC(=O)C/N=C/CC(C)(C)C)cc1OC ZINC000114335881 398744930 /nfs/dbraw/zinc/74/49/30/398744930.db2.gz MQOZMTUUZASJRZ-GIJQJNRQSA-N 0 0 320.389 2.927 10 30 DFEERN N#Cc1cc(Br)ccc1NC(=O)c1cccnc1 ZINC000005864358 181291231 /nfs/dbraw/zinc/29/12/31/181291231.db2.gz DBMSWQSLBVRCIA-UHFFFAOYSA-N 0 0 302.131 2.968 10 30 DFEERN CC(C)n1cc(C(=O)/C=C\c2cccn(C(F)F)c2=O)cn1 ZINC000606445554 399071544 /nfs/dbraw/zinc/07/15/44/399071544.db2.gz PPNZRTWQBTYVHU-WAYWQWQTSA-N 0 0 307.300 2.917 10 30 DFEERN Cn1nc2c(c1/C=C\C(=O)c1cnn3ccccc13)CCCC2 ZINC000606445569 399071754 /nfs/dbraw/zinc/07/17/54/399071754.db2.gz HUIMMNZMIMYODX-KTKRTIGZSA-N 0 0 306.369 2.843 10 30 DFEERN COc1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)on1 ZINC000606442493 399072023 /nfs/dbraw/zinc/07/20/23/399072023.db2.gz WWLSCZRCDYOPMN-ALCCZGGFSA-N 0 0 301.346 2.819 10 30 DFEERN COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)on1 ZINC000606445592 399072390 /nfs/dbraw/zinc/07/23/90/399072390.db2.gz LTSXINLOZHMVPV-ALCCZGGFSA-N 0 0 319.313 2.605 10 30 DFEERN C=CC[C@@H](C(=O)OCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000255975711 202914264 /nfs/dbraw/zinc/91/42/64/202914264.db2.gz HAYNQQXGCCTJTR-GFCCVEGCSA-N 0 0 301.342 2.632 10 30 DFEERN CC(C)(O)[C@@]12CC[C@@](C)(O1)[C@H](OCc1ccccc1C#N)C2 ZINC000256008887 202919480 /nfs/dbraw/zinc/91/94/80/202919480.db2.gz WIICOXODXFNKOI-NXHRZFHOSA-N 0 0 301.386 2.926 10 30 DFEERN CCCCCCCCOC(=S)NC[C@@H]1CCS(=O)(=O)C1 ZINC000059568487 399110572 /nfs/dbraw/zinc/11/05/72/399110572.db2.gz HLBZHXWIQNADSX-ZDUSSCGKSA-N 0 0 321.508 2.673 10 30 DFEERN CCCCCCCSC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000059568494 399110372 /nfs/dbraw/zinc/11/03/72/399110372.db2.gz HFMLNCYWWMQWQL-ZDUSSCGKSA-N 0 0 307.481 2.977 10 30 DFEERN CCOC(=O)C(Br)N=Nc1ccc(F)cc1F ZINC000016158827 182036095 /nfs/dbraw/zinc/03/60/95/182036095.db2.gz DMRIDXGDMAOOMY-OQLLNIDSSA-N 0 0 307.094 2.648 10 30 DFEERN COc1cc(-c2[nH]c(=S)[nH]c(=O)c2C#N)ccc1OC(C)C ZINC000019651567 182134513 /nfs/dbraw/zinc/13/45/13/182134513.db2.gz CBSTUFNSJNLREF-UHFFFAOYSA-N 0 0 317.370 2.767 10 30 DFEERN C=C(Cl)CN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000019966849 182170911 /nfs/dbraw/zinc/17/09/11/182170911.db2.gz HJWBSABJMHUZDL-UHFFFAOYSA-N 0 0 300.539 2.731 10 30 DFEERN C[C@@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)N(C)CCC#N ZINC000020017939 182178810 /nfs/dbraw/zinc/17/88/10/182178810.db2.gz BWJVOGIFMUDVHS-QMMMGPOBSA-N 0 0 315.204 2.748 10 30 DFEERN C=CCNC(=O)CN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039354708 183017274 /nfs/dbraw/zinc/01/72/74/183017274.db2.gz ITBPROUWHKYZOD-IBGZPJMESA-N 0 0 322.408 2.925 10 30 DFEERN CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C#N)CC1 ZINC000040434988 183066751 /nfs/dbraw/zinc/06/67/51/183066751.db2.gz QPTLQXGZMPLFEN-UHFFFAOYSA-N 0 0 303.362 2.732 10 30 DFEERN C=C(Br)Cn1c(CNC(C)=O)nc2ccccc21 ZINC000040274065 183050113 /nfs/dbraw/zinc/05/01/13/183050113.db2.gz AHLWBEHLCQCLFE-UHFFFAOYSA-N 0 0 308.179 2.581 10 30 DFEERN CCOC(=O)C(C(C)=O)=C(NC)SCc1ccc(C)cc1 ZINC000040570375 183103948 /nfs/dbraw/zinc/10/39/48/183103948.db2.gz NVQJFWSOWCMEOE-CCEZHUSRSA-N 0 0 307.415 2.811 10 30 DFEERN C=CCNc1ncnc(Nc2ccccc2OC)c1[N+](=O)[O-] ZINC000040598742 183107937 /nfs/dbraw/zinc/10/79/37/183107937.db2.gz LZFPTNRPNAVWJZ-UHFFFAOYSA-N 0 0 301.306 2.735 10 30 DFEERN CCN(CC/C(N)=N/O)C(=O)c1c(Cl)cccc1Cl ZINC000042453806 183272190 /nfs/dbraw/zinc/27/21/90/183272190.db2.gz MEDQMQFOXSNJCA-UHFFFAOYSA-N 0 0 304.177 2.592 10 30 DFEERN CCN(CC/C(N)=N/O)Cc1ccc(Br)cc1F ZINC000042452990 183272225 /nfs/dbraw/zinc/27/22/25/183272225.db2.gz XDNVXVUYANYBNU-UHFFFAOYSA-N 0 0 318.190 2.547 10 30 DFEERN CCN[C@H](C#N)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440608 183786701 /nfs/dbraw/zinc/78/67/01/183786701.db2.gz LDSAMILSORBZMJ-SSDOTTSWSA-N 0 0 304.133 2.782 10 30 DFEERN CC(C)(C)OC(=O)N1C[C@@H](C#Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC000616580984 399486419 /nfs/dbraw/zinc/48/64/19/399486419.db2.gz BHHBIZJRGHNVEC-UKRRQHHQSA-N 0 0 321.804 2.919 10 30 DFEERN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)[C@@H](O)C[C@@]43C)[C@H]1CC[C@H]2O ZINC000257788380 257103396 /nfs/dbraw/zinc/10/33/96/257103396.db2.gz ZOIPFFUVGMVQGE-MZVGKSNJSA-N 0 0 304.430 2.850 10 30 DFEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000256427200 257104400 /nfs/dbraw/zinc/10/44/00/257104400.db2.gz GFUSEGGPVQNTTK-YZRFIYLOSA-N 0 0 312.409 2.672 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1[C@H](O)C[C@H]2O ZINC000256440898 257104676 /nfs/dbraw/zinc/10/46/76/257104676.db2.gz KYGUQDTWUBBBSD-XDQBVRMPSA-N 0 0 304.430 2.850 10 30 DFEERN N#CN=C(SCc1ccccc1)SCN1C(=O)CCC1=O ZINC000256002306 257257888 /nfs/dbraw/zinc/25/78/88/257257888.db2.gz SSVPJNFBYZZPPN-UHFFFAOYSA-N 0 0 319.411 2.597 10 30 DFEERN O=c1oc(C#Cc2ccccc2F)nc(O)c1-c1ccccc1 ZINC000095831239 296534800 /nfs/dbraw/zinc/53/48/00/296534800.db2.gz IFZQHANZPPCBKM-UHFFFAOYSA-N 0 0 307.280 2.946 10 30 DFEERN CNc1ccc(C#Cc2ccc(OCCOCCO)cc2)cc1 ZINC000028643721 425822377 /nfs/dbraw/zinc/82/23/77/425822377.db2.gz BNVJHXUNJFCGPM-UHFFFAOYSA-N 0 0 311.381 2.516 10 30 DFEERN N#Cc1cnc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000333130921 268376571 /nfs/dbraw/zinc/37/65/71/268376571.db2.gz AZACKIJSBRXREG-LBPRGKRZSA-N 0 0 310.323 2.903 10 30 DFEERN CCOc1ccc(S(=O)(=O)NN=Cc2ccccc2C)cc1 ZINC000254394501 427220185 /nfs/dbraw/zinc/22/01/85/427220185.db2.gz XWUGOJFCGTXBLI-UHFFFAOYSA-N 0 0 318.398 2.706 10 30 DFEERN CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2ccco2)cc1 ZINC000254707003 427223024 /nfs/dbraw/zinc/22/30/24/427223024.db2.gz KIXKZLLWGFAWQQ-UHFFFAOYSA-N 0 0 306.387 2.890 10 30 DFEERN COc1cccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000254762723 427225080 /nfs/dbraw/zinc/22/50/80/427225080.db2.gz KBAMNVVNTWJFIF-UHFFFAOYSA-N 0 0 324.789 2.661 10 30 DFEERN CCc1ccc(S(=O)(=O)NN=Cc2ccc(C)s2)cc1 ZINC000254852923 427225533 /nfs/dbraw/zinc/22/55/33/427225533.db2.gz BOOVESMOUATILA-UHFFFAOYSA-N 0 0 308.428 2.931 10 30 DFEERN CC1N=NC(=S)N1N=Cc1ccc(COc2ccccc2)o1 ZINC000263632653 427527478 /nfs/dbraw/zinc/52/74/78/427527478.db2.gz ASLKNXLAOQDKHB-UHFFFAOYSA-N 0 0 314.370 2.929 10 30 DFEERN CCOc1cc(CC#N)cc(I)c1OC ZINC000575697805 430094478 /nfs/dbraw/zinc/09/44/78/430094478.db2.gz MMWIUBDKWWHARQ-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN COC(=O)Cc1cc(C(F)F)c(C#N)cc1Br ZINC000575341615 430078444 /nfs/dbraw/zinc/07/84/44/430078444.db2.gz NGUDECVIBQVDFY-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1OC(F)F ZINC000575387117 430081831 /nfs/dbraw/zinc/08/18/31/430081831.db2.gz WAOQSRVJMSDPOW-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1cc(C#N)cc(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575393545 430082677 /nfs/dbraw/zinc/08/26/77/430082677.db2.gz GPYNVPGZLDXHDB-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1OC ZINC000575394203 430082800 /nfs/dbraw/zinc/08/28/00/430082800.db2.gz HKTSAWLFLJIHFB-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1c(OC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575395610 430082975 /nfs/dbraw/zinc/08/29/75/430082975.db2.gz JVSNDMZOMQWHTA-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395408 430083310 /nfs/dbraw/zinc/08/33/10/430083310.db2.gz BONDHRWOAUEYFI-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN COC(=O)c1cc([N+](=O)[O-])cc(C#N)c1SC(F)(F)F ZINC000575393487 430083362 /nfs/dbraw/zinc/08/33/62/430083362.db2.gz CMYVQXGBJOEMIO-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)c1cc(SC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575394263 430083393 /nfs/dbraw/zinc/08/33/93/430083393.db2.gz RDDGVIYJSUVDOF-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)c1cc(C#N)cc([N+](=O)[O-])c1SC(F)(F)F ZINC000575394152 430083403 /nfs/dbraw/zinc/08/34/03/430083403.db2.gz NCIRWFFMYWZSTC-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOc1cc(I)cc(C#N)c1CC#N ZINC000575649030 430087072 /nfs/dbraw/zinc/08/70/72/430087072.db2.gz XDMLWCGIWLNKEN-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN CCOc1cc(CC#N)cc(I)c1C#N ZINC000575644718 430087427 /nfs/dbraw/zinc/08/74/27/430087427.db2.gz IDWGKDHJIGKPNL-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN C[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)NC2)N1CCCCC1=O ZINC000328720561 334748273 /nfs/dbraw/zinc/74/82/73/334748273.db2.gz WFGOVWMDBSGQOD-NSHDSACASA-N 0 0 315.373 2.884 10 30 DFEERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328716868 334750615 /nfs/dbraw/zinc/75/06/15/334750615.db2.gz UGCISESBWURPST-HNNXBMFYSA-N 0 0 318.421 2.583 10 30 DFEERN O=C(NCCC1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328835618 334758933 /nfs/dbraw/zinc/75/89/33/334758933.db2.gz MKLVXNZAQCSSCX-XHSDSOJGSA-N 0 0 322.449 2.654 10 30 DFEERN CCCc1nc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)co1 ZINC000328841522 334759505 /nfs/dbraw/zinc/75/95/05/334759505.db2.gz ZOIOPZKDCVHKIK-OLZOCXBDSA-N 0 0 319.405 2.723 10 30 DFEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000328956209 334767211 /nfs/dbraw/zinc/76/72/11/334767211.db2.gz NNSAPHCUGSILQX-JKJDWNRSSA-N 0 0 315.417 2.678 10 30 DFEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1nccs1 ZINC000328925398 334768829 /nfs/dbraw/zinc/76/88/29/334768829.db2.gz DULMJJURUBEWSZ-VXGBXAGGSA-N 0 0 302.403 2.767 10 30 DFEERN O=C(NC[C@@H]1COCCO1)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329450523 335978184 /nfs/dbraw/zinc/97/81/84/335978184.db2.gz DOLCLBBPLQZMCN-VXGBXAGGSA-N 0 0 311.765 2.578 10 30 DFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000329478523 335981592 /nfs/dbraw/zinc/98/15/92/335981592.db2.gz CJIKPMUDAUUGBL-RRCSTGOVSA-N 0 0 321.421 2.658 10 30 DFEERN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000329555365 335993463 /nfs/dbraw/zinc/99/34/63/335993463.db2.gz QESABWMEGBKRLT-OAGGEKHMSA-N 0 0 316.401 2.702 10 30 DFEERN CN(C)c1nc2ccc(NC(=O)[C@H]3C[C@@]34CCOC4)cc2o1 ZINC000329624853 336015453 /nfs/dbraw/zinc/01/54/53/336015453.db2.gz SOWVSXRMIPXYAD-BDJLRTHQSA-N 0 0 301.346 2.908 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)sc2C1 ZINC000329799535 336083343 /nfs/dbraw/zinc/08/33/43/336083343.db2.gz XWJHFZYXXAJZHY-NJBDSQKTSA-N 0 0 322.430 2.907 10 30 DFEERN O=C(NCC1(CO)CCCC1)[C@@H]1CCN1Cc1ccccc1 ZINC000329970477 336101383 /nfs/dbraw/zinc/10/13/83/336101383.db2.gz VABJNWPGWUAIBE-INIZCTEOSA-N 0 0 302.418 2.770 10 30 DFEERN C[C@H](CC(=O)Nc1cccc2c1C(=O)NC2)N1CCCCC1=O ZINC000329998163 336104296 /nfs/dbraw/zinc/10/42/96/336104296.db2.gz RVOSBPDPDJGTJM-LLVKDONJSA-N 0 0 315.373 2.884 10 30 DFEERN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)C1(O)CCOCC1 ZINC000330008133 336105385 /nfs/dbraw/zinc/10/53/85/336105385.db2.gz GKGYXAGAAHRXIK-UHFFFAOYSA-N 0 0 321.764 2.655 10 30 DFEERN O=C(N[C@H]1CCCc2c(O)cccc21)C1CCS(=O)(=O)CC1 ZINC000330037688 336108125 /nfs/dbraw/zinc/10/81/25/336108125.db2.gz DKSPBHBYWJSSFL-AWEZNQCLSA-N 0 0 323.414 2.551 10 30 DFEERN COC(=O)c1c(C)c2cc(C#N)cc(Br)c2n1C ZINC000584618449 337373204 /nfs/dbraw/zinc/37/32/04/337373204.db2.gz ILIVPTMHPHXTQM-UHFFFAOYSA-N 0 0 307.147 2.908 10 30 DFEERN Cc1c2cc(C#N)cc(-c3ccnc(F)c3)c2n(C)c1C(N)=O ZINC000584618673 337373228 /nfs/dbraw/zinc/37/32/28/337373228.db2.gz LRTYTKKYZMALSF-UHFFFAOYSA-N 0 0 308.316 2.658 10 30 DFEERN CCNc1ccc(-c2ccc(C#N)c(Cl)c2)nc1C(N)=O ZINC000584628649 337376363 /nfs/dbraw/zinc/37/63/63/337376363.db2.gz LVRXTRITCTYOAA-UHFFFAOYSA-N 0 0 300.749 2.804 10 30 DFEERN COc1ccc(OC)c2c1CC[C@@](O)(C#C[Si](C)(C)C)C2 ZINC000584660257 337378244 /nfs/dbraw/zinc/37/82/44/337378244.db2.gz DJCUTGNLHFVBJG-QGZVFWFLSA-N 0 0 304.462 2.804 10 30 DFEERN [NH3+]Cc1ccc(NC=NC(=O)OCc2ccccc2)cc1F ZINC000584660300 337378325 /nfs/dbraw/zinc/37/83/25/337378325.db2.gz KAOFZFFKWDAXAO-UHFFFAOYSA-N 0 0 301.321 2.871 10 30 DFEERN O=CC[C@H](C1CCCC1)n1cc(-c2ncnn3cccc23)cn1 ZINC000221825193 398347305 /nfs/dbraw/zinc/34/73/05/398347305.db2.gz ILYZBFIMLFNROZ-OAHLLOKOSA-N 0 0 309.373 2.913 10 30 DFEERN Cc1ccc(OCC(=N)NOC(=O)c2ccnc(Cl)c2)cc1 ZINC000004280817 398348591 /nfs/dbraw/zinc/34/85/91/398348591.db2.gz WBCVDIKKIBYZBU-UHFFFAOYSA-N 0 0 319.748 2.551 10 30 DFEERN C=C[C@@H](NN)c1ccc(Br)cc1Br ZINC000236283109 398362044 /nfs/dbraw/zinc/36/20/44/398362044.db2.gz QVBSZVNYYANERV-SECBINFHSA-N 0 0 306.001 2.902 10 30 DFEERN C=CCCC(=O)c1cc(OC)cn1S(=O)(=O)c1ccccc1 ZINC000090735580 185311721 /nfs/dbraw/zinc/31/17/21/185311721.db2.gz NHEMTNRAQAZQRP-UHFFFAOYSA-N 0 0 319.382 2.883 10 30 DFEERN N#CCCn1c(CO)cnc1SCc1cc(F)cc(F)c1 ZINC000004720519 181141425 /nfs/dbraw/zinc/14/14/25/181141425.db2.gz IOXQEJOOINWHMN-UHFFFAOYSA-N 0 0 309.341 2.860 10 30 DFEERN CC1(C)OC(=O)C(=Cc2ccc(C#Cc3ccccc3)o2)C(=O)O1 ZINC000005415328 181240723 /nfs/dbraw/zinc/24/07/23/181240723.db2.gz UUVDLDXRWKXYDJ-UHFFFAOYSA-N 0 0 322.316 2.899 10 30 DFEERN Cc1nc(NC(N)=NC(=O)c2ccc(F)cc2)nc2ccccc12 ZINC000005921987 181296461 /nfs/dbraw/zinc/29/64/61/181296461.db2.gz FIPVMELWSOAYTQ-UHFFFAOYSA-N 0 0 323.331 2.644 10 30 DFEERN COc1ccccc1C(=O)NC(=S)Nc1ccccc1C#N ZINC000006298324 181327130 /nfs/dbraw/zinc/32/71/30/181327130.db2.gz WJTYAJJXHSVZHF-UHFFFAOYSA-N 0 0 311.366 2.694 10 30 DFEERN CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@H]1c1ccccc1C ZINC000007516805 181471755 /nfs/dbraw/zinc/47/17/55/181471755.db2.gz LKKIZUCCICKSTC-OAHLLOKOSA-N 0 0 315.369 2.705 10 30 DFEERN CCCCCCCCCOC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000059568735 399110227 /nfs/dbraw/zinc/11/02/27/399110227.db2.gz LMSWGAWBWSOINF-CYBMUJFWSA-N 0 0 305.440 2.650 10 30 DFEERN CN1CCS/C1=N\C(/N=C1\SCCN1C)c1ccccc1 ZINC000060269425 399120143 /nfs/dbraw/zinc/12/01/43/399120143.db2.gz WPCQBOQYSBBQQV-RYOQUFEFSA-N 0 0 320.487 2.754 10 30 DFEERN C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)c1ccccc1 ZINC000019988741 182174343 /nfs/dbraw/zinc/17/43/43/182174343.db2.gz GONCUINBKSVJAQ-CYBMUJFWSA-N 0 0 300.383 2.739 10 30 DFEERN C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)CCC[C@@H]1C ZINC000020552370 182231026 /nfs/dbraw/zinc/23/10/26/182231026.db2.gz SSNFUYAYFWDNFZ-WOSRLPQWSA-N 0 0 306.431 2.802 10 30 DFEERN C=CCn1c(SCC(=O)N(CC)CC)nnc1C(C)(C)C ZINC000020838980 182248947 /nfs/dbraw/zinc/24/89/47/182248947.db2.gz JDSGDXPWHKPEDP-UHFFFAOYSA-N 0 0 310.467 2.722 10 30 DFEERN C=CCN1C(=S)N=NC1CCCOc1ccc(OC)cc1 ZINC000064872053 399234309 /nfs/dbraw/zinc/23/43/09/399234309.db2.gz UONOATLORPOCNB-UHFFFAOYSA-N 0 0 305.403 2.773 10 30 DFEERN C=C(C)Cn1c(CNC(=O)c2ccncc2)nc2ccccc21 ZINC000040183763 183045088 /nfs/dbraw/zinc/04/50/88/183045088.db2.gz PQNVXMDCQKSUMC-UHFFFAOYSA-N 0 0 306.369 2.937 10 30 DFEERN C#CCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040279750 183050873 /nfs/dbraw/zinc/05/08/73/183050873.db2.gz ONKBCCXLYUUWMV-UHFFFAOYSA-N 0 0 319.364 2.608 10 30 DFEERN CC[C@@](C)(NC(=O)c1ccc(Cl)cc1Cl)/C(N)=N/O ZINC000040373167 183056748 /nfs/dbraw/zinc/05/67/48/183056748.db2.gz NQDXJTOQHDVQAF-GFCCVEGCSA-N 0 0 304.177 2.638 10 30 DFEERN C[C@@](C#N)(Cc1ccc(Br)cc1)N1CCOCC1 ZINC000041543028 183201126 /nfs/dbraw/zinc/20/11/26/183201126.db2.gz ZFLNPCBPTFZXRC-AWEZNQCLSA-N 0 0 309.207 2.606 10 30 DFEERN CCN(CC/C(N)=N/O)C(=O)c1cccc(Cl)c1Cl ZINC000042453896 183271977 /nfs/dbraw/zinc/27/19/77/183271977.db2.gz CGKRRYQFUBNJKH-UHFFFAOYSA-N 0 0 304.177 2.592 10 30 DFEERN C[C@@H](C#N)CN(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000042461102 183272848 /nfs/dbraw/zinc/27/28/48/183272848.db2.gz ZMRGFRALHBWMDF-VIFPVBQESA-N 0 0 312.167 2.949 10 30 DFEERN N#CCCN(CC(=O)Nc1ccccc1Br)C1CC1 ZINC000042359714 183258134 /nfs/dbraw/zinc/25/81/34/183258134.db2.gz HUDHBDTWTGSMGN-UHFFFAOYSA-N 0 0 322.206 2.766 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 ZINC000043220295 183345157 /nfs/dbraw/zinc/34/51/57/183345157.db2.gz AJWCKSITMUCWTD-CQSZACIVSA-N 0 0 317.389 2.979 10 30 DFEERN CCCCCCCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 ZINC000043664510 183377469 /nfs/dbraw/zinc/37/74/69/183377469.db2.gz BTIRTQQAHQSVLF-UHFFFAOYSA-N 0 0 315.395 2.629 10 30 DFEERN O=C1/C(=N\c2ccc3c(c2)OCO3)c2cccc3c2N1CCC3 ZINC000104868646 194048431 /nfs/dbraw/zinc/04/84/31/194048431.db2.gz WLHVPNKDIAWIGK-MNDPQUGUSA-N 0 0 306.321 2.829 10 30 DFEERN CC(C)(C)OC(=O)N1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616658885 399495875 /nfs/dbraw/zinc/49/58/75/399495875.db2.gz GOBNBJTVNKTVJV-AWEZNQCLSA-N 0 0 302.374 2.909 10 30 DFEERN CS(=O)(=O)N1CC[C@@H](c2ccccc2C#N)c2ccccc21 ZINC000616676781 399497592 /nfs/dbraw/zinc/49/75/92/399497592.db2.gz PRIKXCUOPYKRAE-HNNXBMFYSA-N 0 0 312.394 2.860 10 30 DFEERN COC(=O)CCC/C(=N/O)c1ccc(Br)cc1 ZINC000504619616 257142893 /nfs/dbraw/zinc/14/28/93/257142893.db2.gz PEHBOZLIIUCWMP-KAMYIIQDSA-N 0 0 300.152 2.971 10 30 DFEERN CCOC(=O)c1sc(N=NCc2ccc(O)cc2)nc1C ZINC000104231425 257212418 /nfs/dbraw/zinc/21/24/18/257212418.db2.gz BCYRWBFBAGDLIB-NVNXTCNLSA-N 0 0 305.359 2.780 10 30 DFEERN Cc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1C ZINC000015566525 425783960 /nfs/dbraw/zinc/78/39/60/425783960.db2.gz LFSJUJZCAWAAJO-UHFFFAOYSA-N 0 0 307.353 2.544 10 30 DFEERN Clc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1 ZINC000016677835 425785957 /nfs/dbraw/zinc/78/59/57/425785957.db2.gz GZWWFMWOMCUHPY-UYRXBGFRSA-N 0 0 300.793 2.891 10 30 DFEERN COc1ccc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000013656699 425759211 /nfs/dbraw/zinc/75/92/11/425759211.db2.gz ZGSFPEWTKYAMHW-ZSXRWHDHSA-N 0 0 303.431 2.682 10 30 DFEERN CC1(C)CCN(c2cc3ccccc3nc2C#N)CC[S@@]1=O ZINC000334048043 268426653 /nfs/dbraw/zinc/42/66/53/268426653.db2.gz QRSHGQHGZAIWHM-QFIPXVFZSA-N 0 0 313.426 2.844 10 30 DFEERN C#Cc1csc(C(=O)Nc2c(C)c(OC)ccc2C(C)=O)n1 ZINC000071974027 426006993 /nfs/dbraw/zinc/00/69/93/426006993.db2.gz KOUOADGXCQSPEF-UHFFFAOYSA-N 0 0 314.366 2.896 10 30 DFEERN CN(c1cc(C#N)ccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074154 426362041 /nfs/dbraw/zinc/36/20/41/426362041.db2.gz OYQNTHHGHYVJJW-AWEZNQCLSA-N 0 0 316.405 2.789 10 30 DFEERN CC(C)(C)OC(=O)N1CC[C@@H](COc2ncccc2C#N)C1 ZINC000095084037 426364037 /nfs/dbraw/zinc/36/40/37/426364037.db2.gz UKNXMTVNEYMYSW-GFCCVEGCSA-N 0 0 303.362 2.589 10 30 DFEERN C=CCN(Cc1nccn1Cc1ccc(F)cc1)C(=O)NCC ZINC000096207002 426407149 /nfs/dbraw/zinc/40/71/49/426407149.db2.gz JDAOLAQAJREKOE-UHFFFAOYSA-N 0 0 316.380 2.788 10 30 DFEERN O=c1c(C=NO)c(SCc2ccccc2)nc2ccccn12 ZINC000254692683 427223205 /nfs/dbraw/zinc/22/32/05/427223205.db2.gz VHWJOKYPUMKXND-UHFFFAOYSA-N 0 0 311.366 2.795 10 30 DFEERN N#Cc1ccnc(N2CCC[C@@H]2Cc2cc(F)ccc2F)n1 ZINC000418982384 428925260 /nfs/dbraw/zinc/92/52/60/428925260.db2.gz RSRDQEWDFZQQNH-CQSZACIVSA-N 0 0 300.312 2.838 10 30 DFEERN N#Cc1c(I)c(F)ccc1OC(F)F ZINC000575658279 430088118 /nfs/dbraw/zinc/08/81/18/430088118.db2.gz FEBBSSRUSLFFNL-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1OC(F)F ZINC000575387123 430081506 /nfs/dbraw/zinc/08/15/06/430081506.db2.gz AQLWLCJTRORXEE-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575387111 430081536 /nfs/dbraw/zinc/08/15/36/430081536.db2.gz VTEPUISFCPCSAF-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1cc(C#N)c(OC(F)F)cc1OC(F)(F)F ZINC000575388568 430081629 /nfs/dbraw/zinc/08/16/29/430081629.db2.gz YJEPDYKXZNOLPB-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1ccc(OC)c(C#N)c1SC(F)(F)F ZINC000575394138 430082333 /nfs/dbraw/zinc/08/23/33/430082333.db2.gz FIBQSQNFISTXFA-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1OC ZINC000575394633 430082466 /nfs/dbraw/zinc/08/24/66/430082466.db2.gz PLUMREHJEGLIGN-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575395631 430082770 /nfs/dbraw/zinc/08/27/70/430082770.db2.gz LJWGMLQXWOQWOP-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1c(OC)ccc(C#N)c1OC(F)(F)F ZINC000575394470 430082880 /nfs/dbraw/zinc/08/28/80/430082880.db2.gz MFGCAOOOMBIQLY-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)c1cc([N+](=O)[O-])cc(SC(F)(F)F)c1C#N ZINC000575393857 430082959 /nfs/dbraw/zinc/08/29/59/430082959.db2.gz MEGCWYMVEOYBEK-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1OC(F)(F)F ZINC000575395158 430082983 /nfs/dbraw/zinc/08/29/83/430082983.db2.gz YOCYXDGTRFOXCV-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)c(OC)c1 ZINC000575394129 430083321 /nfs/dbraw/zinc/08/33/21/430083321.db2.gz DSHPAVTZWODMIC-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1OC(F)(F)F ZINC000575395856 430083862 /nfs/dbraw/zinc/08/38/62/430083862.db2.gz SLESEANGZAZSSZ-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000071974133 300874522 /nfs/dbraw/zinc/87/45/22/300874522.db2.gz DFFWENNZWHOWSC-LXKHFVGGSA-N 0 0 304.430 2.850 10 30 DFEERN CCOC(=O)c1cc(/C(C)=N/OC(=O)c2ccc(C)cc2)on1 ZINC000001047994 331465042 /nfs/dbraw/zinc/46/50/42/331465042.db2.gz USQLAEIWEGSACW-GZTJUZNOSA-N 0 0 316.313 2.741 10 30 DFEERN CC(C)(C#N)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000070139940 331649079 /nfs/dbraw/zinc/64/90/79/331649079.db2.gz OUYNQSNEVAKTSP-UHFFFAOYSA-N 0 0 309.772 2.539 10 30 DFEERN CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328648353 334745637 /nfs/dbraw/zinc/74/56/37/334745637.db2.gz IIYGKKJXCJPXRC-QWHCGFSZSA-N 0 0 309.410 2.633 10 30 DFEERN C[C@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ccncc1F ZINC000328664436 334746532 /nfs/dbraw/zinc/74/65/32/334746532.db2.gz BNPZITWSQXCWEC-IINYFYTJSA-N 0 0 317.368 2.596 10 30 DFEERN Cc1nc2c(nccc2C(=O)N[C@@H](CO)CC2CCCC2)[nH]1 ZINC000328703261 334749723 /nfs/dbraw/zinc/74/97/23/334749723.db2.gz XRDDQAMBXZITLX-GFCCVEGCSA-N 0 0 302.378 2.512 10 30 DFEERN O=C(CNC(=O)C1CCCCC1)N1CCC[C@@H](n2cccn2)C1 ZINC000328716668 334750655 /nfs/dbraw/zinc/75/06/55/334750655.db2.gz UDYXYGSGMNUJQP-OAHLLOKOSA-N 0 0 318.421 2.583 10 30 DFEERN O=C(C[C@H]1CCCCC(=O)N1)N[C@H]1c2ccccc2C[C@H]1O ZINC000328770583 334753387 /nfs/dbraw/zinc/75/33/87/334753387.db2.gz GTCCSEBBRGRCJT-MRRJBJDNSA-N 0 0 302.374 2.890 10 30 DFEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)N1CCCCC1=O ZINC000328777119 334753771 /nfs/dbraw/zinc/75/37/71/334753771.db2.gz SSLOOYHKZVMNFI-CHWSQXEVSA-N 0 0 309.410 2.633 10 30 DFEERN C[C@H](NC(=O)Nc1scnc1C1CC1)C(=O)N1CCCCC1 ZINC000328943653 334766413 /nfs/dbraw/zinc/76/64/13/334766413.db2.gz ULSMXLPLCITDTL-JTQLQIEISA-N 0 0 322.434 2.747 10 30 DFEERN O=C(NCC1(c2ccc(F)cc2)CCC1)N1CC(O)(C2CC2)C1 ZINC000329407287 335972702 /nfs/dbraw/zinc/97/27/02/335972702.db2.gz CEYIZHWXLSHLEC-UHFFFAOYSA-N 0 0 318.392 2.618 10 30 DFEERN C[C@]1(CNC(=O)N2CCC[C@H](c3nccs3)C2)CCOC1 ZINC000329479566 335981601 /nfs/dbraw/zinc/98/16/01/335981601.db2.gz VGHKXBNNGIZDJU-SWLSCSKDSA-N 0 0 309.435 2.663 10 30 DFEERN CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C ZINC000329480108 335982385 /nfs/dbraw/zinc/98/23/85/335982385.db2.gz VLHCCQMAJPLQPR-JFIYKMOQSA-N 0 0 322.449 2.938 10 30 DFEERN Cc1nc(-c2cccc(C(=O)N[C@]3(C)CCO[C@H]3C)c2)n[nH]1 ZINC000329763079 336079068 /nfs/dbraw/zinc/07/90/68/336079068.db2.gz UBQNKIJXHVSACK-MGPLVRAMSA-N 0 0 300.362 2.652 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1COc2ccccc2C1=O ZINC000329824657 336086588 /nfs/dbraw/zinc/08/65/88/336086588.db2.gz HWJJSPXSWQUTTJ-AAEUAGOBSA-N 0 0 316.357 2.734 10 30 DFEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C)C3)CCO2)o1 ZINC000329896248 336093393 /nfs/dbraw/zinc/09/33/93/336093393.db2.gz 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/nfs/dbraw/zinc/11/96/26/336119626.db2.gz VLECUXXNBPFRRH-XDQVBPFNSA-N 0 0 316.405 2.688 10 30 DFEERN CCNC(=O)C1(CNC(=O)c2csc3cncn32)CCC1 ZINC000330186480 336122095 /nfs/dbraw/zinc/12/20/95/336122095.db2.gz JURWEFLCMRRYLO-UHFFFAOYSA-N 0 0 306.391 2.847 10 30 DFEERN CCc1cnccc1[C@@H](C)NC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000330274522 336132376 /nfs/dbraw/zinc/13/23/76/336132376.db2.gz KGKINUVQSOJCOI-WQVCFCJDSA-N 0 0 303.406 2.872 10 30 DFEERN CCO/C(=C/C(=O)C#Cc1ccc(N)cc1)c1ccc(N)cc1 ZINC000584620643 337371086 /nfs/dbraw/zinc/37/10/86/337371086.db2.gz ZGHRXDDMZPIPEM-CPNJWEJPSA-N 0 0 306.365 2.849 10 30 DFEERN COC(=O)c1cnc(-c2ccc(C(F)(F)F)nc2)cc1C#N ZINC000584613168 337372592 /nfs/dbraw/zinc/37/25/92/337372592.db2.gz JQAPQNUWEKBERY-UHFFFAOYSA-N 0 0 307.231 2.821 10 30 DFEERN C#C[C@@]1(O)CC[C@H]2[C@@H]3[C@H](O)Cc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000584617845 337373039 /nfs/dbraw/zinc/37/30/39/337373039.db2.gz UTFFARAFGUSCPI-RKGSWTEASA-N 0 0 312.409 2.583 10 30 DFEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000584618857 337373358 /nfs/dbraw/zinc/37/33/58/337373358.db2.gz UKYGCHKEEJPHLP-UHFFFAOYSA-N 0 0 306.281 2.714 10 30 DFEERN CCOC(=O)COc1ccc(Cl)cc1C=C(C(C)=O)C(C)=O ZINC000584591388 337373379 /nfs/dbraw/zinc/37/33/79/337373379.db2.gz UOWBDILSJIZPAN-UHFFFAOYSA-N 0 0 324.760 2.843 10 30 DFEERN Cc1ccc(S(=O)(=O)OC[C@H]2Cc3occc3C(=O)C2)cc1 ZINC000584634517 337374631 /nfs/dbraw/zinc/37/46/31/337374631.db2.gz JEYUICNVBHYAEI-GFCCVEGCSA-N 0 0 320.366 2.739 10 30 DFEERN O=C1COCCN1c1ccc(/N=C/c2cc(F)ccc2O)cc1 ZINC000584661074 337378323 /nfs/dbraw/zinc/37/83/23/337378323.db2.gz JWXYTIYIIQJOJB-VXLYETTFSA-N 0 0 314.316 2.645 10 30 DFEERN N#CCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000036903353 337395140 /nfs/dbraw/zinc/39/51/40/337395140.db2.gz TZQRBEGQYJFNHZ-UHFFFAOYSA-N 0 0 311.179 2.614 10 30 DFEERN COc1cc(CN=NC(=S)NC2CCCCC2)ccc1O ZINC000056683651 522005091 /nfs/dbraw/zinc/00/50/91/522005091.db2.gz FABQFIDXBJDRQD-YBEGLDIGSA-N 0 0 307.419 2.943 10 30 DFEERN COc1ccc(N=CC(C(C)=O)C(=O)Nc2ccccc2)cn1 ZINC000006416819 524378735 /nfs/dbraw/zinc/37/87/35/524378735.db2.gz VTWCEPXGENILAQ-PTNGSMBKSA-N 0 0 311.341 2.614 10 30 DFEERN Cc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(C#N)cc2)c1 ZINC000219277653 398346593 /nfs/dbraw/zinc/34/65/93/398346593.db2.gz OEJBKIPZWIJWJW-UHFFFAOYSA-N 0 0 320.352 2.622 10 30 DFEERN C#CC[C@@H](NN)c1cc(Br)cc(Br)c1 ZINC000236283816 398361580 /nfs/dbraw/zinc/36/15/80/398361580.db2.gz MUYFBUTXEORZFI-SNVBAGLBSA-N 0 0 318.012 2.739 10 30 DFEERN CC(C)(O)C#C[C@](O)(c1ccncc1)c1ccc(Cl)cc1 ZINC000169343469 197744354 /nfs/dbraw/zinc/74/43/54/197744354.db2.gz HQEAQSGZXDEISG-QGZVFWFLSA-N 0 0 301.773 2.745 10 30 DFEERN O/N=C(/c1ccccc1)c1cccc(CCN2CCOCC2)c1 ZINC000029405440 398484870 /nfs/dbraw/zinc/48/48/70/398484870.db2.gz RAYQZOAYTWILBQ-VXPUYCOJSA-N 0 0 310.397 2.788 10 30 DFEERN COC(=O)c1ccc(C#N)c(I)c1Cl ZINC000306607286 398508471 /nfs/dbraw/zinc/50/84/71/398508471.db2.gz TWWYNXYACYXIHK-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN N#Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000083434139 192371203 /nfs/dbraw/zinc/37/12/03/192371203.db2.gz ZFPHKLGCLFMQQD-ZWKOTPCHSA-N 0 0 306.365 2.858 10 30 DFEERN N#C[C@H]1CCCC[C@H]1n1cc(I)cn1 ZINC000070677607 398594938 /nfs/dbraw/zinc/59/49/38/398594938.db2.gz JMTKTYJLVACXGM-PSASIEDQSA-N 0 0 301.131 2.743 10 30 DFEERN N#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1 ZINC000072128685 191043067 /nfs/dbraw/zinc/04/30/67/191043067.db2.gz QYZYODZZZGIMSS-UHFFFAOYSA-N 0 0 311.736 2.513 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@]1(O)c1cc(F)cc(C#N)c1 ZINC000113870424 398741346 /nfs/dbraw/zinc/74/13/46/398741346.db2.gz ONVKSKQYUWGKFN-MRXNPFEDSA-N 0 0 306.337 2.873 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@]1(O)c1cc(F)cc(C#N)c1 ZINC000113870427 398741495 /nfs/dbraw/zinc/74/14/95/398741495.db2.gz ONVKSKQYUWGKFN-INIZCTEOSA-N 0 0 306.337 2.873 10 30 DFEERN COc1cc(C#N)cc(I)c1OC(C)C ZINC000005727336 181276950 /nfs/dbraw/zinc/27/69/50/181276950.db2.gz VTVVKXNSOVNRRE-UHFFFAOYSA-N 0 0 317.126 2.959 10 30 DFEERN CCCCCOc1ccc(/C=N/NC(=S)NC)cc1OC ZINC000006050975 181308332 /nfs/dbraw/zinc/30/83/32/181308332.db2.gz VIIWFBWQROBXQQ-GZTJUZNOSA-N 0 0 309.435 2.692 10 30 DFEERN C=CCOc1ccc(CN=Nc2oc(C)nc2C#N)cc1OC ZINC000006861400 181398537 /nfs/dbraw/zinc/39/85/37/181398537.db2.gz ZKQIBGBJTXNDRD-VCHYOVAHSA-N 0 0 312.329 2.874 10 30 DFEERN C=C1CCC(NC(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000618256270 399053982 /nfs/dbraw/zinc/05/39/82/399053982.db2.gz FWDJXKRWHQDYSE-UHFFFAOYSA-N 0 0 300.402 2.752 10 30 DFEERN N#CCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000018895480 182102754 /nfs/dbraw/zinc/10/27/54/182102754.db2.gz MYQDJNFEVXDUKF-UHFFFAOYSA-N 0 0 306.318 2.529 10 30 DFEERN N/C(=N\O)c1cccnc1Sc1ccc(C(F)(F)F)cn1 ZINC000019233032 182110273 /nfs/dbraw/zinc/11/02/73/182110273.db2.gz MDDHYBGTTLQTDP-UHFFFAOYSA-N 0 0 314.292 2.741 10 30 DFEERN N#CCCN(c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000019804331 182152211 /nfs/dbraw/zinc/15/22/11/182152211.db2.gz HMANPCNDYXQFGU-UHFFFAOYSA-N 0 0 300.383 2.937 10 30 DFEERN C=C(C(=O)OCC)[C@H](O)c1ccc(OC)c(Br)c1 ZINC000019835404 182154534 /nfs/dbraw/zinc/15/45/34/182154534.db2.gz LGVIHMUFFFOMEL-LBPRGKRZSA-N 0 0 315.163 2.610 10 30 DFEERN C=C(C(=O)OCC)[C@H](O)c1ccc(Br)cc1F ZINC000019835623 182154823 /nfs/dbraw/zinc/15/48/23/182154823.db2.gz CVSCPOIKJNQTQS-NSHDSACASA-N 0 0 303.127 2.741 10 30 DFEERN C=C(C(=O)OCC)[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000019835403 182154969 /nfs/dbraw/zinc/15/49/69/182154969.db2.gz LGVIHMUFFFOMEL-GFCCVEGCSA-N 0 0 315.163 2.610 10 30 DFEERN C=C(Cl)CN1C(=O)C(=O)c2ccc(Br)cc21 ZINC000019967195 182170661 /nfs/dbraw/zinc/17/06/61/182170661.db2.gz LWKQZSOVACFXFE-UHFFFAOYSA-N 0 0 300.539 2.731 10 30 DFEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(Cl)cn2)cc1 ZINC000020361696 182211789 /nfs/dbraw/zinc/21/17/89/182211789.db2.gz GFFMINXCHVQQTP-UHFFFAOYSA-N 0 0 307.762 2.549 10 30 DFEERN CCCn1cc(Br)cc1C(=O)N(C)C[C@@H](C)C#N ZINC000037846023 182931666 /nfs/dbraw/zinc/93/16/66/182931666.db2.gz WOIWRPHGROSLEB-JTQLQIEISA-N 0 0 312.211 2.892 10 30 DFEERN N#C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000040216600 183046154 /nfs/dbraw/zinc/04/61/54/183046154.db2.gz GRVSKRDGIGSMGQ-SNVBAGLBSA-N 0 0 312.803 2.945 10 30 DFEERN COc1cccc(/C=N\NC(=S)NC2CCCCC2)c1OC ZINC000040847121 183141157 /nfs/dbraw/zinc/14/11/57/183141157.db2.gz IYYDEYULMCHNLK-BOPFTXTBSA-N 0 0 321.446 2.835 10 30 DFEERN C[C@](C#N)(Cc1ccc(Br)cc1)N1CCOCC1 ZINC000041543025 183201383 /nfs/dbraw/zinc/20/13/83/183201383.db2.gz ZFLNPCBPTFZXRC-CQSZACIVSA-N 0 0 309.207 2.606 10 30 DFEERN N#Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000616626100 399491366 /nfs/dbraw/zinc/49/13/66/399491366.db2.gz RBTREXOCIZUSFZ-HNNXBMFYSA-N 0 0 312.394 2.736 10 30 DFEERN C/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](S)C1 ZINC000059543033 257129143 /nfs/dbraw/zinc/12/91/43/257129143.db2.gz ZQWBMXVEMVZOQI-QQFZQELXSA-N 0 0 323.374 2.654 10 30 DFEERN O=c1oc(C#Cc2ccc(F)cc2)nc(O)c1-c1ccccc1 ZINC000095831243 296534700 /nfs/dbraw/zinc/53/47/00/296534700.db2.gz XGESJEYLIIEBEV-UHFFFAOYSA-N 0 0 307.280 2.946 10 30 DFEERN C=C(Br)Cn1cc(Br)cc(C)c1=O ZINC000156939354 425936567 /nfs/dbraw/zinc/93/65/67/425936567.db2.gz RXGIKNOOVAPVSR-UHFFFAOYSA-N 0 0 306.985 2.828 10 30 DFEERN C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)N1CCCCC1=O ZINC000329323544 267148225 /nfs/dbraw/zinc/14/82/25/267148225.db2.gz VBCLDLPAZWEELJ-SNVBAGLBSA-N 0 0 315.377 2.538 10 30 DFEERN O=C(/C=N/N1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000002013372 425588975 /nfs/dbraw/zinc/58/89/75/425588975.db2.gz PBFOGGGMMMMJPI-XMHGGMMESA-N 0 0 310.353 2.980 10 30 DFEERN [NH3+][C@@H](CS)CNc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000013745437 425762548 /nfs/dbraw/zinc/76/25/48/425762548.db2.gz SFLNPNDXGQBNLC-CQSZACIVSA-N 0 0 302.399 2.721 10 30 DFEERN O=CCN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098177534 426480578 /nfs/dbraw/zinc/48/05/78/426480578.db2.gz NVDXBJZUODAMIQ-UHFFFAOYSA-N 0 0 323.348 2.635 10 30 DFEERN CCCCCCCC(=O)N(c1ccc(N)cc1)S(C)(=O)=O ZINC000206612341 426546562 /nfs/dbraw/zinc/54/65/62/426546562.db2.gz QZXACMAENRGOPB-UHFFFAOYSA-N 0 0 312.435 2.922 10 30 DFEERN CCOC(=O)C(Br)N=Nc1ccc(F)cc1F ZINC000255003875 427233799 /nfs/dbraw/zinc/23/37/99/427233799.db2.gz DMRIDXGDMAOOMY-UHFFFAOYSA-N 0 0 307.094 2.648 10 30 DFEERN CC1=N[C@@H]2CCC3=C(C(=O)c4ccc(N)cc4)C=NC=CC3C2=N1 ZINC000257353625 427336610 /nfs/dbraw/zinc/33/66/10/427336610.db2.gz SDUUFOKIFWPHKH-QGZVFWFLSA-N 0 0 318.380 2.784 10 30 DFEERN N#Cc1ccc(F)c(OC(F)F)c1I ZINC000575660397 430088356 /nfs/dbraw/zinc/08/83/56/430088356.db2.gz YVROQEKZDWLHQG-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1c(F)c(I)ccc1OC(F)F ZINC000575659277 430088839 /nfs/dbraw/zinc/08/88/39/430088839.db2.gz LBGTYFJMQJJPBH-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1ccc([N+](=O)[O-])c(Br)c1Br ZINC000575694413 430092587 /nfs/dbraw/zinc/09/25/87/430092587.db2.gz KBIYLGYHLKKJTF-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN N#CCc1cc(I)c(N)c(OC(F)F)c1 ZINC000575717264 430096584 /nfs/dbraw/zinc/09/65/84/430096584.db2.gz OLAWGNKDHXVUCN-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1cc(Br)c(C#N)c(C(F)F)c1 ZINC000575341614 430078916 /nfs/dbraw/zinc/07/89/16/430078916.db2.gz MTGBMXXKFXLPNT-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1O ZINC000575392363 430081436 /nfs/dbraw/zinc/08/14/36/430081436.db2.gz WCEKWKPVXUYLKY-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1c(C#N)ccc(C=O)c1SC(F)(F)F ZINC000575391760 430081588 /nfs/dbraw/zinc/08/15/88/430081588.db2.gz SKQQDZQGMFPCTN-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1C=O ZINC000575391834 430081937 /nfs/dbraw/zinc/08/19/37/430081937.db2.gz WZQQXRFONONQIN-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575395704 430083358 /nfs/dbraw/zinc/08/33/58/430083358.db2.gz MCWDSXDYNVFJSF-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C#N ZINC000575395761 430083421 /nfs/dbraw/zinc/08/34/21/430083421.db2.gz PMZJBKZYZXXMEJ-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN C#C[C@]1(O)[C@@H](O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000575416158 430083931 /nfs/dbraw/zinc/08/39/31/430083931.db2.gz VSODIPLKPBLGCC-XGXHKTLJSA-N 0 0 312.409 2.583 10 30 DFEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395800 430083956 /nfs/dbraw/zinc/08/39/56/430083956.db2.gz RFHZWRNUVZQJJL-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575395850 430083962 /nfs/dbraw/zinc/08/39/62/430083962.db2.gz SDQPSJDIEBBBNM-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328643724 334745420 /nfs/dbraw/zinc/74/54/20/334745420.db2.gz GNBLHMQDMOPPFZ-NEPJUHHUSA-N 0 0 305.382 2.667 10 30 DFEERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328716869 334750593 /nfs/dbraw/zinc/75/05/93/334750593.db2.gz UGCISESBWURPST-OAHLLOKOSA-N 0 0 318.421 2.583 10 30 DFEERN C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000329074612 335937091 /nfs/dbraw/zinc/93/70/91/335937091.db2.gz BOJYIRGJOKDAEL-MQJDWESPSA-N 0 0 305.403 2.556 10 30 DFEERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329428104 335975189 /nfs/dbraw/zinc/97/51/89/335975189.db2.gz GODRBBGFJYXTSC-LBPRGKRZSA-N 0 0 313.405 2.932 10 30 DFEERN C[C@]1(CO)CCC[C@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000329500337 335985354 /nfs/dbraw/zinc/98/53/54/335985354.db2.gz FXMYKVDILGHFOV-RHSMWYFYSA-N 0 0 302.374 2.881 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)N3C[C@H]4CC[C@@H](C3)O4)sc2C1 ZINC000329656265 336029053 /nfs/dbraw/zinc/02/90/53/336029053.db2.gz GFCQCJSDSLTJGY-MXWKQRLJSA-N 0 0 307.419 2.677 10 30 DFEERN O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000329821191 336086142 /nfs/dbraw/zinc/08/61/42/336086142.db2.gz GTCCSEBBRGRCJT-HACGYAERSA-N 0 0 302.374 2.890 10 30 DFEERN O=C(NCCC1CCOCC1)N1CCO[C@H](c2ccsc2)C1 ZINC000329824738 336086703 /nfs/dbraw/zinc/08/67/03/336086703.db2.gz HYZLKFRKSOVSFD-HNNXBMFYSA-N 0 0 324.446 2.852 10 30 DFEERN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000330011026 336105813 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CCn1c(=O)[nH]c(=O)c(C(C)C)c1Oc1cc(C)cc(C#N)c1 ZINC000049033314 425878352 /nfs/dbraw/zinc/87/83/52/425878352.db2.gz AUHYONHOZDSKGH-UHFFFAOYSA-N 0 0 313.357 2.652 10 30 DFEERN CS(=O)(=O)OCc1nc(-c2ccccc2Cl)cs1 ZINC000166382549 426127072 /nfs/dbraw/zinc/12/70/72/426127072.db2.gz WISYFJYKVHWOLE-UHFFFAOYSA-N 0 0 303.792 2.940 10 30 DFEERN CN(c1ncccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074157 426362145 /nfs/dbraw/zinc/36/21/45/426362145.db2.gz ZAUUBMYTXVWFIU-AWEZNQCLSA-N 0 0 316.405 2.789 10 30 DFEERN N#Cc1ccc(Cn2c3ccccc3nc2N2CC[C@H](O)C2)cc1 ZINC000095077782 426363132 /nfs/dbraw/zinc/36/31/32/426363132.db2.gz WTZSMBTYLLMEPY-INIZCTEOSA-N 0 0 318.380 2.527 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc(C#N)ccn1 ZINC000095085851 426364208 /nfs/dbraw/zinc/36/42/08/426364208.db2.gz LVQXZTKHVQYTQG-CYBMUJFWSA-N 0 0 303.362 2.732 10 30 DFEERN Cc1cc(C)c(S(=O)(=O)NN=Cc2ccccc2O)c(C)c1 ZINC000254349931 427219078 /nfs/dbraw/zinc/21/90/78/427219078.db2.gz HEFRIWDMNXRZLJ-UHFFFAOYSA-N 0 0 318.398 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DFEERN COC(=O)Cc1cc(OC)c(SC(F)(F)F)cc1C#N ZINC000575394980 430082432 /nfs/dbraw/zinc/08/24/32/430082432.db2.gz QTKJXBJNQOZMRY-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575395463 430082832 /nfs/dbraw/zinc/08/28/32/430082832.db2.gz DEKCPQSWYJPISV-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOc1cc(CC#N)c(I)cc1C#N ZINC000575643891 430087573 /nfs/dbraw/zinc/08/75/73/430087573.db2.gz DGWNSMJWFQQLDS-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN Cc1nc(CN(C)C(=O)N[C@H]2CCCc3nn(C)cc32)cs1 ZINC000328666603 334746868 /nfs/dbraw/zinc/74/68/68/334746868.db2.gz CRBKZHMEWXOOJA-ZDUSSCGKSA-N 0 0 319.434 2.608 10 30 DFEERN CCCNC(=O)C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328686298 334748933 /nfs/dbraw/zinc/74/89/33/334748933.db2.gz YELQJVKOFJXMKM-AWEZNQCLSA-N 0 0 323.437 2.881 10 30 DFEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328699503 334749627 /nfs/dbraw/zinc/74/96/27/334749627.db2.gz MHAMKMRIGAYMSZ-DZGCQCFKSA-N 0 0 318.421 2.582 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336207564 /nfs/dbraw/zinc/20/75/64/336207564.db2.gz RKOMDEXUMUVZLB-AJTLQJAISA-N 0 0 319.449 2.915 10 30 DFEERN CO/N=C(\C)c1ccc(I)cc1[N+](=O)[O-] ZINC000584609430 337372014 /nfs/dbraw/zinc/37/20/14/337372014.db2.gz NHCUVEGXVJGHPS-IZZDOVSWSA-N 0 0 320.086 2.570 10 30 DFEERN Cc1ccc(S(=O)(=O)OC[C@@H](C)O[C@H]2CCCCO2)cc1 ZINC000014679791 525621827 /nfs/dbraw/zinc/62/18/27/525621827.db2.gz CIRBILLHZJTIAZ-HIFRSBDPSA-N 0 0 314.403 2.632 10 30 DFEERN CCOC(=O)c1csc(-c2cc(OCC)cnc2C#N)n1 ZINC000090473243 185298394 /nfs/dbraw/zinc/29/83/94/185298394.db2.gz JVONOJAGIWVUET-UHFFFAOYSA-N 0 0 303.343 2.652 10 30 DFEERN N#Cc1cnc2ccc(NCCN3CCOCC3)cc2c1Cl ZINC000090568239 185304100 /nfs/dbraw/zinc/30/41/00/185304100.db2.gz NXTXUCDBMOMEQS-UHFFFAOYSA-N 0 0 316.792 2.504 10 30 DFEERN N#Cc1cnc(C#N)c(Nc2cccc(Br)c2)n1 ZINC000090568392 185304224 /nfs/dbraw/zinc/30/42/24/185304224.db2.gz VGZISRACJOBWKU-UHFFFAOYSA-N 0 0 300.119 2.726 10 30 DFEERN O=C(/C=N/OCc1ccccc1)N1CCC2(C1)SCCS2 ZINC000042750521 398601514 /nfs/dbraw/zinc/60/15/14/398601514.db2.gz FALNKTLSZOSAAG-MHWRWJLKSA-N 0 0 322.455 2.598 10 30 DFEERN O=C(CCCC1CCN(C(=O)Nc2ccccc2)CC1)NO ZINC000071330728 398612043 /nfs/dbraw/zinc/61/20/43/398612043.db2.gz HUMIXIBITBNDHE-UHFFFAOYSA-N 0 0 305.378 2.606 10 30 DFEERN COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096341932 398659653 /nfs/dbraw/zinc/65/96/53/398659653.db2.gz LIGANSFRQYSUJS-UHFFFAOYSA-N 0 0 322.382 2.788 10 30 DFEERN N#Cc1cccc(NC(=O)COc2ccc(-n3ccnc3)cc2)c1 ZINC000003399016 181015200 /nfs/dbraw/zinc/01/52/00/181015200.db2.gz DMEUWIVXSIWBLR-UHFFFAOYSA-N 0 0 318.336 2.761 10 30 DFEERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N ZINC000003618545 181042269 /nfs/dbraw/zinc/04/22/69/181042269.db2.gz IFSRLJZTLKVTKH-LLVKDONJSA-N 0 0 311.297 2.872 10 30 DFEERN COc1ccc([C@H]2C(C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 ZINC000004637255 181130743 /nfs/dbraw/zinc/13/07/43/181130743.db2.gz HSHFAFOGURKNEQ-RCCFBDPRSA-N 0 0 318.369 2.540 10 30 DFEERN CC(C)(C)OC(=O)NCCCOc1cc([N+](=O)[O-])ccc1C#N ZINC000113659467 398740829 /nfs/dbraw/zinc/74/08/29/398740829.db2.gz GEVIRNFAVXCUMC-UHFFFAOYSA-N 0 0 321.333 2.760 10 30 DFEERN N#Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn32)c1 ZINC000115124303 398749951 /nfs/dbraw/zinc/74/99/51/398749951.db2.gz GZFJCWPZFJVHJK-UHFFFAOYSA-N 0 0 319.368 2.859 10 30 DFEERN CCCCCC#C[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000005244369 181221114 /nfs/dbraw/zinc/22/11/14/181221114.db2.gz HSFZRBBVEUFBGU-MJGOQNOKSA-N 0 0 317.429 2.607 10 30 DFEERN COC(=O)N1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000005255562 181222596 /nfs/dbraw/zinc/22/25/96/181222596.db2.gz XYNQOVXXTKCMQF-UHFFFAOYSA-N 0 0 321.402 2.729 10 30 DFEERN COc1ccc(C(F)(F)F)c(-c2ccnc(/C(N)=N\O)c2)c1 ZINC000117576830 398765990 /nfs/dbraw/zinc/76/59/90/398765990.db2.gz ZFQVZBXNKVZARW-UHFFFAOYSA-N 0 0 311.263 2.871 10 30 DFEERN CCN[C@@H](C#N)c1ncc(Br)cc1Br ZINC000129871361 398839658 /nfs/dbraw/zinc/83/96/58/398839658.db2.gz IYQVBDGZUNVQIW-QMMMGPOBSA-N 0 0 319.000 2.781 10 30 DFEERN C#C[C@@H](NCC)c1ncc(Br)cc1Br ZINC000133315174 398860748 /nfs/dbraw/zinc/86/07/48/398860748.db2.gz QJXJXVPQCSHZNR-SECBINFHSA-N 0 0 318.012 2.890 10 30 DFEERN Cc1ccc(S(=O)(=O)OCCOCCc2ccccc2)cc1 ZINC000147651825 398913185 /nfs/dbraw/zinc/91/31/85/398913185.db2.gz POMZSKWUKNCONL-UHFFFAOYSA-N 0 0 320.410 2.960 10 30 DFEERN C=CCN1c2ccc(NC(=O)CC(C)C)cc2O[C@@H](C)C1=O ZINC000012119882 181730844 /nfs/dbraw/zinc/73/08/44/181730844.db2.gz YBSWLRXHZQENGM-LBPRGKRZSA-N 0 0 302.374 2.971 10 30 DFEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000019987248 182174392 /nfs/dbraw/zinc/17/43/92/182174392.db2.gz NWTICTZBLGBPII-UHFFFAOYSA-N 0 0 308.309 2.778 10 30 DFEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(F)cc1F ZINC000020557183 182231467 /nfs/dbraw/zinc/23/14/67/182231467.db2.gz FSKBUBYMDSVLRD-UHFFFAOYSA-N 0 0 308.309 2.778 10 30 DFEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000020552372 182230785 /nfs/dbraw/zinc/23/07/85/182230785.db2.gz SSNFUYAYFWDNFZ-ZENOOKHLSA-N 0 0 306.431 2.802 10 30 DFEERN CCC(C)=[NH+]n1cc([O-])c(-c2nc3ccccc3s2)c1N ZINC000039963132 183025365 /nfs/dbraw/zinc/02/53/65/183025365.db2.gz KHOKTDDHPUJHRH-GIJQJNRQSA-N 0 0 300.387 2.594 10 30 DFEERN C=C(C)Cn1c(CCNC(=O)c2ccncc2)nc2ccccc21 ZINC000040184091 183044739 /nfs/dbraw/zinc/04/47/39/183044739.db2.gz ZTAWDGFMACRLPT-UHFFFAOYSA-N 0 0 320.396 2.980 10 30 DFEERN C=CCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-] ZINC000040599057 183108174 /nfs/dbraw/zinc/10/81/74/183108174.db2.gz RWCNOVMJFKGCGK-UHFFFAOYSA-N 0 0 302.290 2.784 10 30 DFEERN Cc1nn(CC[C@@](C)(C#N)NC2CC2)c(C)c1Br ZINC000050594764 183790145 /nfs/dbraw/zinc/79/01/45/183790145.db2.gz VMLDPGZZJCNSMD-ZDUSSCGKSA-N 0 0 311.227 2.687 10 30 DFEERN N#Cc1ccccc1CN1Cc2ccnn2[C@@H](COCC2CC2)C1 ZINC000247646359 257118399 /nfs/dbraw/zinc/11/83/99/257118399.db2.gz KHUZJFDMEXMMTL-LJQANCHMSA-N 0 0 322.412 2.738 10 30 DFEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000256427189 257104308 /nfs/dbraw/zinc/10/43/08/257104308.db2.gz 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CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O ZINC000002701586 425600720 /nfs/dbraw/zinc/60/07/20/425600720.db2.gz OPPYEOFJBSMVGZ-HNNXBMFYSA-N 0 0 300.358 2.732 10 30 DFEERN CCNc1c(Br)cnc(Cl)c1NC(=O)CC#N ZINC000095080593 426363042 /nfs/dbraw/zinc/36/30/42/426363042.db2.gz VMPXWJFBEVLLSB-UHFFFAOYSA-N 0 0 317.574 2.781 10 30 DFEERN N#Cc1ccccc1Cn1c2ccccc2nc1N1CC[C@@H](O)C1 ZINC000095077704 426363196 /nfs/dbraw/zinc/36/31/96/426363196.db2.gz YJKGSKHPDKTNCS-MRXNPFEDSA-N 0 0 318.380 2.527 10 30 DFEERN CC(=O)Nc1ccc(/C(C)=N\OCC(=O)N[C@@H](C)C(C)C)cc1 ZINC000098003229 426475604 /nfs/dbraw/zinc/47/56/04/426475604.db2.gz LNSRVULGUAMQRC-HLBVEJKMSA-N 0 0 319.405 2.546 10 30 DFEERN CCCc1ccc(S(=O)(=O)NN=Cc2ccccc2O)cc1 ZINC000254378550 427219041 /nfs/dbraw/zinc/21/90/41/427219041.db2.gz JYPVOSGEHXOJHG-UHFFFAOYSA-N 0 0 318.398 2.657 10 30 DFEERN N#Cc1cc(F)c(OC(F)F)c(I)c1 ZINC000575659289 430088522 /nfs/dbraw/zinc/08/85/22/430088522.db2.gz LFXKLJMNJQDMOV-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1ccc(OC(F)F)c(F)c1I ZINC000575658333 430089117 /nfs/dbraw/zinc/08/91/17/430089117.db2.gz FUVYUOKSHPBHCU-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#CCc1ccc(I)c(N)c1OC(F)F ZINC000575717956 430097260 /nfs/dbraw/zinc/09/72/60/430097260.db2.gz WMTFXFPHAOYHMP-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C#Cc2ccccc2)cc1 ZINC000575150620 430055545 /nfs/dbraw/zinc/05/55/45/430055545.db2.gz ZBASDQGPGGZEIQ-PKOBYXMFSA-N 0 0 305.377 2.999 10 30 DFEERN COC(=O)Cc1ccc(C(F)F)c(C#N)c1Br ZINC000575382740 430080324 /nfs/dbraw/zinc/08/03/24/430080324.db2.gz IDDDZALNVXPGRV-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN CCOC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1OC ZINC000575394040 430082683 /nfs/dbraw/zinc/08/26/83/430082683.db2.gz GARNIOJVQILILA-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1OC(F)(F)F ZINC000575395410 430082746 /nfs/dbraw/zinc/08/27/46/430082746.db2.gz BUDMNSOZPHXWIJ-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOc1cc(C#N)cc(CC#N)c1I ZINC000575648858 430086871 /nfs/dbraw/zinc/08/68/71/430086871.db2.gz VJRWFWMLXOTPEJ-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN CCOc1cc(C#N)cc(I)c1CC#N ZINC000575644651 430087109 /nfs/dbraw/zinc/08/71/09/430087109.db2.gz HPAXZOXPWDDXFI-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN CC(C)(Oc1ccc(Br)cc1Cl)C(=O)NO ZINC000226290845 277319813 /nfs/dbraw/zinc/31/98/13/277319813.db2.gz ZNGOVHMOBAZYEK-UHFFFAOYSA-N 0 0 308.559 2.765 10 30 DFEERN N#CCCN(Cc1cccnc1)C(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000104308166 303152997 /nfs/dbraw/zinc/15/29/97/303152997.db2.gz AONWKZLKWQYGAS-IMJJTQAJSA-N 0 0 312.442 2.636 10 30 DFEERN CC(C)C(=O)NC1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328685568 334748848 /nfs/dbraw/zinc/74/88/48/334748848.db2.gz XONZHTWWBGBMQT-AWEZNQCLSA-N 0 0 323.437 2.879 10 30 DFEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1(C)C ZINC000328760523 334752373 /nfs/dbraw/zinc/75/23/73/334752373.db2.gz XNHADMSPZZREGD-AVRGHOLYSA-N 0 0 310.438 2.794 10 30 DFEERN C[C@]1(C(=O)NC2CCN(c3nccs3)CC2)CCCNC1=O ZINC000328838515 334758965 /nfs/dbraw/zinc/75/89/65/334758965.db2.gz TZRFJVLZAINACT-HNNXBMFYSA-N 0 0 322.434 2.825 10 30 DFEERN Cc1nc(CN(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cs1 ZINC000328878163 334762843 /nfs/dbraw/zinc/76/28/43/334762843.db2.gz KWIIBBPYDSJYSW-TZMCWYRMSA-N 0 0 322.434 2.695 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)NCCc1cn2c(n1)CCCC2 ZINC000329257839 335956509 /nfs/dbraw/zinc/95/65/09/335956509.db2.gz YFGBNIAOWZRCNH-ZDUSSCGKSA-N 0 0 318.421 2.865 10 30 DFEERN C[C@H](C(=O)NCC1(c2ccncc2)CCCC1)N1CCOCC1 ZINC000329283713 335959733 /nfs/dbraw/zinc/95/97/33/335959733.db2.gz OCQSSVKRBREZQW-OAHLLOKOSA-N 0 0 317.433 2.571 10 30 DFEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329320846 335963983 /nfs/dbraw/zinc/96/39/83/335963983.db2.gz FCUMBGZNHWIIJV-FMCLSXCISA-N 0 0 306.410 2.716 10 30 DFEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2COc3ccccc32)no1 ZINC000329368863 335968865 /nfs/dbraw/zinc/96/88/65/335968865.db2.gz JHUPANCFUMLQAX-OLZOCXBDSA-N 0 0 314.345 2.563 10 30 DFEERN CC(C)C[C@@H]1C[C@H](NC(=O)c2cnn3ccncc23)CCO1 ZINC000329394446 335971307 /nfs/dbraw/zinc/97/13/07/335971307.db2.gz VGEMZUMFUGZVHR-CHWSQXEVSA-N 0 0 302.378 2.628 10 30 DFEERN C[C@H]1CCc2nc(NC(=O)c3cnn4ccncc34)sc2C1 ZINC000329505227 335985540 /nfs/dbraw/zinc/98/55/40/335985540.db2.gz ZIMJCJIXQWZMIB-VIFPVBQESA-N 0 0 313.386 2.947 10 30 DFEERN CC(C)c1nnc(CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)s1 ZINC000329510827 335987331 /nfs/dbraw/zinc/98/73/31/335987331.db2.gz XMIYBBFISSVSPT-JTQLQIEISA-N 0 0 322.438 2.502 10 30 DFEERN Cn1nc2c(c1CNC(=O)[C@@]1(C)CCCNC1=O)CCCC2 ZINC000329641244 336025676 /nfs/dbraw/zinc/02/56/76/336025676.db2.gz XOVKYVMOKWNGTK-INIZCTEOSA-N 0 0 304.394 2.512 10 30 DFEERN COc1ccc(NC(=O)C[C@@H]2CCOC2)cc1N1CCCC1=O ZINC000329781392 336081050 /nfs/dbraw/zinc/08/10/50/336081050.db2.gz NEPPZMMARWYMCB-LBPRGKRZSA-N 0 0 318.373 2.837 10 30 DFEERN O=C(N[C@H]1CCCc2c(O)cccc21)[C@H]1CCCCS1(=O)=O ZINC000330037280 336108159 /nfs/dbraw/zinc/10/81/59/336108159.db2.gz DEBXIVGIPIISSD-DZGCQCFKSA-N 0 0 323.414 2.693 10 30 DFEERN C[C@@H]1CN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000330083408 336112038 /nfs/dbraw/zinc/11/20/38/336112038.db2.gz QNDJRJMNEDJASC-MUIFIZLQSA-N 0 0 318.417 2.787 10 30 DFEERN Cc1noc(C)c1NC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000330131953 336116365 /nfs/dbraw/zinc/11/63/65/336116365.db2.gz QBHROLURUMSTIM-CYBMUJFWSA-N 0 0 317.393 2.525 10 30 DFEERN CN(CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(C2CC2)C1=O ZINC000330149542 336118145 /nfs/dbraw/zinc/11/81/45/336118145.db2.gz KFSCKTVGQGZNDV-CQSZACIVSA-N 0 0 321.808 2.623 10 30 DFEERN C[C@]1(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCCNC1=O ZINC000330297504 336137291 /nfs/dbraw/zinc/13/72/91/336137291.db2.gz GWPOKUGTEKWAQO-BYCMXARLSA-N 0 0 312.435 2.754 10 30 DFEERN C#C[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000584617854 337373156 /nfs/dbraw/zinc/37/31/56/337373156.db2.gz VSODIPLKPBLGCC-BOQPXBONSA-N 0 0 312.409 2.583 10 30 DFEERN CC(C)(C)OC(=O)[C@H](C#N)c1ccc(OC(F)(F)F)cn1 ZINC000584628409 337376389 /nfs/dbraw/zinc/37/63/89/337376389.db2.gz FSURULHIPVYYRR-SECBINFHSA-N 0 0 302.252 2.929 10 30 DFEERN COc1ccc(S(=O)(=O)[C@@H](C#N)c2cccnc2Cl)cc1 ZINC000584633353 337377416 /nfs/dbraw/zinc/37/74/16/337377416.db2.gz GALKOZHRHAEPDT-ZDUSSCGKSA-N 0 0 322.773 2.782 10 30 DFEERN CC(=O)O[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640559 337379981 /nfs/dbraw/zinc/37/99/81/337379981.db2.gz BRDSREBOMOCVNJ-SWLSCSKDSA-N 0 0 309.369 2.884 10 30 DFEERN CCCCOc1ccc(C=NNc2nc(C)cc(=O)[nH]2)cc1 ZINC000033391812 520855649 /nfs/dbraw/zinc/85/56/49/520855649.db2.gz KGRHXIRDKFWPCF-BOPFTXTBSA-N 0 0 300.362 2.703 10 30 DFEERN C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000004706360 560199746 /nfs/dbraw/zinc/19/97/46/560199746.db2.gz JCEUDJXAQHPZGL-PLOWYNNNSA-N 0 0 300.398 2.978 10 30 in-vitro DFEERN Cn1c2ccccc2c(C(=O)Nc2ccccc2C#N)cc1=O ZINC000074715150 185011639 /nfs/dbraw/zinc/01/16/39/185011639.db2.gz ZIPOLFLYVJOWPJ-UHFFFAOYSA-N 0 0 303.321 2.662 10 30 DFEERN CN[C@H](C#N)c1ccc(Br)c(Br)c1 ZINC000234450178 398359823 /nfs/dbraw/zinc/35/98/23/398359823.db2.gz RTKFYSTXVHDCEM-SECBINFHSA-N 0 0 303.985 2.996 10 30 DFEERN CCN(C(C)=O)c1ccc(-c2ccnc3c(C#N)cnn32)cc1 ZINC000141154806 186029494 /nfs/dbraw/zinc/02/94/94/186029494.db2.gz GFTLXXHFTDZNTF-UHFFFAOYSA-N 0 0 305.341 2.641 10 30 DFEERN N#Cc1cnc2c(-c3ccccc3)c(C(F)(F)F)nn2c1N ZINC000072417381 191155137 /nfs/dbraw/zinc/15/51/37/191155137.db2.gz GADGUJZECAMVLW-UHFFFAOYSA-N 0 0 303.247 2.869 10 30 DFEERN N#Cc1cc(Cl)ccc1NC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000072446287 191169285 /nfs/dbraw/zinc/16/92/85/191169285.db2.gz IXPLDQWIZPUKCZ-UHFFFAOYSA-N 0 0 313.744 2.641 10 30 DFEERN CSc1nnc(SCC(=O)Nc2cccc(C#N)c2)s1 ZINC000003552077 181033281 /nfs/dbraw/zinc/03/32/81/181033281.db2.gz RGWWZTCZBFODSQ-UHFFFAOYSA-N 0 0 322.440 2.862 10 30 DFEERN CCOC(=O)N1CCc2c(C#N)c(NC(=O)C(C)C)sc2C1 ZINC000004281024 181092057 /nfs/dbraw/zinc/09/20/57/181092057.db2.gz KBWIHGUKJHVWIG-UHFFFAOYSA-N 0 0 321.402 2.729 10 30 DFEERN C[C@@H](O)CC[C@](C#N)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000006036467 181307163 /nfs/dbraw/zinc/30/71/63/181307163.db2.gz HIUOATAFAFIXAL-DOMZBBRYSA-N 0 0 304.781 2.554 10 30 DFEERN C=CC[NH2+][C@@H](CC(=O)Nc1ccc(CCCC)cc1)C(=O)[O-] ZINC000006592971 181358427 /nfs/dbraw/zinc/35/84/27/181358427.db2.gz BPEHLCIAADHSNW-HNNXBMFYSA-N 0 0 304.390 2.587 10 30 DFEERN CCCC(=O)Nc1ccc(C(=O)N(CCC#N)CCC#N)cc1 ZINC000006592836 181358498 /nfs/dbraw/zinc/35/84/98/181358498.db2.gz BQCMOWKTYTZJJD-UHFFFAOYSA-N 0 0 312.373 2.695 10 30 DFEERN Cc1ccc(NC(=S)N/N=C/c2ccc(O)c(O)c2)cc1 ZINC000007010819 181432072 /nfs/dbraw/zinc/43/20/72/181432072.db2.gz HYZRRSCUJZIAFJ-CXUHLZMHSA-N 0 0 301.371 2.727 10 30 DFEERN O=c1oc(C#Cc2ccccc2)nc(O)c1-c1ccccc1F ZINC000095835507 193448649 /nfs/dbraw/zinc/44/86/49/193448649.db2.gz SSSRCPYLUBSBPW-UHFFFAOYSA-N 0 0 307.280 2.946 10 30 DFEERN C=CCN1c2ccc(Br)cc2C2(OCCCO2)C1=O ZINC000008046634 181522664 /nfs/dbraw/zinc/52/26/64/181522664.db2.gz YYMWOAATZUJBKY-UHFFFAOYSA-N 0 0 324.174 2.571 10 30 DFEERN CCSc1nc2n(n1)[C@@H](c1cc[nH]c1)C1C(=O)CCCC1=N2 ZINC000017053390 182071534 /nfs/dbraw/zinc/07/15/34/182071534.db2.gz ISQYFGXEGBJOEV-ZDUSSCGKSA-N 0 0 315.402 2.740 10 30 DFEERN C=CCn1c(COC)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000020426194 182215949 /nfs/dbraw/zinc/21/59/49/182215949.db2.gz SSZLFJOKAYVOBW-UHFFFAOYSA-N 0 0 320.374 2.811 10 30 DFEERN CSc1nn(-c2ccc(Br)cc2)c(N)c1C#N ZINC000036929498 182853002 /nfs/dbraw/zinc/85/30/02/182853002.db2.gz SGSPCJQJICYTPE-UHFFFAOYSA-N 0 0 309.192 2.811 10 30 DFEERN C[C@@](C#N)(CCc1ccc2c(c1)OCO2)NCC(F)(F)F ZINC000037970916 182945675 /nfs/dbraw/zinc/94/56/75/182945675.db2.gz MYXCNSARTUMFDQ-ZDUSSCGKSA-N 0 0 300.280 2.782 10 30 DFEERN C#CCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040200087 183045278 /nfs/dbraw/zinc/04/52/78/183045278.db2.gz RGKIGIQDGNSCAX-UHFFFAOYSA-N 0 0 317.392 2.950 10 30 DFEERN C=CCNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040598984 183108036 /nfs/dbraw/zinc/10/80/36/183108036.db2.gz YMNYMVDXWYCGMQ-UHFFFAOYSA-N 0 0 303.297 2.734 10 30 DFEERN C=CCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O ZINC000040841260 183140777 /nfs/dbraw/zinc/14/07/77/183140777.db2.gz HDAJHDYTVFJUEW-LCYFTJDESA-N 0 0 305.355 2.926 10 30 DFEERN CCN(CC/C(N)=N/O)Cc1cc(Br)ccc1F ZINC000042452348 183271679 /nfs/dbraw/zinc/27/16/79/183271679.db2.gz YZGHSULCEAIXAM-UHFFFAOYSA-N 0 0 318.190 2.547 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncccc2C#N)C1 ZINC000043220269 183344882 /nfs/dbraw/zinc/34/48/82/183344882.db2.gz JEMXUUPRERKKJV-CYBMUJFWSA-N 0 0 303.362 2.732 10 30 DFEERN CN(Cc1cccc(C#N)c1)c1ncc(Br)cc1N ZINC000061979736 184199671 /nfs/dbraw/zinc/19/96/71/184199671.db2.gz QMHBBLGLHIBQCN-UHFFFAOYSA-N 0 0 317.190 2.934 10 30 DFEERN Cc1nnc(Sc2ccc(/C(N)=N/O)cc2Cl)s1 ZINC000062795010 184253756 /nfs/dbraw/zinc/25/37/56/184253756.db2.gz AAYAYHPAPNRKQB-UHFFFAOYSA-N 0 0 300.796 2.746 10 30 DFEERN C=CCn1c(COc2ccc([N+](=O)[O-])c(C)c2)n[nH]c1=S ZINC000064872464 184305423 /nfs/dbraw/zinc/30/54/23/184305423.db2.gz ACENAWRISPOTBS-UHFFFAOYSA-N 0 0 306.347 2.922 10 30 DFEERN CC(C)(C)OC(=O)N1CCOC[C@H](c2ccc(C#N)cc2)C1 ZINC000616662023 399495523 /nfs/dbraw/zinc/49/55/23/399495523.db2.gz DOHJYLIQOONRME-OAHLLOKOSA-N 0 0 302.374 2.909 10 30 DFEERN N#Cc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1 ZINC000015567676 425783344 /nfs/dbraw/zinc/78/33/44/425783344.db2.gz IVOTTWLJHDYHMV-UHFFFAOYSA-N 0 0 313.744 2.580 10 30 DFEERN Cc1ccc(NC(=S)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 ZINC000033320063 425841803 /nfs/dbraw/zinc/84/18/03/425841803.db2.gz UGRRTVDSIGJRQI-ZSOIEALJSA-N 0 0 304.331 2.817 10 30 DFEERN N#Cc1nc2ccccc2cc1N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000334060238 268326761 /nfs/dbraw/zinc/32/67/61/268326761.db2.gz YFOSWFFTMUQGBR-KBXCAEBGSA-N 0 0 309.369 2.856 10 30 DFEERN CC(C)(C)OC(=O)NC[C@@H](C=O)Cc1ccc2c(c1)CCO2 ZINC000098095878 426478205 /nfs/dbraw/zinc/47/82/05/426478205.db2.gz ALEYSSDQNBRKAK-ZDUSSCGKSA-N 0 0 305.374 2.504 10 30 DFEERN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC#N)c2C(N)=O)C1 ZINC000226306958 426618861 /nfs/dbraw/zinc/61/88/61/426618861.db2.gz MTMMQABGNFSJPY-VIFPVBQESA-N 0 0 319.430 2.850 10 30 DFEERN CSc1nnc(C(F)F)n1N=Cc1ccc(N(C)C)cc1 ZINC000254294269 427220089 /nfs/dbraw/zinc/22/00/89/427220089.db2.gz HVDHFLPINFJRKN-UHFFFAOYSA-N 0 0 311.361 2.886 10 30 DFEERN FC(F)C(F)(F)Oc1cccc(C=NN2CN=NC2=S)c1 ZINC000254559216 427222336 /nfs/dbraw/zinc/22/23/36/427222336.db2.gz ZDWKKGPIPDCZDS-UHFFFAOYSA-N 0 0 320.271 2.686 10 30 DFEERN c1ccc2c(c1)cccc2-n1nnnc1N=NCc1ccncc1 ZINC000254808329 427224245 /nfs/dbraw/zinc/22/42/45/427224245.db2.gz QIJRFRBMVWZFMK-UHFFFAOYSA-N 0 0 315.340 2.657 10 30 DFEERN O=S(=O)(NN=Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000254799679 427225641 /nfs/dbraw/zinc/22/56/41/427225641.db2.gz HVNVXUMGFHKMIF-UHFFFAOYSA-N 0 0 312.753 2.792 10 30 DFEERN N#Cc1cc(I)c(OC(F)F)cc1F ZINC000575659310 430089095 /nfs/dbraw/zinc/08/90/95/430089095.db2.gz MHNGCYZCWGRRSC-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1cc(I)cc(F)c1OC(F)F ZINC000575659875 430089312 /nfs/dbraw/zinc/08/93/12/430089312.db2.gz SWEYPGMUPMKCIZ-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1cc([N+](=O)[O-])c(Br)cc1Br ZINC000575694359 430092238 /nfs/dbraw/zinc/09/22/38/430092238.db2.gz JHFOPGSETFTEIW-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN CCOc1c(CC#N)cc(I)cc1OC ZINC000575697904 430094861 /nfs/dbraw/zinc/09/48/61/430094861.db2.gz RNNPPMPEZMASBR-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN N#CCc1cc(I)cc(OC(F)F)c1N ZINC000575716271 430096933 /nfs/dbraw/zinc/09/69/33/430096933.db2.gz BQOKKEJQTNYAJP-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN N#CCc1cc(OC(F)F)cc(I)c1N ZINC000575717630 430097179 /nfs/dbraw/zinc/09/71/79/430097179.db2.gz UVUUMLAHXLQCGS-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1cc(Br)c(C#N)cc1C(F)F ZINC000575341617 430078361 /nfs/dbraw/zinc/07/83/61/430078361.db2.gz NWGJFAMMURGAOE-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1c(C#N)cc(Br)cc1C(F)F ZINC000575341635 430078507 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ZINC000329160022 333334281 /nfs/dbraw/zinc/33/42/81/333334281.db2.gz FAVHXSCHEOXKBT-ZETCQYMHSA-N 0 0 315.171 2.907 10 30 DFEERN CN1C[C@H](CNC(=O)c2cn3c(n2)CCCC3)Cc2ccccc21 ZINC000328729642 334753979 /nfs/dbraw/zinc/75/39/79/334753979.db2.gz WEVBOFMBLCBSEJ-AWEZNQCLSA-N 0 0 324.428 2.833 10 30 DFEERN C[C@H]1CCc2nc(NC(=O)NCCC3(O)CCC3)sc2C1 ZINC000328815309 334755421 /nfs/dbraw/zinc/75/54/21/334755421.db2.gz CIVKCIQUYNQSBY-JTQLQIEISA-N 0 0 309.435 2.899 10 30 DFEERN Cn1cncc1CCC(=O)NCc1nc2c(s1)CCCC2 ZINC000328831110 334758502 /nfs/dbraw/zinc/75/85/02/334758502.db2.gz KWOKIXPWNFVICO-UHFFFAOYSA-N 0 0 304.419 2.845 10 30 DFEERN O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329242189 335954990 /nfs/dbraw/zinc/95/49/90/335954990.db2.gz ODDXMUDPMPEREG-KRWDZBQOSA-N 0 0 315.373 2.595 10 30 DFEERN O=C(N[C@H]1CCc2c1cccc2Cl)N1CC(O)(C2CC2)C1 ZINC000329259199 335956763 /nfs/dbraw/zinc/95/67/63/335956763.db2.gz YPGUPKABCOAATH-AWEZNQCLSA-N 0 0 306.793 2.698 10 30 DFEERN CC[C@H](CNC(=O)N1CC(O)(C2CC2)C1)Oc1ccccc1C ZINC000329296695 335960963 /nfs/dbraw/zinc/96/09/63/335960963.db2.gz TUJYGXNXQDVOBQ-OAHLLOKOSA-N 0 0 318.417 2.523 10 30 DFEERN O=C(NCC1C2CC3CC(C2)CC1C3)N1CCC[C@@](F)(CO)C1 ZINC000329316440 335963259 /nfs/dbraw/zinc/96/32/59/335963259.db2.gz CZXPTXDKFBYIIW-ZDXCPUMJSA-N 0 0 324.440 2.769 10 30 DFEERN O=C(NCCC1CCOCC1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000329352739 335967456 /nfs/dbraw/zinc/96/74/56/335967456.db2.gz URRCRZKEAYAOPH-CQSZACIVSA-N 0 0 306.410 2.667 10 30 DFEERN O=C(NCC1(c2ccccc2Cl)CC1)N1CC(O)(C2CC2)C1 ZINC000329378021 335969533 /nfs/dbraw/zinc/96/95/33/335969533.db2.gz MHGANIJSFZZGCR-UHFFFAOYSA-N 0 0 320.820 2.742 10 30 DFEERN C[C@H]1CCc2nc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)sc2C1 ZINC000329693670 336052314 /nfs/dbraw/zinc/05/23/14/336052314.db2.gz WUDLXZONPHIKPO-GARJFASQSA-N 0 0 307.419 2.531 10 30 DFEERN Cn1ncc(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)c1C1CC1 ZINC000329986525 336102982 /nfs/dbraw/zinc/10/29/82/336102982.db2.gz FJCIDOXLUOXGCX-ZDUSSCGKSA-N 0 0 324.428 2.911 10 30 DFEERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnn3ccncc23)C1 ZINC000330002426 336104789 /nfs/dbraw/zinc/10/47/89/336104789.db2.gz BBBNPLPLEBGZOG-SJKOYZFVSA-N 0 0 316.405 2.611 10 30 DFEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N2CCOCC2)C12CCCCC2 ZINC000330053661 336109639 /nfs/dbraw/zinc/10/96/39/336109639.db2.gz QTJBTZCCKXNKEI-OWCLPIDISA-N 0 0 324.465 2.792 10 30 DFEERN Cc1nc(C2CC2)oc1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000330102008 336113680 /nfs/dbraw/zinc/11/36/80/336113680.db2.gz FNTUTWKVODNYTJ-UHFFFAOYSA-N 0 0 315.255 2.502 10 30 DFEERN Cc1ccccc1[C@H](C)NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330105521 336113876 /nfs/dbraw/zinc/11/38/76/336113876.db2.gz JOCAYCQCZANHPM-STQMWFEESA-N 0 0 300.362 2.614 10 30 DFEERN Cc1ccc(Cl)cc1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330118210 336114863 /nfs/dbraw/zinc/11/48/63/336114863.db2.gz YETUXZAPVVCCRG-ZDUSSCGKSA-N 0 0 320.780 2.706 10 30 DFEERN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)NC1CCOCC1 ZINC000330203798 336124029 /nfs/dbraw/zinc/12/40/29/336124029.db2.gz BCIGKHZCCSLKIC-SJORKVTESA-N 0 0 318.417 2.807 10 30 DFEERN C[C@@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000330251170 336129852 /nfs/dbraw/zinc/12/98/52/336129852.db2.gz NIZZZJOPYOYURA-CYBMUJFWSA-N 0 0 314.429 2.997 10 30 DFEERN Cc1ccc(C[C@H](C)NC(=O)N2CC(O)(C3CC3)C2)c(C)c1 ZINC000330264598 336131417 /nfs/dbraw/zinc/13/14/17/336131417.db2.gz YDACPDDWYNVKHU-AWEZNQCLSA-N 0 0 302.418 2.605 10 30 DFEERN C[C@@]1(C(=O)NCc2nnc(C3CC3)n2C2CC2)CCCNC1=O ZINC000330302031 336145605 /nfs/dbraw/zinc/14/56/05/336145605.db2.gz JHJGWUSNFLBYCB-MRXNPFEDSA-N 0 0 317.393 2.704 10 30 DFEERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330309358 336146400 /nfs/dbraw/zinc/14/64/00/336146400.db2.gz MUEVTSNYCUKQMU-OFQRWUPVSA-N 0 0 316.401 2.811 10 30 DFEERN C#CCCCCOS(=O)(=O)c1ccc(Br)cc1 ZINC000584604911 337371493 /nfs/dbraw/zinc/37/14/93/337371493.db2.gz CZNKBJLXLZSTRN-UHFFFAOYSA-N 0 0 317.204 2.958 10 30 DFEERN Cc1c2cc(C#N)cc(-c3ccc(CO)cc3)c2n(C)c1C(N)=O ZINC000584618862 337373329 /nfs/dbraw/zinc/37/33/29/337373329.db2.gz UMOOFBOQKQDREI-UHFFFAOYSA-N 0 0 319.364 2.617 10 30 DFEERN COC(=O)c1cc(F)c(Br)c(C#N)c1NC1CC1 ZINC000584598251 337374599 /nfs/dbraw/zinc/37/45/99/337374599.db2.gz LHPKHMNTSHHGHN-UHFFFAOYSA-N 0 0 313.126 2.821 10 30 DFEERN COc1ccc(CNC(=O)[C@H]2C[C@@H]2C#Cc2ccccc2)cc1 ZINC000575150619 341781653 /nfs/dbraw/zinc/78/16/53/341781653.db2.gz ZBASDQGPGGZEIQ-HKUYNNGSSA-N 0 0 305.377 2.999 10 30 DFEERN C/C(=N/OCC(=O)NC(C)C)c1nc2ccccc2n1C(F)F ZINC000065552380 518456003 /nfs/dbraw/zinc/45/60/03/518456003.db2.gz GGFBEBCQCVIHGV-JMIUGGIZSA-N 0 0 324.331 2.697 10 30 DFEERN O=[N+]([O-])c1ccc(/C=N\NC(=S)NCc2ccccc2)cc1 ZINC000033306324 527346051 /nfs/dbraw/zinc/34/60/51/527346051.db2.gz UVNARLDHGWSKBJ-BOPFTXTBSA-N 0 0 314.370 2.593 10 30 DFEERN NS(=O)(=O)c1c(C(F)(F)F)ccc(F)c1C(F)(F)F ZINC000514280371 398357043 /nfs/dbraw/zinc/35/70/43/398357043.db2.gz OTHLGXJEJSGHSA-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN Cc1cn(C(=O)[C@@H]2O[C@H]2c2ccc(Br)cc2)cn1 ZINC000090549493 185302293 /nfs/dbraw/zinc/30/22/93/185302293.db2.gz QIZDTTGPXAXGSQ-NWDGAFQWSA-N 0 0 307.147 2.734 10 30 DFEERN N#CC[C@@H](C1CCCC1)n1cc(C2=NC=NC3=NC=C[C@H]32)cn1 ZINC000585137558 398434987 /nfs/dbraw/zinc/43/49/87/398434987.db2.gz FUXWXEAFJYLBNE-GJZGRUSLSA-N 0 0 306.373 2.901 10 30 DFEERN N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)[O-])cc1 ZINC000083434141 192370782 /nfs/dbraw/zinc/37/07/82/192370782.db2.gz HXMURTACIZLHLQ-ZWKOTPCHSA-N 0 0 306.365 2.858 10 30 DFEERN COC(=O)c1cc(C#N)cc(I)c1Cl ZINC000307341072 398510770 /nfs/dbraw/zinc/51/07/70/398510770.db2.gz UTBRJDNUPCNBGB-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN CC1CCC(C#N)(NS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000040364576 398561155 /nfs/dbraw/zinc/56/11/55/398561155.db2.gz QWESLJJBSKALMU-UHFFFAOYSA-N 0 0 314.357 2.716 10 30 DFEERN C=CCCC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000044035156 398636093 /nfs/dbraw/zinc/63/60/93/398636093.db2.gz YQKRHEWRQBEAOV-UHFFFAOYSA-N 0 0 314.307 2.812 10 30 DFEERN NC(=O)[C@@]1(c2ccccn2)O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000162535 180712252 /nfs/dbraw/zinc/71/22/52/180712252.db2.gz JJCOKAXGWVWSDZ-OCCSQVGLSA-N 0 0 308.259 2.553 10 30 DFEERN CCOc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 ZINC000005845183 181289279 /nfs/dbraw/zinc/28/92/79/181289279.db2.gz WKINTOFXROBLOG-UHFFFAOYSA-N 0 0 316.382 2.680 10 30 DFEERN CN(C)[C@@H](C#N)c1ncc(Br)cc1Br ZINC000130022033 398840960 /nfs/dbraw/zinc/84/09/60/398840960.db2.gz QDCMESQJCSEYLF-QMMMGPOBSA-N 0 0 319.000 2.733 10 30 DFEERN C#C[C@H](NC)c1ncc(Br)cc1Br ZINC000133304099 398860726 /nfs/dbraw/zinc/86/07/26/398860726.db2.gz FGNLHKILMGKQLK-QMMMGPOBSA-N 0 0 303.985 2.500 10 30 DFEERN C#C[C@H](NCC)c1ncc(Br)cc1Br ZINC000133314964 398860864 /nfs/dbraw/zinc/86/08/64/398860864.db2.gz QJXJXVPQCSHZNR-VIFPVBQESA-N 0 0 318.012 2.890 10 30 DFEERN CC/C(=N/OS(=O)(=O)c1ccc(C)cc1)c1ccncc1 ZINC000139621786 398884390 /nfs/dbraw/zinc/88/43/90/398884390.db2.gz IWIHENBHXSGDKP-ICFOKQHNSA-N 0 0 304.371 2.910 10 30 DFEERN O=C(CCC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NO ZINC000148635425 398915993 /nfs/dbraw/zinc/91/59/93/398915993.db2.gz GYFHLGAUKKFPQH-ZDUSSCGKSA-N 0 0 305.378 2.606 10 30 DFEERN Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3=CC2=O ZINC000006069534 181310950 /nfs/dbraw/zinc/31/09/50/181310950.db2.gz QRZAJMUQMIQAAY-QGHHPUGFSA-N 0 0 300.358 2.912 10 30 DFEERN CCCCCCCCOC(=S)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000059568481 399110918 /nfs/dbraw/zinc/11/09/18/399110918.db2.gz KQHUXQBIGYJTHF-AWEZNQCLSA-N 0 0 321.508 2.815 10 30 DFEERN C=CCNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 ZINC000008568223 181564969 /nfs/dbraw/zinc/56/49/69/181564969.db2.gz PTZMHZRPMRDLAI-UHFFFAOYSA-N 0 0 306.431 2.902 10 30 DFEERN N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N)cc1 ZINC000020563181 182232759 /nfs/dbraw/zinc/23/27/59/182232759.db2.gz LXGGNCFJCDQBTP-UHFFFAOYSA-N 0 0 301.733 2.811 10 30 DFEERN C=CCNc1ncnc(Nc2cccc(C(=O)OCC)c2)c1N ZINC000040709115 183120816 /nfs/dbraw/zinc/12/08/16/183120816.db2.gz IBLIFIHMUUZARF-UHFFFAOYSA-N 0 0 313.361 2.577 10 30 DFEERN CCN(Cc1ccccc1Br)C[C@H](C)/C(N)=N/O ZINC000042445080 183271235 /nfs/dbraw/zinc/27/12/35/183271235.db2.gz NMQZMJGGKCZAKH-JTQLQIEISA-N 0 0 314.227 2.654 10 30 DFEERN N#C[C@]1(Nc2ccc(Br)cc2)CCN(C2CC2)C1 ZINC000061990879 184200089 /nfs/dbraw/zinc/20/00/89/184200089.db2.gz OZNUOILQNOOTOA-CQSZACIVSA-N 0 0 306.207 2.991 10 30 DFEERN N#Cc1ccc(C(=O)N2CCc3[nH]cnc3C23CCCC3)cc1 ZINC000065293169 184323706 /nfs/dbraw/zinc/32/37/06/184323706.db2.gz QBVUROMMSQGPNF-UHFFFAOYSA-N 0 0 306.369 2.749 10 30 DFEERN CC(C)(C)OC(=O)N1C[C@@H](C#Cc2ccccc2Cl)[C@H](O)C1 ZINC000616581306 399486693 /nfs/dbraw/zinc/48/66/93/399486693.db2.gz MXZSOHUILYZMSC-UKRRQHHQSA-N 0 0 321.804 2.919 10 30 DFEERN O=c1oc(C#Cc2cccc(F)c2)nc(O)c1-c1ccccc1 ZINC000095831241 296534797 /nfs/dbraw/zinc/53/47/97/296534797.db2.gz QBUKZHSXBSREAJ-UHFFFAOYSA-N 0 0 307.280 2.946 10 30 DFEERN Cc1ccc(NC(=S)N/N=C/c2ccc(O)cc2O)cc1 ZINC000000502785 425565126 /nfs/dbraw/zinc/56/51/26/425565126.db2.gz RJCRXMXRITVERN-CXUHLZMHSA-N 0 0 301.371 2.727 10 30 DFEERN CCCNC(=O)O[C@@H]1C=C[C@H](c2c(C)nn(CCC#N)c2C)C1 ZINC000008624140 425672615 /nfs/dbraw/zinc/67/26/15/425672615.db2.gz JWRBPSOPXQFHLH-LSDHHAIUSA-N 0 0 316.405 2.962 10 30 DFEERN [NH3+][C@@H](CS)CNc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000013471827 425755681 /nfs/dbraw/zinc/75/56/81/425755681.db2.gz GVHAKJDMTSSDKK-CQSZACIVSA-N 0 0 302.399 2.721 10 30 DFEERN C/C(=N\NC(N)=S)c1cc2cc(Br)ccc2o1 ZINC000095082470 426363519 /nfs/dbraw/zinc/36/35/19/426363519.db2.gz DHBFPUCUIONGCV-MKMNVTDBSA-N 0 0 312.192 2.753 10 30 DFEERN Cc1cccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000254823273 427225010 /nfs/dbraw/zinc/22/50/10/427225010.db2.gz BYRGWOGFKCTGKU-UHFFFAOYSA-N 0 0 308.790 2.961 10 30 DFEERN Cc1ccccc1OCc1ccc(C=NN2CN=NC2=S)o1 ZINC000254849435 427225366 /nfs/dbraw/zinc/22/53/66/427225366.db2.gz SFBKHZYUBLLUKA-UHFFFAOYSA-N 0 0 314.370 2.929 10 30 DFEERN CCOc1cc(I)c(OC)cc1CC#N ZINC000575697750 430094054 /nfs/dbraw/zinc/09/40/54/430094054.db2.gz JWBQFFDZVGUXKX-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN CCOc1cc(I)c(OC)c(CC#N)c1 ZINC000575697673 430094535 /nfs/dbraw/zinc/09/45/35/430094535.db2.gz GIOXSBULDTWJAV-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN N#CCc1c(N)ccc(I)c1OC(F)F ZINC000575717420 430096835 /nfs/dbraw/zinc/09/68/35/430096835.db2.gz POYKOYFESIYTFM-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000575330079 430078648 /nfs/dbraw/zinc/07/86/48/430078648.db2.gz ADJQUMSAZRRYDR-RTMOXGFGSA-N 0 0 323.825 2.963 10 30 DFEERN CCOC(=O)Cc1c(O)cc(SC(F)(F)F)cc1C#N ZINC000575392001 430081286 /nfs/dbraw/zinc/08/12/86/430081286.db2.gz KLZHGOMRHNTVBF-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1ccc(OC(F)F)c(C#N)c1C(F)(F)F ZINC000575387168 430082032 /nfs/dbraw/zinc/08/20/32/430082032.db2.gz YDBYBGAQRRRSRV-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575394254 430082250 /nfs/dbraw/zinc/08/22/50/430082250.db2.gz QSSZIVZTXXOAGL-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)c1cc(SC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575394275 430082274 /nfs/dbraw/zinc/08/22/74/430082274.db2.gz RTCVFQUSZALFLA-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(OC)cc(SC(F)(F)F)c1C#N ZINC000575395011 430082288 /nfs/dbraw/zinc/08/22/88/430082288.db2.gz TUXMAPOJLPPKBE-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1c(C#N)cc(OC)cc1SC(F)(F)F ZINC000575394559 430082522 /nfs/dbraw/zinc/08/25/22/430082522.db2.gz JJKGTYNOLUQASE-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575395613 430082544 /nfs/dbraw/zinc/08/25/44/430082544.db2.gz JYXWSYCAJCFBLE-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)Cc1c(C#N)ccc(SC(F)(F)F)c1OC ZINC000575394230 430083037 /nfs/dbraw/zinc/08/30/37/430083037.db2.gz IPCVQMJEARSZMY-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1c(C#N)c(SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575394894 430083452 /nfs/dbraw/zinc/08/34/52/430083452.db2.gz YFUGFJNXOZHUNW-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN C[C@@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000109445193 333013757 /nfs/dbraw/zinc/01/37/57/333013757.db2.gz MTDDHLSWYLTRFU-JTQLQIEISA-N 0 0 312.200 2.663 10 30 DFEERN CCC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328648352 334745648 /nfs/dbraw/zinc/74/56/48/334745648.db2.gz IIYGKKJXCJPXRC-CHWSQXEVSA-N 0 0 309.410 2.633 10 30 DFEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)CCc1cncc(F)c1 ZINC000328695095 334749360 /nfs/dbraw/zinc/74/93/60/334749360.db2.gz SVIZTBCPSZVPAK-AWEZNQCLSA-N 0 0 302.353 2.921 10 30 DFEERN Cc1nc(CN(C)C(=O)N[C@@H]2CCC(=O)NC23CCC3)cs1 ZINC000328761121 334752344 /nfs/dbraw/zinc/75/23/44/334752344.db2.gz YAJXNINIAAVKKV-GFCCVEGCSA-N 0 0 322.434 2.839 10 30 DFEERN C[C@@H]1OCC[C@@H]1NC(=O)CCN1C(=O)CSc2ccccc21 ZINC000328949344 334766750 /nfs/dbraw/zinc/76/67/50/334766750.db2.gz WNTZIRRAVAGQQL-RYUDHWBXSA-N 0 0 320.414 2.649 10 30 DFEERN Cc1nc2ccc(NC(=O)c3ncoc3[C@@H]3CCCO3)cn2n1 ZINC000328983585 334771479 /nfs/dbraw/zinc/77/14/79/334771479.db2.gz FRUAYYZKPSAWQQ-NSHDSACASA-N 0 0 313.317 2.514 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H]1COc2ccccc2O1 ZINC000329421867 335974540 /nfs/dbraw/zinc/97/45/40/335974540.db2.gz FNMWTRXFRVHPKI-STQMWFEESA-N 0 0 318.373 2.930 10 30 DFEERN Cn1ncc2c1CCC[C@@H]2NC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000329431044 335975999 /nfs/dbraw/zinc/97/59/99/335975999.db2.gz HOXGHTZCUJGTQP-AAEUAGOBSA-N 0 0 316.361 2.642 10 30 DFEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329757450 336078406 /nfs/dbraw/zinc/07/84/06/336078406.db2.gz MYHWUAPCOKHXKH-WJTVCTBASA-N 0 0 320.355 2.724 10 30 DFEERN Cc1nc(-c2cccc(C(=O)N[C@]3(C)CCO[C@@H]3C)c2)n[nH]1 ZINC000329763080 336078942 /nfs/dbraw/zinc/07/89/42/336078942.db2.gz UBQNKIJXHVSACK-QLJPJBMISA-N 0 0 300.362 2.652 10 30 DFEERN CCc1nnc(C)cc1C(=O)NC[C@H]1Cc2ccccc2N(C)C1 ZINC000329989796 336103191 /nfs/dbraw/zinc/10/31/91/336103191.db2.gz IKWNNPHGDJBVKL-CQSZACIVSA-N 0 0 324.428 2.961 10 30 DFEERN Cc1nc(CN(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cs1 ZINC000329995003 336103998 /nfs/dbraw/zinc/10/39/98/336103998.db2.gz ZUGBGLOBIPXQJT-MJBXVCDLSA-N 0 0 309.435 2.755 10 30 DFEERN [O-]C(=[NH+]CCc1ccncc1)N1CCC[C@@H](c2nccs2)C1 ZINC000330013627 336105965 /nfs/dbraw/zinc/10/59/65/336105965.db2.gz MHGDVHKLSITVGP-CQSZACIVSA-N 0 0 316.430 2.874 10 30 DFEERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000330050229 336109379 /nfs/dbraw/zinc/10/93/79/336109379.db2.gz LLNGIEDWLNLTEV-INMHGKMJSA-N 0 0 316.401 2.841 10 30 DFEERN C[C@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)c1ccc(F)c(F)c1 ZINC000330117297 336114967 /nfs/dbraw/zinc/11/49/67/336114967.db2.gz WUSZIPZQHXTNFG-GXSJLCMTSA-N 0 0 322.315 2.584 10 30 DFEERN CN(CC(=O)Nc1cccc(Cl)c1)[C@H]1CCN(C2CC2)C1=O ZINC000330149541 336118165 /nfs/dbraw/zinc/11/81/65/336118165.db2.gz KFSCKTVGQGZNDV-AWEZNQCLSA-N 0 0 321.808 2.623 10 30 DFEERN C[C@]1(C(=O)NCc2nnc(C3CC3)n2C2CC2)CCCNC1=O ZINC000330302030 336145796 /nfs/dbraw/zinc/14/57/96/336145796.db2.gz JHJGWUSNFLBYCB-INIZCTEOSA-N 0 0 317.393 2.704 10 30 DFEERN CN(C)C1(C#N)CCN(C(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000333690471 336208123 /nfs/dbraw/zinc/20/81/23/336208123.db2.gz QIISBKVPDKLGES-UHFFFAOYSA-N 0 0 318.465 2.586 10 30 DFEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000333989202 336215268 /nfs/dbraw/zinc/21/52/68/336215268.db2.gz IVBQWEMDIFWDRP-MUQADHOPSA-N 0 0 322.449 2.567 10 30 DFEERN CC(=O)N1CCC[C@@H](c2n[nH]cc2Oc2ccc(C#N)cc2)C1 ZINC000584599084 337370630 /nfs/dbraw/zinc/37/06/30/337370630.db2.gz LANBSSUAZUWBJO-CQSZACIVSA-N 0 0 310.357 2.800 10 30 DFEERN CCS(=O)(=O)N(Cc1ccccc1)/N=C/c1ccccc1 ZINC000584601657 337370975 /nfs/dbraw/zinc/37/09/75/337370975.db2.gz JYKDHWHFVLVRQL-GHRIWEEISA-N 0 0 302.399 2.872 10 30 DFEERN Cc1c2cc(C#N)cc(-c3ccc(C#N)cc3)c2n(C)c1C(N)=O ZINC000584618643 337373186 /nfs/dbraw/zinc/37/31/86/337373186.db2.gz LGTFXXITUPPKSN-UHFFFAOYSA-N 0 0 314.348 2.996 10 30 DFEERN OCCCCC#Cc1ccccc1I ZINC000584639594 337379830 /nfs/dbraw/zinc/37/98/30/337379830.db2.gz NKNXUYDKUCAJPO-UHFFFAOYSA-N 0 0 300.139 2.805 10 30 DFEERN C=C=CCCOS(=O)(=O)c1ccc(Br)cc1 ZINC000584649943 337380591 /nfs/dbraw/zinc/38/05/91/337380591.db2.gz DHXPZFVAUYKLIS-UHFFFAOYSA-N 0 0 303.177 2.886 10 30 DFEERN CCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O ZINC000038146042 519978884 /nfs/dbraw/zinc/97/88/84/519978884.db2.gz BDKVLVHIBJWMJU-HNNXBMFYSA-N 0 0 311.422 2.908 10 30 DFEERN N#Cc1cn(S(=O)(=O)c2ccccc2)c2nccc(Cl)c12 ZINC000079033984 185147833 /nfs/dbraw/zinc/14/78/33/185147833.db2.gz KACVWNPHKPVGLF-UHFFFAOYSA-N 0 0 317.757 2.798 10 30 DFEERN NS(=O)(=O)c1cc(F)cc(C(F)(F)F)c1C(F)(F)F ZINC000514281281 398357569 /nfs/dbraw/zinc/35/75/69/398357569.db2.gz CYKLRCXXJHFFAM-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN C#CCCNc1ccc([N+](=O)[O-])c(I)c1 ZINC000226640996 398352122 /nfs/dbraw/zinc/35/21/22/398352122.db2.gz JKWDPFCUAXAZGZ-UHFFFAOYSA-N 0 0 316.098 2.635 10 30 DFEERN COc1cccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000238388287 398377560 /nfs/dbraw/zinc/37/75/60/398377560.db2.gz NCFLCBZYNKRXRI-UHFFFAOYSA-N 0 0 317.389 2.882 10 30 DFEERN CS(=O)(=O)OCCCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000035941609 398552179 /nfs/dbraw/zinc/55/21/79/398552179.db2.gz NSIZLPGZHCRNIK-UHFFFAOYSA-N 0 0 322.304 2.693 10 30 DFEERN N#Cc1cccc(-c2nnc(I)s2)c1 ZINC000071052029 398610268 /nfs/dbraw/zinc/61/02/68/398610268.db2.gz XVZQDOOSTDYPBZ-UHFFFAOYSA-N 0 0 313.123 2.681 10 30 DFEERN Cc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)o1 ZINC000001299737 180854146 /nfs/dbraw/zinc/85/41/46/180854146.db2.gz SVPVTWOUABFZRC-SXGWCWSVSA-N 0 0 314.370 2.929 10 30 DFEERN CCCC(=O)N=C(NC(=O)CCC)Nc1nc2ccccc2o1 ZINC000005417362 181240861 /nfs/dbraw/zinc/24/08/61/181240861.db2.gz JWMMYWGQVSXSSQ-UHFFFAOYSA-N 0 0 316.361 2.839 10 30 DFEERN C#CC[C@H](NN)c1cc(Br)ccc1Br ZINC000126686373 398815152 /nfs/dbraw/zinc/81/51/52/398815152.db2.gz RHURWBHZDRRRIZ-JTQLQIEISA-N 0 0 318.012 2.739 10 30 DFEERN C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000135621703 398871880 /nfs/dbraw/zinc/87/18/80/398871880.db2.gz WMFPOMJJFBYHNU-NAWYTOPGSA-N 0 0 304.430 2.850 10 30 DFEERN COc1ccc(NC(=O)c2ccc(OC)c(C#N)c2F)cc1 ZINC000144619602 398906591 /nfs/dbraw/zinc/90/65/91/398906591.db2.gz AXSJYCPKCZAFGL-UHFFFAOYSA-N 0 0 300.289 2.967 10 30 DFEERN Cn1ncc([C@@H](C#N)c2ccc3ccccc3n2)c(Cl)c1=O ZINC000006188889 181318272 /nfs/dbraw/zinc/31/82/72/181318272.db2.gz XIZDPKCXOATMEH-LLVKDONJSA-N 0 0 310.744 2.637 10 30 DFEERN O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(=O)[nH]n1 ZINC000606443846 399071759 /nfs/dbraw/zinc/07/17/59/399071759.db2.gz RABWKSUCRRLOEO-ALCCZGGFSA-N 0 0 310.231 2.977 10 30 DFEERN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccncc3)S2)c(O)c1 ZINC000016904634 182063466 /nfs/dbraw/zinc/06/34/66/182063466.db2.gz BAACOWSNWBLXEJ-ZROIWOOFSA-N 0 0 311.366 2.987 10 30 DFEERN C=CCn1c(SCC(=O)OCC(C)C)nnc1C(F)(F)F ZINC000020839920 182248517 /nfs/dbraw/zinc/24/85/17/182248517.db2.gz PQPKIKHFHJSYPB-UHFFFAOYSA-N 0 0 323.340 2.774 10 30 DFEERN COc1ccc(Br)cc1CN=Nc1ocnc1C#N ZINC000026533176 182444932 /nfs/dbraw/zinc/44/49/32/182444932.db2.gz HYJPXYULSZIHND-OMCISZLKSA-N 0 0 321.134 2.763 10 30 DFEERN COC(=O)N=C1N[C@@H](c2c(Cl)cccc2Cl)CN1C ZINC000027716287 182488205 /nfs/dbraw/zinc/48/82/05/182488205.db2.gz JWYBDTBWNZCOCH-SECBINFHSA-N 0 0 302.161 2.692 10 30 DFEERN COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccccc1 ZINC000040358415 183056413 /nfs/dbraw/zinc/05/64/13/183056413.db2.gz JTEKVEFRUUZXPC-MRXNPFEDSA-N 0 0 317.385 2.644 10 30 DFEERN C=CCNc1ncnc(Nc2ccc(Br)cn2)c1N ZINC000040708965 183120444 /nfs/dbraw/zinc/12/04/44/183120444.db2.gz NTRLVTBUDBVVKB-UHFFFAOYSA-N 0 0 321.182 2.558 10 30 DFEERN CC(C)N(CC/C(N)=N/O)Cc1ccccc1Br ZINC000042529001 183280947 /nfs/dbraw/zinc/28/09/47/183280947.db2.gz PCAVPOMZMGDVNB-UHFFFAOYSA-N 0 0 314.227 2.796 10 30 DFEERN N/C(CCN(Cc1ccccc1Br)C1CC1)=N/O ZINC000042531418 183282249 /nfs/dbraw/zinc/28/22/49/183282249.db2.gz RMVAIOULVJEPHI-UHFFFAOYSA-N 0 0 312.211 2.550 10 30 DFEERN CCCCCCCC[C@H](O)[C@H](CO)NC(=O)c1ccccc1 ZINC000043553019 183370995 /nfs/dbraw/zinc/37/09/95/183370995.db2.gz SJJVABMBSWENBR-IRXDYDNUSA-N 0 0 307.434 2.889 10 30 DFEERN CCCCCCCC[C@@H](O)[C@H](CO)NC(=O)c1ccccc1 ZINC000043553021 183371224 /nfs/dbraw/zinc/37/12/24/183371224.db2.gz SJJVABMBSWENBR-DLBZAZTESA-N 0 0 307.434 2.889 10 30 DFEERN COC1=CC(=O)c2nc(-c3ccccc3[N+](=O)[O-])ccc2C1=O ZINC000005997717 284755144 /nfs/dbraw/zinc/75/51/44/284755144.db2.gz SAXJAYAYBOBLLL-UHFFFAOYSA-N 0 0 310.265 2.566 10 30 DFEERN Cc1cccc(C#C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000616581247 399486629 /nfs/dbraw/zinc/48/66/29/399486629.db2.gz KOPNBRBKYXJJMJ-HZPDHXFCSA-N 0 0 301.386 2.574 10 30 DFEERN CC(C)(C)OC(=O)NC[C@H](C=O)Cc1ccc2c(c1)CCO2 ZINC000098095877 256558690 /nfs/dbraw/zinc/55/86/90/256558690.db2.gz ALEYSSDQNBRKAK-CYBMUJFWSA-N 0 0 305.374 2.504 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000257137522 257212889 /nfs/dbraw/zinc/21/28/89/257212889.db2.gz XSEGWEUVSZRCBC-MZVGKSNJSA-N 0 0 304.430 2.850 10 30 DFEERN Cc1cc(C)c(S(=O)(=O)/N=C2/C=CC(=O)C=C2C)c(C)c1 ZINC000102605776 425923402 /nfs/dbraw/zinc/92/34/02/425923402.db2.gz FISWFONYIPHUFB-ICFOKQHNSA-N 0 0 303.383 2.827 10 30 DFEERN NC(=O)[C@@]1(c2ccccn2)O[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000162539 425540206 /nfs/dbraw/zinc/54/02/06/425540206.db2.gz JJCOKAXGWVWSDZ-JSGCOSHPSA-N 0 0 308.259 2.553 10 30 DFEERN O=C1c2ccccc2C(=O)N1/N=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000002664331 425598104 /nfs/dbraw/zinc/59/81/04/425598104.db2.gz XFJRBJQQOBRYAN-FJIBGIISSA-N 0 0 321.292 2.890 10 30 DFEERN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=N/n1c(C)nnc1C ZINC000008072438 425659983 /nfs/dbraw/zinc/65/99/83/425659983.db2.gz CUBLWLQDLPXRMK-VXLYETTFSA-N 0 0 322.416 2.947 10 30 DFEERN N#Cc1ccc(C[N@H+]2Cc3cc(F)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008698986 425672605 /nfs/dbraw/zinc/67/26/05/425672605.db2.gz KHIKBXPTHGXKLX-QGZVFWFLSA-N 0 0 310.328 2.709 10 30 DFEERN C[C@H](NC(Nc1ccc(C#N)cc1)=[NH+]CC(=O)[O-])c1ccccc1 ZINC000027849759 425818191 /nfs/dbraw/zinc/81/81/91/425818191.db2.gz QBIFEYLZKPFJHE-ZDUSSCGKSA-N 0 0 322.368 2.571 10 30 DFEERN CS(=O)(=O)OCCCC1(c2ccccc2)CCC(=O)CC1 ZINC000196006824 426543114 /nfs/dbraw/zinc/54/31/14/426543114.db2.gz HNLTZJUOKTVXGJ-UHFFFAOYSA-N 0 0 310.415 2.824 10 30 DFEERN CCn1ncc(N=Cc2cnn(C)c2)c1C(=O)Nc1ccccc1 ZINC000254294947 427219925 /nfs/dbraw/zinc/21/99/25/427219925.db2.gz UJJAIYIGUQGFBZ-UHFFFAOYSA-N 0 0 322.372 2.639 10 30 DFEERN N#Cc1cc([N+](=O)[O-])cc(Br)c1Br ZINC000575694442 430093306 /nfs/dbraw/zinc/09/33/06/430093306.db2.gz KUMGWDUMXYXVQE-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN N#CCc1cc(I)c(N)cc1OC(F)F ZINC000575717252 430097015 /nfs/dbraw/zinc/09/70/15/430097015.db2.gz OHLQEZIBHVSMNW-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1cc(Br)cc(C(F)F)c1C#N ZINC000575341625 430078252 /nfs/dbraw/zinc/07/82/52/430078252.db2.gz QOWXEZHFQGWCEK-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1F ZINC000575339855 430078369 /nfs/dbraw/zinc/07/83/69/430078369.db2.gz VAPLDRTYOBDXEC-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1Br ZINC000575382779 430080290 /nfs/dbraw/zinc/08/02/90/430080290.db2.gz ZLWCVTOYDPOXIO-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN NS(=O)(=O)c1c(F)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575381776 430080551 /nfs/dbraw/zinc/08/05/51/430080551.db2.gz ZNMWSIVVSRKZFY-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN COC(=O)Cc1cc(C=O)c(C#N)c(SC(F)(F)F)c1 ZINC000575391925 430080927 /nfs/dbraw/zinc/08/09/27/430080927.db2.gz ZQOMOTUXSUVIMW-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(O)cc1C#N ZINC000575392146 430081219 /nfs/dbraw/zinc/08/12/19/430081219.db2.gz NRZNTNYCCMXHET-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1cc(C=O)c(C#N)cc1SC(F)(F)F ZINC000575391042 430081970 /nfs/dbraw/zinc/08/19/70/430081970.db2.gz GBDOZQGKEGEUBA-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN CCOC(=O)Cc1cc(O)c(C#N)cc1SC(F)(F)F ZINC000575392400 430082027 /nfs/dbraw/zinc/08/20/27/430082027.db2.gz YNCQVMKNPYLTTQ-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575393760 430082472 /nfs/dbraw/zinc/08/24/72/430082472.db2.gz ICVLFPGBQWNNGB-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1OC ZINC000575394583 430083204 /nfs/dbraw/zinc/08/32/04/430083204.db2.gz LCEKUWTZMQIAIG-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1SC(F)(F)F ZINC000575393512 430083269 /nfs/dbraw/zinc/08/32/69/430083269.db2.gz DYBZTTPDJCJYNT-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN CC(C)(C#N)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000070139303 331648928 /nfs/dbraw/zinc/64/89/28/331648928.db2.gz DRUJWNHKWQTLDT-UHFFFAOYSA-N 0 0 309.772 2.539 10 30 DFEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328643730 334745426 /nfs/dbraw/zinc/74/54/26/334745426.db2.gz GNBLHMQDMOPPFZ-RYUDHWBXSA-N 0 0 305.382 2.667 10 30 DFEERN C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)NC2)N1CCCCC1=O ZINC000328720559 334748257 /nfs/dbraw/zinc/74/82/57/334748257.db2.gz WFGOVWMDBSGQOD-LLVKDONJSA-N 0 0 315.373 2.884 10 30 DFEERN CC[C@H](NC(=O)C[C@H](C)N1CCCCC1=O)C1CCOCC1 ZINC000328709501 334749916 /nfs/dbraw/zinc/74/99/16/334749916.db2.gz AJRLZGSJNSAWKG-ZFWWWQNUSA-N 0 0 310.438 2.939 10 30 DFEERN O=C(CNC(=O)C1CCCCC1)N1CCC[C@H](n2cccn2)C1 ZINC000328716667 334750589 /nfs/dbraw/zinc/75/05/89/334750589.db2.gz UDYXYGSGMNUJQP-HNNXBMFYSA-N 0 0 318.421 2.583 10 30 DFEERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccncc1F ZINC000328741996 334750978 /nfs/dbraw/zinc/75/09/78/334750978.db2.gz NRITUOWTZFJDKF-FATJJJSSSA-N 0 0 307.369 2.743 10 30 DFEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccncc1F ZINC000328731965 334754242 /nfs/dbraw/zinc/75/42/42/334754242.db2.gz IUQNQOKWFCKGDF-OGHNNQOOSA-N 0 0 321.396 2.823 10 30 DFEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC2(CCOCC2)CC1 ZINC000328892895 334763995 /nfs/dbraw/zinc/76/39/95/334763995.db2.gz UEJCXOZLNNINHQ-CABCVRRESA-N 0 0 310.438 2.751 10 30 DFEERN CN(CC1CCOCC1)C(=O)NC1CCC2(CCOCC2)CC1 ZINC000329037460 335934689 /nfs/dbraw/zinc/93/46/89/335934689.db2.gz ZHVNFVJCWYMXQO-UHFFFAOYSA-N 0 0 324.465 2.998 10 30 DFEERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CCCO1 ZINC000329260332 335957211 /nfs/dbraw/zinc/95/72/11/335957211.db2.gz FOZSHMCTDPXCAR-KZVDOYCCSA-N 0 0 311.426 2.591 10 30 DFEERN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329356928 335967768 /nfs/dbraw/zinc/96/77/68/335967768.db2.gz WJUZNTKMTVNCQR-ZDUSSCGKSA-N 0 0 318.398 2.971 10 30 DFEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000329360866 335968222 /nfs/dbraw/zinc/96/82/22/335968222.db2.gz IHSKBTWOBXBUMI-JSGCOSHPSA-N 0 0 318.421 2.999 10 30 DFEERN O=C(NC[C@@H]1COCCO1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329450522 335978181 /nfs/dbraw/zinc/97/81/81/335978181.db2.gz DOLCLBBPLQZMCN-NEPJUHHUSA-N 0 0 311.765 2.578 10 30 DFEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC(O)(C3CC3)C2)C1 ZINC000329474790 335981243 /nfs/dbraw/zinc/98/12/43/335981243.db2.gz AZLPPTXUKURVNF-CTYIDZIISA-N 0 0 300.402 2.612 10 30 DFEERN Cc1cc([C@@H]2CCCN2C(=O)NCCC2CCOCC2)on1 ZINC000329716870 336067326 /nfs/dbraw/zinc/06/73/26/336067326.db2.gz WZPCCXYIEOWRNT-AWEZNQCLSA-N 0 0 307.394 2.851 10 30 DFEERN COc1c(CNC(=O)N2CC=C(C(C)(C)C)CC2)c(C)nn1C ZINC000329754879 336078333 /nfs/dbraw/zinc/07/83/33/336078333.db2.gz XQABWCRWGJIRAI-UHFFFAOYSA-N 0 0 320.437 2.829 10 30 DFEERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329766686 336079571 /nfs/dbraw/zinc/07/95/71/336079571.db2.gz YMEBQOGKAHVYTG-JSPGJAJPSA-N 0 0 320.355 2.724 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)sc2C1 ZINC000329799534 336083170 /nfs/dbraw/zinc/08/31/70/336083170.db2.gz XWJHFZYXXAJZHY-FBKDDSFISA-N 0 0 322.430 2.907 10 30 DFEERN CN(C)c1ccc(CNC(=O)C[C@@H]2CCCCC(=O)N2)cn1 ZINC000329852488 336089228 /nfs/dbraw/zinc/08/92/28/336089228.db2.gz UUDDPCMXHJGGQJ-ZDUSSCGKSA-N 0 0 304.394 2.893 10 30 DFEERN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCC1CCOCC1 ZINC000329949680 336098629 /nfs/dbraw/zinc/09/86/29/336098629.db2.gz 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ZINC000040311278 183053280 /nfs/dbraw/zinc/05/32/80/183053280.db2.gz IQHCJBRPDRCQPQ-UHFFFAOYSA-N 0 0 315.417 2.779 10 30 DFEERN C=CCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000040598724 183107910 /nfs/dbraw/zinc/10/79/10/183107910.db2.gz ZXKZKQPZCZWKPV-UHFFFAOYSA-N 0 0 311.345 2.545 10 30 DFEERN N#Cc1cc2c(nc1-n1cc(Br)cn1)CCCC2 ZINC000043409959 183359858 /nfs/dbraw/zinc/35/98/58/183359858.db2.gz KPGROZLTAOQRKB-UHFFFAOYSA-N 0 0 303.163 2.780 10 30 DFEERN CNc1cc(C(=O)N(CC#Cc2ccccc2)C2CC2)ccn1 ZINC000065407704 184339479 /nfs/dbraw/zinc/33/94/79/184339479.db2.gz YGZNDHTWYQMSKV-UHFFFAOYSA-N 0 0 305.381 2.780 10 30 DFEERN N#Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000616612557 399489152 /nfs/dbraw/zinc/48/91/52/399489152.db2.gz CFRZIUAMHJYIMH-MRXNPFEDSA-N 0 0 312.394 2.736 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)[C@@H](O)C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000257788378 257133731 /nfs/dbraw/zinc/13/37/31/257133731.db2.gz ZOIPFFUVGMVQGE-HCWBLQPYSA-N 0 0 304.430 2.850 10 30 endogenous,in-man DFEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000256427180 257104773 /nfs/dbraw/zinc/10/47/73/257104773.db2.gz GFUSEGGPVQNTTK-JVHVXJQMSA-N 0 0 312.409 2.672 10 30 DFEERN N#Cc1cccnc1N1CCc2nc(-c3ccccn3)oc2C1 ZINC000064539905 425901798 /nfs/dbraw/zinc/90/17/98/425901798.db2.gz CHVXANPQEAFDOH-UHFFFAOYSA-N 0 0 303.325 2.566 10 30 DFEERN CCN(CC#N)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000152629162 426348512 /nfs/dbraw/zinc/34/85/12/426348512.db2.gz PGRSJHPZUXBAFX-UHFFFAOYSA-N 0 0 310.279 2.578 10 30 DFEERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000095075278 426362820 /nfs/dbraw/zinc/36/28/20/426362820.db2.gz NZEKMVJIWSLIPS-AWEZNQCLSA-N 0 0 316.405 2.789 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ncccc1C#N ZINC000095085859 426364317 /nfs/dbraw/zinc/36/43/17/426364317.db2.gz WBSRUDIXLVPYHB-CYBMUJFWSA-N 0 0 303.362 2.732 10 30 DFEERN O=c1c2c3c(sc2nc2n1CCCCC2)C(=NO)CCC3 ZINC000254441407 427220991 /nfs/dbraw/zinc/22/09/91/427220991.db2.gz 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DFEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1C=O ZINC000575391780 430081125 /nfs/dbraw/zinc/08/11/25/430081125.db2.gz UHIVIWGPJVHKMA-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)c1ccc(OC(F)F)c(OC(F)(F)F)c1C#N ZINC000575388446 430081136 /nfs/dbraw/zinc/08/11/36/430081136.db2.gz VCTXSZWVIMRUKG-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1c(C#N)cc(OC(F)F)cc1C(F)(F)F ZINC000575387172 430081315 /nfs/dbraw/zinc/08/13/15/430081315.db2.gz YHACMLUAOFQPQS-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN CCOC(=O)Cc1cc(O)cc(SC(F)(F)F)c1C#N ZINC000575391983 430081902 /nfs/dbraw/zinc/08/19/02/430081902.db2.gz JLIMCVDKOFNBPG-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1cc(C=O)cc(C#N)c1SC(F)(F)F ZINC000575391845 430081985 /nfs/dbraw/zinc/08/19/85/430081985.db2.gz XGQVIXRAPUJGLB-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c(OC)c(OC(F)(F)F)c1 ZINC000575394886 430082298 /nfs/dbraw/zinc/08/22/98/430082298.db2.gz RJPGTOUQXIGIQC-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)c(OC)c1 ZINC000575394042 430082403 /nfs/dbraw/zinc/08/24/03/430082403.db2.gz GDYHBDRCJZFOIF-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)c(OC)cc1C#N ZINC000575395005 430082438 /nfs/dbraw/zinc/08/24/38/430082438.db2.gz SJTAOJWFBBSRPL-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1ccc([N+](=O)[O-])c(SC(F)(F)F)c1C#N ZINC000575393536 430082605 /nfs/dbraw/zinc/08/26/05/430082605.db2.gz GEOGEXHDSUSKFM-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1SC(F)(F)F ZINC000575393478 430083200 /nfs/dbraw/zinc/08/32/00/430083200.db2.gz CAOMCZSTAAVGPP-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(OC)c1SC(F)(F)F ZINC000575394113 430083250 /nfs/dbraw/zinc/08/32/50/430083250.db2.gz CCZFLBGRWHWEDU-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1cc(OC)c(OC(F)(F)F)cc1C#N ZINC000575395079 430083431 /nfs/dbraw/zinc/08/34/31/430083431.db2.gz WIRBBGJNUKCNBC-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN C[C@H](C#N)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000109445222 333013926 /nfs/dbraw/zinc/01/39/26/333013926.db2.gz KOJIXDRCWYCEQX-SNVBAGLBSA-N 0 0 312.200 2.663 10 30 DFEERN Cc1cnc([C@@H](C)NC(=O)c2coc(C3CCOCC3)n2)o1 ZINC000328730664 334754041 /nfs/dbraw/zinc/75/40/41/334754041.db2.gz GDTNJXGIARUFJB-SNVBAGLBSA-N 0 0 305.334 2.931 10 30 DFEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccncc1F ZINC000328731964 334754223 /nfs/dbraw/zinc/75/42/23/334754223.db2.gz IUQNQOKWFCKGDF-GDZNZVCISA-N 0 0 321.396 2.823 10 30 DFEERN O=C(NCCC1CCOCC1)N[C@@H]1CCCC12CCOCC2 ZINC000328843570 334759375 /nfs/dbraw/zinc/75/93/75/334759375.db2.gz UZILUSFNAFGVLD-OAHLLOKOSA-N 0 0 310.438 2.656 10 30 DFEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC1(CO)CCCC1 ZINC000329017181 335933900 /nfs/dbraw/zinc/93/39/00/335933900.db2.gz GQHQTJOJEKAUHD-HUUCEWRRSA-N 0 0 317.433 2.663 10 30 DFEERN C[C@@]1(C(=O)NCCOc2cncc(Cl)c2)CCCNC1=O ZINC000329029391 335934234 /nfs/dbraw/zinc/93/42/34/335934234.db2.gz ANFYPGQMZMBZSA-CQSZACIVSA-N 0 0 311.769 2.827 10 30 DFEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000329287919 335959967 /nfs/dbraw/zinc/95/99/67/335959967.db2.gz PJBRMGALVZKBQR-MLGOLLRUSA-N 0 0 318.373 2.691 10 30 DFEERN Cc1nc(-c2cccc(C(=O)N[C@@H]3CCCOCC3)c2)n[nH]1 ZINC000329289502 335960216 /nfs/dbraw/zinc/96/02/16/335960216.db2.gz QJYXMSYIESUWOI-CQSZACIVSA-N 0 0 300.362 2.654 10 30 DFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000329437357 335976157 /nfs/dbraw/zinc/97/61/57/335976157.db2.gz MDITVKXCCFGHFQ-LXTVHRRPSA-N 0 0 310.438 2.794 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)NCCc1cn2c(n1)SCC2 ZINC000329478468 335981610 /nfs/dbraw/zinc/98/16/10/335981610.db2.gz CHILYFFVJDNZLZ-NSHDSACASA-N 0 0 322.434 2.635 10 30 DFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329587303 335998251 /nfs/dbraw/zinc/99/82/51/335998251.db2.gz YQXODFAUGKTVMN-FRFSOERESA-N 0 0 322.449 2.938 10 30 DFEERN C[C@H]1CCc2nc(NC(=O)N3CC[C@]4(CCOC4)C3)sc2C1 ZINC000329645484 336026222 /nfs/dbraw/zinc/02/62/22/336026222.db2.gz AUFRPBNCFBTRAD-ZBEGNZNMSA-N 0 0 321.446 2.926 10 30 DFEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](O)C2)C1 ZINC000329777331 336080647 /nfs/dbraw/zinc/08/06/47/336080647.db2.gz PAQVQWHOAFFAKE-QBYUYEEZSA-N 0 0 302.418 2.858 10 30 DFEERN COC1CCN(C(=O)NC2CCC3(CCOCC3)CC2)CC1 ZINC000329962050 336100235 /nfs/dbraw/zinc/10/02/35/336100235.db2.gz SMUISGDYEJRMDX-UHFFFAOYSA-N 0 0 310.438 2.751 10 30 DFEERN Cn1ncc(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)c1C1CC1 ZINC000329986524 336103003 /nfs/dbraw/zinc/10/30/03/336103003.db2.gz FJCIDOXLUOXGCX-CYBMUJFWSA-N 0 0 324.428 2.911 10 30 DFEERN CC1(C)C(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)C1(C)C ZINC000330007585 336105130 /nfs/dbraw/zinc/10/51/30/336105130.db2.gz DRQVKTHVMUWMBT-CYBMUJFWSA-N 0 0 304.438 2.944 10 30 DFEERN Cc1noc(C)c1NC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000330131954 336116374 /nfs/dbraw/zinc/11/63/74/336116374.db2.gz QBHROLURUMSTIM-ZDUSSCGKSA-N 0 0 317.393 2.525 10 30 DFEERN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000330309357 336146467 /nfs/dbraw/zinc/14/64/67/336146467.db2.gz MUEVTSNYCUKQMU-DZKIICNBSA-N 0 0 316.401 2.811 10 30 DFEERN CC(C)[C@@H]1N(C(=O)NCC2CCC(C#N)CC2)C[C@@]12CCCO2 ZINC000333634531 336207602 /nfs/dbraw/zinc/20/76/02/336207602.db2.gz RKOMDEXUMUVZLB-OBQMCRIKSA-N 0 0 319.449 2.915 10 30 DFEERN CC(C)(C)C(=O)ONC(=O)c1cccc(Br)c1 ZINC000584609060 337372104 /nfs/dbraw/zinc/37/21/04/337372104.db2.gz IXELEXMFLSQXKM-UHFFFAOYSA-N 0 0 300.152 2.683 10 30 DFEERN CCNC(=O)/C=C(\C#C[C@@](O)(c1ccccc1)C1(C#N)CC1)CC ZINC000584626054 337375890 /nfs/dbraw/zinc/37/58/90/337375890.db2.gz FLKWVIZVDPMBCL-FZWACIFYSA-N 0 0 322.408 2.654 10 30 DFEERN N#C[C@]1(C2CC2)CCN(c2ccnc(Br)c2)C1=O ZINC000584633762 337377616 /nfs/dbraw/zinc/37/76/16/337377616.db2.gz LVWODLKQFMRSBI-ZDUSSCGKSA-N 0 0 306.163 2.501 10 30 DFEERN C=C1[C@H]2C[C@@]3(C[C@H](O)[C@@H]4C(C)(C)C[C@H](O)C[C@@]4(C)[C@@H]3CC2)[C@H]1O ZINC000584657961 337378062 /nfs/dbraw/zinc/37/80/62/337378062.db2.gz OUDUFOYDAUOXPD-BDRZRLSXSA-N 0 0 320.473 2.888 10 30 DFEERN C[C@](O)(C#Cc1ccc(C(=O)NC2CCC2)nc1)c1ccccc1 ZINC000584660287 337378298 /nfs/dbraw/zinc/37/82/98/337378298.db2.gz WNVTZAHQGKEJRE-FQEVSTJZSA-N 0 0 320.392 2.623 10 30 DFEERN C[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]3C(=O)C=CC(=O)[C@]3(CO)[C@@H]1CC2 ZINC000504679351 340150891 /nfs/dbraw/zinc/15/08/91/340150891.db2.gz GLTAUWRDMMIVOL-NQZXKJCSSA-N 0 0 302.414 2.916 10 30 DFEERN COc1nc2c3c(ccc2c(OC)c1C[C@@H]1OC1(C)C)OCO3 ZINC000005114531 560200540 /nfs/dbraw/zinc/20/05/40/560200540.db2.gz QOTWJEWVWRAEQQ-LBPRGKRZSA-N 0 0 317.341 2.701 10 30 biogenic,in-vitro DFEERN NS(=O)(=O)c1c(F)ccc(C(F)(F)F)c1C(F)(F)F ZINC000514280572 398357577 /nfs/dbraw/zinc/35/75/77/398357577.db2.gz OSIRUSCDJKDQNZ-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN CN[C@@H](C#N)c1ccc(Br)c(Br)c1 ZINC000234394284 398359922 /nfs/dbraw/zinc/35/99/22/398359922.db2.gz RTKFYSTXVHDCEM-VIFPVBQESA-N 0 0 303.985 2.996 10 30 DFEERN C[C@@H](S)C(=O)Nc1ccccc1I ZINC000235299318 398360634 /nfs/dbraw/zinc/36/06/34/398360634.db2.gz LBBLCYIEJVATLY-ZCFIWIBFSA-N 0 0 307.156 2.548 10 30 DFEERN C=C[C@H](C)Nc1cc(OC)ncc1I ZINC000306532953 398508761 /nfs/dbraw/zinc/50/87/61/398508761.db2.gz HDQUMDAUXURDEN-ZETCQYMHSA-N 0 0 304.131 2.681 10 30 DFEERN COC(=O)c1cc(I)c(Cl)c(C#N)c1 ZINC000306582644 398508875 /nfs/dbraw/zinc/50/88/75/398508875.db2.gz CPGZKRIUOYESCG-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN O=C(C#CBr)Nc1cc(F)ccc1Br ZINC000306699831 398509450 /nfs/dbraw/zinc/50/94/50/398509450.db2.gz FGLJSKWRPVYMNW-UHFFFAOYSA-N 0 0 320.943 2.883 10 30 DFEERN CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(F)cc1F ZINC000034422201 398548439 /nfs/dbraw/zinc/54/84/39/398548439.db2.gz KQKDPROKNKSZOD-CLFYSBASSA-N 0 0 302.248 2.770 10 30 DFEERN O[C@H](CC#Cc1cccnc1)CCCCO[C@H]1CCCCO1 ZINC000036430911 398553174 /nfs/dbraw/zinc/55/31/74/398553174.db2.gz IECVUEDTJOQNPW-ZWKOTPCHSA-N 0 0 303.402 2.898 10 30 DFEERN C[C@H](C#N)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000070136422 190862126 /nfs/dbraw/zinc/86/21/26/190862126.db2.gz OJDYKOCAVNXZRC-SNVBAGLBSA-N 0 0 314.252 2.540 10 30 DFEERN N#Cc1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1 ZINC000043975470 398633922 /nfs/dbraw/zinc/63/39/22/398633922.db2.gz LIHFUMCFAVGNLU-UHFFFAOYSA-N 0 0 320.396 2.600 10 30 DFEERN N#Cc1cnn(-c2ccnc3cc(Br)ccc32)c1N ZINC000096836629 398664123 /nfs/dbraw/zinc/66/41/23/398664123.db2.gz PJQSSAYMSYTPMW-UHFFFAOYSA-N 0 0 314.146 2.637 10 30 DFEERN COCCOC(=NC(=O)c1ccco1)N[C@@H](C)c1ccccc1 ZINC000004766168 181149486 /nfs/dbraw/zinc/14/94/86/181149486.db2.gz ULVRGKQBDZCLSY-ZDUSSCGKSA-N 0 0 316.357 2.790 10 30 DFEERN C[C@H](C#N)CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000005141541 181208577 /nfs/dbraw/zinc/20/85/77/181208577.db2.gz QTQLGVMGVQNRMC-SNVBAGLBSA-N 0 0 306.321 2.739 10 30 DFEERN COc1cc(OC)cc(C(=O)n2c(CC#N)nc3ccccc32)c1 ZINC000005580593 181259910 /nfs/dbraw/zinc/25/99/10/181259910.db2.gz NZZSNDJWOPFWLI-UHFFFAOYSA-N 0 0 321.336 2.808 10 30 DFEERN C#CC(O)(C#C)C[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000141822879 398896609 /nfs/dbraw/zinc/89/66/09/398896609.db2.gz OZFHYNWGZHVNPE-QFIPXVFZSA-N 0 0 308.402 2.522 10 30 DFEERN CC(C)(C)[S@](=O)/N=C/C1(NC(=O)OCc2ccccc2)CC1 ZINC000149982769 398919570 /nfs/dbraw/zinc/91/95/70/398919570.db2.gz GIEMVIIGDOTPMP-YAECTWJJSA-N 0 0 322.430 2.978 10 30 DFEERN CC(=O)C(=NNc1ccccc1)NNc1ccc([N+](=O)[O-])cc1 ZINC000006820424 181394815 /nfs/dbraw/zinc/39/48/15/181394815.db2.gz BJQXNPREDZFTSI-UHFFFAOYSA-N 0 0 313.317 2.526 10 30 DFEERN N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007307733 181453455 /nfs/dbraw/zinc/45/34/55/181453455.db2.gz PHHQMUQUZZYNPH-DZGCQCFKSA-N 0 0 304.415 2.759 10 30 DFEERN CCCCCCCCCOC(=S)N[C@H]1CCS(=O)(=O)C1 ZINC000059568746 399110215 /nfs/dbraw/zinc/11/02/15/399110215.db2.gz ZEDQNOYFSQYQEB-ZDUSSCGKSA-N 0 0 321.508 2.815 10 30 DFEERN CCCCCCCCCOC(=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000059568749 399110879 /nfs/dbraw/zinc/11/08/79/399110879.db2.gz AITATPNXYFCZDY-ZDUSSCGKSA-N 0 0 319.492 2.939 10 30 DFEERN O=C(c1ccc(Br)s1)N1CCC(=NO)CC1 ZINC000019433326 182122889 /nfs/dbraw/zinc/12/28/89/182122889.db2.gz BXAUCHAADMCVRO-UHFFFAOYSA-N 0 0 303.181 2.577 10 30 DFEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(Cl)cn1 ZINC000020360616 182211174 /nfs/dbraw/zinc/21/11/74/182211174.db2.gz UGBDZDFKFSBDBT-UHFFFAOYSA-N 0 0 307.762 2.549 10 30 DFEERN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)c1 ZINC000020372578 182212190 /nfs/dbraw/zinc/21/21/90/182212190.db2.gz KICHEWXTLUAGAM-HNNXBMFYSA-N 0 0 319.364 2.858 10 30 DFEERN C=CCn1c(COC)nnc1SCc1ccc(OC)cc1 ZINC000020425884 182215890 /nfs/dbraw/zinc/21/58/90/182215890.db2.gz YDCVXYDJOCQJAQ-UHFFFAOYSA-N 0 0 305.403 2.911 10 30 DFEERN C/C(=N/NC(=S)NC1CCCCC1)c1cc(O)ccc1O ZINC000020931280 182255142 /nfs/dbraw/zinc/25/51/42/182255142.db2.gz AVAGPTKBLXPLGE-YVLHZVERSA-N 0 0 307.419 2.619 10 30 DFEERN C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)(C)C ZINC000020838992 182248528 /nfs/dbraw/zinc/24/85/28/182248528.db2.gz YGITYTKLTKLAQE-UHFFFAOYSA-N 0 0 310.467 2.768 10 30 DFEERN COC(=O)c1c(C)nc(C)c(C#N)c1-c1ccccc1[N+](=O)[O-] ZINC000033895288 182726108 /nfs/dbraw/zinc/72/61/08/182726108.db2.gz SRBZUTFGDOFIEM-UHFFFAOYSA-N 0 0 311.297 2.932 10 30 DFEERN N#C[C@@H](NC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000037939934 182940392 /nfs/dbraw/zinc/94/03/92/182940392.db2.gz JIMXUVRLNOFQGY-ZWNOBZJWSA-N 0 0 313.170 2.921 10 30 DFEERN N#C[C@]1(Nc2ccccc2Br)CN2CCC1CC2 ZINC000037938559 182940427 /nfs/dbraw/zinc/94/04/27/182940427.db2.gz ACGCCWFAHYULQX-AWEZNQCLSA-N 0 0 306.207 2.849 10 30 DFEERN N#C[C@@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1F ZINC000037939928 182940557 /nfs/dbraw/zinc/94/05/57/182940557.db2.gz IDYZGACHHOBNDX-GXFFZTMASA-N 0 0 313.170 2.921 10 30 DFEERN N#C[C@@H](NCC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000037946962 182941875 /nfs/dbraw/zinc/94/18/75/182941875.db2.gz OWEFVKJGDPEPFU-LLVKDONJSA-N 0 0 309.163 2.742 10 30 DFEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CCOCC ZINC000040210195 183045585 /nfs/dbraw/zinc/04/55/85/183045585.db2.gz LYUDTDUJLOCELQ-UHFFFAOYSA-N 0 0 315.417 2.698 10 30 DFEERN Cc1ccc(S(=O)(=O)N[C@@H](C#N)c2ccccc2)c(C)c1 ZINC000040216592 183046261 /nfs/dbraw/zinc/04/62/61/183046261.db2.gz SMGVZCFAQUGUKA-HNNXBMFYSA-N 0 0 300.383 2.847 10 30 DFEERN C=CCn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O ZINC000040565014 183103143 /nfs/dbraw/zinc/10/31/43/183103143.db2.gz VREGDDLYMMFANE-UHFFFAOYSA-N 0 0 320.348 2.902 10 30 DFEERN CCCCOC(=O)[C@H](S)C[C@H](S)C(=O)OCCCC ZINC000059052628 184134148 /nfs/dbraw/zinc/13/41/48/184134148.db2.gz BROYUNKSNPDORH-PHIMTYICSA-N 0 0 308.465 2.660 10 30 DFEERN C[C@@H](CC#N)N(C)C(=O)c1cc(N)c(F)cc1Br ZINC000063084918 184269515 /nfs/dbraw/zinc/26/95/15/184269515.db2.gz XDNBZGWSVHEGRN-ZETCQYMHSA-N 0 0 314.158 2.545 10 30 DFEERN CC(C)(C)OC(=O)N1CCOC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616596885 399487701 /nfs/dbraw/zinc/48/77/01/399487701.db2.gz DOHJYLIQOONRME-HNNXBMFYSA-N 0 0 302.374 2.909 10 30 DFEERN N#Cc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000616613660 399489877 /nfs/dbraw/zinc/48/98/77/399489877.db2.gz ROKXTPKZDHZZFY-MRXNPFEDSA-N 0 0 312.394 2.736 10 30 DFEERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#N)N(O)Cc1ccccc1 ZINC000016919455 257132543 /nfs/dbraw/zinc/13/25/43/257132543.db2.gz RMXAIIKEGNPWLZ-TZMCWYRMSA-N 0 0 305.378 2.683 10 30 DFEERN CC1(C)NC(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000000016183 425529646 /nfs/dbraw/zinc/52/96/46/425529646.db2.gz FUHSAPKUKZPRCD-UHFFFAOYSA-N 0 0 313.304 2.577 10 30 DFEERN NC(=O)[C@]1(c2ccccn2)O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000162537 425540968 /nfs/dbraw/zinc/54/09/68/425540968.db2.gz JJCOKAXGWVWSDZ-TZMCWYRMSA-N 0 0 308.259 2.553 10 30 DFEERN COc1ccc(NCC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000015124064 425780206 /nfs/dbraw/zinc/78/02/06/425780206.db2.gz NYIHXHKYYBRIOD-UHFFFAOYSA-N 0 0 311.341 2.626 10 30 DFEERN O=C(OC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O ZINC000100043123 426480034 /nfs/dbraw/zinc/48/00/34/426480034.db2.gz BRULYFDTBFWKES-UHFFFAOYSA-N 0 0 323.304 2.974 10 30 DFEERN N#Cc1cc(OC(F)F)c(F)cc1I ZINC000575660390 430089112 /nfs/dbraw/zinc/08/91/12/430089112.db2.gz YPZRTTMQTIMNNZ-UHFFFAOYSA-N 0 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COC(=O)c1c(C#N)c(SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575393533 430082368 /nfs/dbraw/zinc/08/23/68/430082368.db2.gz GCULSARNKLWAFH-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1OC ZINC000575394453 430082484 /nfs/dbraw/zinc/08/24/84/430082484.db2.gz LGCADZVPNTVGQA-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1OC(F)(F)F ZINC000575395719 430082516 /nfs/dbraw/zinc/08/25/16/430082516.db2.gz NDHXRJOZSWHOEJ-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN COC(=O)c1ccc(C#N)c([N+](=O)[O-])c1SC(F)(F)F ZINC000575394883 430082653 /nfs/dbraw/zinc/08/26/53/430082653.db2.gz YBVIRYQDHMTMPG-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1c(SC(F)(F)F)ccc(C#N)c1OC ZINC000575394089 430082660 /nfs/dbraw/zinc/08/26/60/430082660.db2.gz AGQOWMUHFNAURH-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1c(C#N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575395711 430083045 /nfs/dbraw/zinc/08/30/45/430083045.db2.gz MOXSHCZJAOYOPN-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)Cc1c(C#N)cc(SC(F)(F)F)cc1OC ZINC000575394992 430083071 /nfs/dbraw/zinc/08/30/71/430083071.db2.gz ROBFRZZYDJMXQD-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575395737 430083128 /nfs/dbraw/zinc/08/31/28/430083128.db2.gz OAOYVPLVPFCSDA-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)c1c(SC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575394862 430083243 /nfs/dbraw/zinc/08/32/43/430083243.db2.gz XQDRSJODXVHPEK-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)C1(C#N)CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000584646075 430477333 /nfs/dbraw/zinc/47/73/33/430477333.db2.gz JTHHMIMBMFDNAK-UHFFFAOYSA-N 0 0 315.373 2.614 10 30 DFEERN COc1ccc(Cl)cc1CN1CCN(C(C)(C)C#N)CC1 ZINC000109460762 333307818 /nfs/dbraw/zinc/30/78/18/333307818.db2.gz MFLMUWNTDBNTRO-UHFFFAOYSA-N 0 0 307.825 2.768 10 30 DFEERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328633132 334744928 /nfs/dbraw/zinc/74/49/28/334744928.db2.gz 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335955286 /nfs/dbraw/zinc/95/52/86/335955286.db2.gz ALYXNEHEPZNRRA-CQSZACIVSA-N 0 0 322.409 2.636 10 30 DFEERN C[C@]1(CNC(=O)N2CCC[C@@H](c3nccs3)C2)CCOC1 ZINC000329479565 335981458 /nfs/dbraw/zinc/98/14/58/335981458.db2.gz VGHKXBNNGIZDJU-IUODEOHRSA-N 0 0 309.435 2.663 10 30 DFEERN C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000329633976 336020720 /nfs/dbraw/zinc/02/07/20/336020720.db2.gz STNVFDHECWXWHB-DJIMGWMZSA-N 0 0 318.417 2.584 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)sc2C1 ZINC000329693671 336052385 /nfs/dbraw/zinc/05/23/85/336052385.db2.gz WUDLXZONPHIKPO-OUAUKWLOSA-N 0 0 307.419 2.531 10 30 DFEERN COc1ccc2c(c1NC(=O)[C@@H]1OC[C@@H]3COCC[C@@H]13)CCC2 ZINC000329823472 336086455 /nfs/dbraw/zinc/08/64/55/336086455.db2.gz QIQLUMGHNXENNU-DXCKQFNASA-N 0 0 317.385 2.823 10 30 DFEERN O=C(CN1CCOc2ccc(Cl)cc21)N[C@@H]1CCCNC1=O ZINC000329870740 336090972 /nfs/dbraw/zinc/09/09/72/336090972.db2.gz AFVXXVOBUKTWSI-LLVKDONJSA-N 0 0 323.780 2.614 10 30 DFEERN 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337380364 /nfs/dbraw/zinc/38/03/64/337380364.db2.gz WOZPBTVJFXWTEH-UHFFFAOYSA-N 0 0 320.414 2.939 10 30 DFEERN Cc1ccc(S(=O)(=O)OC[C@@H](C)O[C@@H]2CCCCO2)cc1 ZINC000014679788 525620564 /nfs/dbraw/zinc/62/05/64/525620564.db2.gz CIRBILLHZJTIAZ-UKRRQHHQSA-N 0 0 314.403 2.632 10 30 DFEERN N#Cc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000238056639 398376813 /nfs/dbraw/zinc/37/68/13/398376813.db2.gz RPUSWLIAUAJIKW-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN N#Cc1nc(-c2ccc(N)cc2)c(-c2ccc(N)cc2)nc1C#N ZINC000090568339 185304137 /nfs/dbraw/zinc/30/41/37/185304137.db2.gz IRYFRIIWNWHKCW-UHFFFAOYSA-N 0 0 312.336 2.718 10 30 DFEERN C=CCCC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000044006157 398635143 /nfs/dbraw/zinc/63/51/43/398635143.db2.gz VCFRCXAWUNASCV-UHFFFAOYSA-N 0 0 318.392 2.760 10 30 DFEERN Cn1c2ccccc2c2nnc(N=NCc3ccccc3)nc21 ZINC000005580131 181260036 /nfs/dbraw/zinc/26/00/36/181260036.db2.gz NENYEMWYTYRACW-WOJGMQOQSA-N 0 0 302.341 2.963 10 30 DFEERN COC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]2(O)C#Cc1cccc(C)c1 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COC(=O)Cc1c(Br)ccc(C#N)c1C(F)F ZINC000575382775 430079856 /nfs/dbraw/zinc/07/98/56/430079856.db2.gz XJYOWISLEJMJLH-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1cc(OC(F)F)c(C#N)cc1C(F)(F)F ZINC000575387104 430081142 /nfs/dbraw/zinc/08/11/42/430081142.db2.gz VHXLOSKNQRJLBY-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1ccc(C#N)c(OC(F)(F)F)c1OC(F)F ZINC000575387252 430081161 /nfs/dbraw/zinc/08/11/61/430081161.db2.gz FWCPDJCWVVAVNG-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)c1cc(OC(F)F)c(C#N)cc1OC(F)(F)F ZINC000575387826 430081309 /nfs/dbraw/zinc/08/13/09/430081309.db2.gz LNYNLBFTMGZWLI-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1cc(C#N)c(OC)c(SC(F)(F)F)c1 ZINC000575394570 430082304 /nfs/dbraw/zinc/08/23/04/430082304.db2.gz JVDNHYRMGJZFPR-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1cc(OC)cc(C#N)c1SC(F)(F)F ZINC000575394139 430082713 /nfs/dbraw/zinc/08/27/13/430082713.db2.gz FJBZNJFKDVSHBX-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1OC ZINC000575394930 430082795 /nfs/dbraw/zinc/08/27/95/430082795.db2.gz UMUPFCOZPBEHDQ-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)Cc1ccc(SC(F)(F)F)c(OC)c1C#N ZINC000575394127 430082967 /nfs/dbraw/zinc/08/29/67/430082967.db2.gz DNTJUYSJFHNNPV-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575394246 430083447 /nfs/dbraw/zinc/08/34/47/430083447.db2.gz QHIZBGMWABIYDV-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN Cc1c(Br)cc(C(=O)NO)cc1Br ZINC000226290333 278582856 /nfs/dbraw/zinc/58/28/56/278582856.db2.gz LLQNFYRUIBLVEQ-UHFFFAOYSA-N 0 0 308.957 2.639 10 30 DFEERN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccnc2)C1 ZINC000021147022 280892961 /nfs/dbraw/zinc/89/29/61/280892961.db2.gz OHVBHDVYANWVAU-ZDUSSCGKSA-N 0 0 311.345 2.687 10 30 DFEERN CC(=O)N1CCc2cc([N+](=O)[O-])c(C#C[Si](C)(C)C)cc2C1 ZINC000575167346 332886266 /nfs/dbraw/zinc/88/62/66/332886266.db2.gz HOMDGWICOVCCJS-UHFFFAOYSA-N 0 0 316.433 2.728 10 30 DFEERN Cc1nc(CN(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)cs1 ZINC000328761122 334752364 /nfs/dbraw/zinc/75/23/64/334752364.db2.gz YAJXNINIAAVKKV-LBPRGKRZSA-N 0 0 322.434 2.839 10 30 DFEERN Cc1cnc([C@H](C)NC(=O)c2coc(C3CCOCC3)n2)o1 ZINC000328730663 334754011 /nfs/dbraw/zinc/75/40/11/334754011.db2.gz GDTNJXGIARUFJB-JTQLQIEISA-N 0 0 305.334 2.931 10 30 DFEERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328853279 334760343 /nfs/dbraw/zinc/76/03/43/334760343.db2.gz XEAOYURRIRLXFO-HIFRSBDPSA-N 0 0 320.437 2.676 10 30 DFEERN Cn1ncc2c1CCC[C@@H]2NC(=O)C[C@@H]1CCCCNC1=O ZINC000328876009 334762788 /nfs/dbraw/zinc/76/27/88/334762788.db2.gz SIJPBBCKYPSUSK-AAEUAGOBSA-N 0 0 304.394 2.901 10 30 DFEERN Cc1nnc(NC(=O)c2cccc3c2OCC(=O)N3)n1C1CC1 ZINC000329095101 335939826 /nfs/dbraw/zinc/93/98/26/335939826.db2.gz XTNMNUAJTJXUTK-UHFFFAOYSA-N 0 0 313.317 2.538 10 30 DFEERN Cc1ccc(CNC(=O)N2CC(O)(C3CC3)C2)c(OC(C)C)c1 ZINC000329263236 335957401 /nfs/dbraw/zinc/95/74/01/335957401.db2.gz DKPJSYDKNUCZKT-UHFFFAOYSA-N 0 0 318.417 2.653 10 30 DFEERN CN(C(=O)CNC(=O)C[C@@H]1CCCCNC1=O)C1CCCCC1 ZINC000329295189 335960851 /nfs/dbraw/zinc/96/08/51/335960851.db2.gz SHBSNTKNJOSMCL-ZDUSSCGKSA-N 0 0 323.437 2.881 10 30 DFEERN Cc1ccc(C(C)(C)CNC(=O)N2CC(O)(C3CC3)C2)cc1 ZINC000329441475 335976767 /nfs/dbraw/zinc/97/67/67/335976767.db2.gz NADFLGCOTAWZND-UHFFFAOYSA-N 0 0 302.418 2.643 10 30 DFEERN CC(C)(C)C1CCC(O)(CNC(=O)Cc2cncnc2)CC1 ZINC000329538476 335990842 /nfs/dbraw/zinc/99/08/42/335990842.db2.gz VKZUMYXGAUPCKE-UHFFFAOYSA-N 0 0 305.422 2.943 10 30 DFEERN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1C[C@H](F)C[C@H]1CO ZINC000329711649 336066230 /nfs/dbraw/zinc/06/62/30/336066230.db2.gz OUUGPGMSPQYZIO-FXUDXRNXSA-N 0 0 306.381 2.641 10 30 DFEERN COc1ccc2c(c1NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CCC2 ZINC000329823474 336086383 /nfs/dbraw/zinc/08/63/83/336086383.db2.gz QIQLUMGHNXENNU-RVSPLBMKSA-N 0 0 317.385 2.823 10 30 DFEERN CC[C@H](NC(=O)c1cn([C@H]2CCOC2)nn1)c1cccs1 ZINC000330036613 336107954 /nfs/dbraw/zinc/10/79/54/336107954.db2.gz CPNBNDJYSYTQGR-QWRGUYRKSA-N 0 0 306.391 2.757 10 30 DFEERN O=C(Nc1cccc2c1CCCC2)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330046004 336108845 /nfs/dbraw/zinc/10/88/45/336108845.db2.gz ILRITGSCGDNFDO-CYBMUJFWSA-N 0 0 324.384 2.930 10 30 DFEERN Cc1ccc([C@H](C)NC(=O)c2cn([C@H]3CCOC3)nn2)cc1F ZINC000330062538 336110588 /nfs/dbraw/zinc/11/05/88/336110588.db2.gz PGISYNVUDNVHBC-AAEUAGOBSA-N 0 0 318.352 2.753 10 30 DFEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000330110014 336114131 /nfs/dbraw/zinc/11/41/31/336114131.db2.gz PZMXDTQRCXEPFK-FQLMCAECSA-N 0 0 321.421 2.639 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)N3CCO[C@H](C4CC4)C3)sc2C1 ZINC000330123200 336115653 /nfs/dbraw/zinc/11/56/53/336115653.db2.gz HNLJDVKKIWJDCL-MFKMUULPSA-N 0 0 321.446 2.924 10 30 DFEERN Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](C)N2CCOCC2)n1 ZINC000330217733 336125700 /nfs/dbraw/zinc/12/57/00/336125700.db2.gz ITSNBFAKHORIAC-CYBMUJFWSA-N 0 0 314.389 2.694 10 30 DFEERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC(O)(C2CC2)C1 ZINC000330246956 336129401 /nfs/dbraw/zinc/12/94/01/336129401.db2.gz FKJZMKWDCRFYNP-INIZCTEOSA-N 0 0 320.408 2.764 10 30 DFEERN C[C@@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccc(Cl)s1 ZINC000330254574 336130100 /nfs/dbraw/zinc/13/01/00/336130100.db2.gz PHTRJBDVDWFAAX-MRVPVSSYSA-N 0 0 300.811 2.833 10 30 DFEERN CN(CC1(O)CCCCCC1)C(=O)NCCC1CCOCC1 ZINC000330280019 336133049 /nfs/dbraw/zinc/13/30/49/336133049.db2.gz RWRRAXROMRKYNC-UHFFFAOYSA-N 0 0 312.454 2.734 10 30 DFEERN COC1=CC(=O)C(OC(F)(F)C(Cl)(Cl)Cl)=CC1=O ZINC000584658567 337378189 /nfs/dbraw/zinc/37/81/89/337378189.db2.gz GGVLCHRPNIPFNU-UHFFFAOYSA-N 0 0 321.490 2.532 10 30 DFEERN CC(=O)O[C@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640560 337379948 /nfs/dbraw/zinc/37/99/48/337379948.db2.gz BRDSREBOMOCVNJ-WFASDCNBSA-N 0 0 309.369 2.884 10 30 DFEERN CC(C)(C)OC(=O)N[C@H](CN1CCC1)c1ccc(F)c(C#N)c1 ZINC000584644085 337380278 /nfs/dbraw/zinc/38/02/78/337380278.db2.gz RTMQRHLDCMOMEY-OAHLLOKOSA-N 0 0 319.380 2.969 10 30 DFEERN Cn1cnc2c1nc(C#N)nc2-c1ccc(O)c(C(F)(F)F)c1 ZINC000584645475 337380313 /nfs/dbraw/zinc/38/03/13/337380313.db2.gz PBFXZAOJZLOJMG-UHFFFAOYSA-N 0 0 319.246 2.626 10 30 DFEERN NS(=O)(=O)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000514280595 398357663 /nfs/dbraw/zinc/35/76/63/398357663.db2.gz TUPMZLJHZQSZRZ-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN NS(=O)(=O)c1cc(C(F)(F)F)c(F)cc1C(F)(F)F ZINC000514281169 398357776 /nfs/dbraw/zinc/35/77/76/398357776.db2.gz VWEVAYFDILRQPA-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN C#CC(=O)Nc1ccc(Cl)cc1I ZINC000229330385 398355045 /nfs/dbraw/zinc/35/50/45/398355045.db2.gz JEUSSUCRDMHVHS-UHFFFAOYSA-N 0 0 305.502 2.516 10 30 DFEERN C#CCC[C@](C)(O)c1ccc(I)cc1 ZINC000235722496 398362051 /nfs/dbraw/zinc/36/20/51/398362051.db2.gz ZSDAERJQSHXDCG-LBPRGKRZSA-N 0 0 300.139 2.912 10 30 DFEERN C#CCCCOS(=O)(=O)c1ccc(Br)cc1 ZINC000584643662 398396219 /nfs/dbraw/zinc/39/62/19/398396219.db2.gz FBHBHGXMNHSTGL-UHFFFAOYSA-N 0 0 303.177 2.568 10 30 DFEERN CC(C)N[C@@H](C#N)c1ccc(I)cc1 ZINC000306160008 398507516 /nfs/dbraw/zinc/50/75/16/398507516.db2.gz ODNRPSOLEVFWHD-NSHDSACASA-N 0 0 300.143 2.854 10 30 DFEERN Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1C(=O)/C=C/N(C)C ZINC000072415723 191155317 /nfs/dbraw/zinc/15/53/17/191155317.db2.gz XKOUDZOYCXHUBV-MDZDMXLPSA-N 0 0 309.373 2.623 10 30 DFEERN N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O ZINC000003801006 181045892 /nfs/dbraw/zinc/04/58/92/181045892.db2.gz RBWUKXWSNXXLOG-UHFFFAOYSA-N 0 0 321.336 2.996 10 30 DFEERN COc1cc(CN=Nc2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000004921418 181173185 /nfs/dbraw/zinc/17/31/85/181173185.db2.gz JWOPTCJECRDMQB-CXUHLZMHSA-N 0 0 317.301 2.764 10 30 DFEERN N#CC[C@@H](O)c1ncc(Br)cc1Br ZINC000130176020 398843231 /nfs/dbraw/zinc/84/32/31/398843231.db2.gz NRRBZFMRJBGSJG-SSDOTTSWSA-N 0 0 305.957 2.554 10 30 DFEERN CN1C(=O)N(c2cnc(C#Cc3ccccc3)cn2)CC1(C)C ZINC000144064804 398904627 /nfs/dbraw/zinc/90/46/27/398904627.db2.gz RBFAFSYSUQNPLJ-UHFFFAOYSA-N 0 0 306.369 2.527 10 30 DFEERN Cn1ncc([C@H](C#N)c2ccc3ccccc3n2)c(Cl)c1=O ZINC000006188890 181318195 /nfs/dbraw/zinc/31/81/95/181318195.db2.gz XIZDPKCXOATMEH-NSHDSACASA-N 0 0 310.744 2.637 10 30 DFEERN CN/N=C(/Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000006187416 181318421 /nfs/dbraw/zinc/31/84/21/181318421.db2.gz GUBGQBYPVCQKBY-HKWRFOASSA-N 0 0 309.329 2.637 10 30 DFEERN CCC1N=NC(=S)N1N=CC=Cc1ccccc1[N+](=O)[O-] ZINC000006169023 181317322 /nfs/dbraw/zinc/31/73/22/181317322.db2.gz LJCZMTJHNPQDLR-WYMAPRSLSA-N 0 0 303.347 2.585 10 30 DFEERN N#Cc1c2c(sc1NC(=O)CSC1=NCCS1)CCC2 ZINC000006780699 181386819 /nfs/dbraw/zinc/38/68/19/181386819.db2.gz OWSCKTRXYIVZJA-UHFFFAOYSA-N 0 0 323.468 2.883 10 30 DFEERN COC(=O)C(=NNc1ccccc1)NNc1ccccc1Cl ZINC000007060810 181436567 /nfs/dbraw/zinc/43/65/67/181436567.db2.gz LGMLTCYEKBVBJB-UHFFFAOYSA-N 0 0 318.764 2.855 10 30 DFEERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C#N ZINC000007169170 181443261 /nfs/dbraw/zinc/44/32/61/181443261.db2.gz WMJUHQPNMXLHMK-NSHDSACASA-N 0 0 311.297 2.872 10 30 DFEERN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccco3)C12 ZINC000017055957 182073549 /nfs/dbraw/zinc/07/35/49/182073549.db2.gz LTYMYDPDDCQLPA-QFYYESIMSA-N 0 0 322.324 2.880 10 30 DFEERN CN1CCc2cc(C[C@@H](C=O)CNC(=O)OC(C)(C)C)ccc21 ZINC000098095847 193785417 /nfs/dbraw/zinc/78/54/17/193785417.db2.gz AAAYULDZXOCSIE-CQSZACIVSA-N 0 0 318.417 2.561 10 30 DFEERN C#CCOc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1OCC ZINC000033417634 182710272 /nfs/dbraw/zinc/71/02/72/182710272.db2.gz QYBWKUIIKOEGHS-GXDHUFHOSA-N 0 0 317.366 2.763 10 30 DFEERN CCn1c(C#N)ccc1-c1ccc(NS(=O)(=O)CC)cc1 ZINC000034949263 182745805 /nfs/dbraw/zinc/74/58/05/182745805.db2.gz AAPLYXQJPPJQQF-UHFFFAOYSA-N 0 0 303.387 2.808 10 30 DFEERN N#Cc1ccc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)cc1 ZINC000039963449 183026034 /nfs/dbraw/zinc/02/60/34/183026034.db2.gz IIYZUTXEIOWTKH-UHFFFAOYSA-N 0 0 321.311 2.651 10 30 DFEERN CCN(CC(=O)Nc1cccc(Br)c1)C[C@@H](C)C#N ZINC000042324002 183253851 /nfs/dbraw/zinc/25/38/51/183253851.db2.gz LOGSPAHEKFNGFY-NSHDSACASA-N 0 0 324.222 2.869 10 30 DFEERN CCN(CC(=O)Nc1cccc(Br)c1)C[C@H](C)C#N ZINC000042324005 183254560 /nfs/dbraw/zinc/25/45/60/183254560.db2.gz LOGSPAHEKFNGFY-LLVKDONJSA-N 0 0 324.222 2.869 10 30 DFEERN C#C[C@](C(=O)OC)(N(CC=C)C(=O)OC(C)(C)C)C(F)(F)F ZINC000043464675 183365258 /nfs/dbraw/zinc/36/52/58/183365258.db2.gz UOVJQWVNVOQLLV-CYBMUJFWSA-N 0 0 321.295 2.517 10 30 DFEERN N#C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000057634031 184043150 /nfs/dbraw/zinc/04/31/50/184043150.db2.gz ANGDYLZCXFZGNQ-QMMMGPOBSA-N 0 0 305.186 2.670 10 30 DFEERN N#Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000616613655 399489987 /nfs/dbraw/zinc/48/99/87/399489987.db2.gz RBTREXOCIZUSFZ-OAHLLOKOSA-N 0 0 312.394 2.736 10 30 DFEERN CC(C)(C)OC(=O)N1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616662097 399495689 /nfs/dbraw/zinc/49/56/89/399495689.db2.gz GOBNBJTVNKTVJV-CQSZACIVSA-N 0 0 302.374 2.909 10 30 DFEERN CS(=O)(=O)N1C[C@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616674450 399497028 /nfs/dbraw/zinc/49/70/28/399497028.db2.gz UAGKIXJIHKDMQD-OAHLLOKOSA-N 0 0 312.394 2.664 10 30 DFEERN CN(C)C=Nc1nn(C)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000254443176 256617011 /nfs/dbraw/zinc/61/70/11/256617011.db2.gz URUZVDCLZMVLGV-UHFFFAOYSA-N 0 0 323.759 2.686 10 30 DFEERN N#Cc1ccccc1CN1Cc2ccnn2[C@H](COCC2CC2)C1 ZINC000247646355 257118546 /nfs/dbraw/zinc/11/85/46/257118546.db2.gz KHUZJFDMEXMMTL-IBGZPJMESA-N 0 0 322.412 2.738 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000257137523 257213012 /nfs/dbraw/zinc/21/30/12/257213012.db2.gz XSEGWEUVSZRCBC-QMNHEYIKSA-N 0 0 304.430 2.850 10 30 DFEERN N#Cc1cccnc1N1CCc2oc(-c3ccccn3)nc2C1 ZINC000064526565 425901816 /nfs/dbraw/zinc/90/18/16/425901816.db2.gz RPQBRHRQPZEGIT-UHFFFAOYSA-N 0 0 303.325 2.566 10 30 DFEERN C=CCNc1nc(N)c(C(=O)OCc2ccccc2)nc1Cl ZINC000002576670 425597334 /nfs/dbraw/zinc/59/73/34/425597334.db2.gz ZKKUBRWDZPNISJ-UHFFFAOYSA-N 0 0 318.764 2.667 10 30 DFEERN Cn1ncc(Cl)c([C@H](C#N)c2ccc3ccccc3n2)c1=O ZINC000013223911 425750151 /nfs/dbraw/zinc/75/01/51/425750151.db2.gz WOKWDXXOPDJWLV-LLVKDONJSA-N 0 0 310.744 2.637 10 30 DFEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000334060258 268326628 /nfs/dbraw/zinc/32/66/28/268326628.db2.gz YFOSWFFTMUQGBR-RDTXWAMCSA-N 0 0 309.369 2.856 10 30 DFEERN Cc1ccc(C2=[N+]([O-])[C@]3(CCCCC/C3=N\O)N(O)C2(C)C)o1 ZINC000149584872 426259521 /nfs/dbraw/zinc/25/95/21/426259521.db2.gz MKCCRUDGUMQZFI-VAFHRPCXSA-O 0 0 322.385 2.753 10 30 DFEERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000095075426 426363090 /nfs/dbraw/zinc/36/30/90/426363090.db2.gz PEHBSKCDVPVNED-AWEZNQCLSA-N 0 0 316.405 2.646 10 30 DFEERN S=C1N=NCN1N=Cc1ccc(COc2ccccc2)o1 ZINC000254622823 427221439 /nfs/dbraw/zinc/22/14/39/427221439.db2.gz FXVPCUBPRBDPNS-UHFFFAOYSA-N 0 0 300.343 2.621 10 30 DFEERN O=S(=O)(NN=Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000254714287 427223277 /nfs/dbraw/zinc/22/32/77/427223277.db2.gz RJILUDDKXWSHJZ-UHFFFAOYSA-N 0 0 312.753 2.792 10 30 DFEERN CC(C)(C)OC(=O)N1CCC(O)(c2ccc(C#N)cc2)CC1 ZINC000095836194 275518545 /nfs/dbraw/zinc/51/85/45/275518545.db2.gz LWZHDEZITOLTMP-UHFFFAOYSA-N 0 0 302.374 2.777 10 30 DFEERN N#Cc1cc(F)cc(OC(F)F)c1I ZINC000575660333 430088664 /nfs/dbraw/zinc/08/86/64/430088664.db2.gz XRGZISWKDTZASP-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#CCc1c(N)cc(OC(F)F)cc1I ZINC000575717978 430097112 /nfs/dbraw/zinc/09/71/12/430097112.db2.gz WSZVFRRYAKNORK-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1c(C#N)cc(SC(F)(F)F)cc1C=O ZINC000575391030 430080831 /nfs/dbraw/zinc/08/08/31/430080831.db2.gz DQWUWUFOMNKCNF-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)Cc1c(C#N)ccc(OC)c1SC(F)(F)F ZINC000575395094 430082789 /nfs/dbraw/zinc/08/27/89/430082789.db2.gz XODUEKZYXTZYGZ-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1c(OC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575395546 430082857 /nfs/dbraw/zinc/08/28/57/430082857.db2.gz GMWPDWFXOPCNJL-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN 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430083006 /nfs/dbraw/zinc/08/30/06/430083006.db2.gz OBSYCVXCABWEON-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575394843 430083192 /nfs/dbraw/zinc/08/31/92/430083192.db2.gz XDKBRLDNTKEEJA-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c(OC)cc1OC(F)(F)F ZINC000575394468 430083409 /nfs/dbraw/zinc/08/34/09/430083409.db2.gz MAKZKSHZCMFVSC-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)c1cc(OC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395851 430083813 /nfs/dbraw/zinc/08/38/13/430083813.db2.gz SGDJKSAXZRDNCA-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOc1cc(I)c(CC#N)c(C#N)c1 ZINC000575643926 430086874 /nfs/dbraw/zinc/08/68/74/430086874.db2.gz DZMPNLTXMMDQIQ-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN CC(C)(C)[S@](=O)/N=C1/CCO[C@H]1COCc1ccccc1 ZINC000584645942 430477327 /nfs/dbraw/zinc/47/73/27/430477327.db2.gz HAECSHDUKJKBHV-WOIJKICCSA-N 0 0 309.431 2.895 10 30 DFEERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328633133 334745033 /nfs/dbraw/zinc/74/50/33/334745033.db2.gz ASXBKWBTOKTTRV-ZIAGYGMSSA-N 0 0 323.437 2.879 10 30 DFEERN N#CCSc1cccc(C(=O)N2CCC[C@H]3COCC[C@@H]32)c1 ZINC000328870122 334762313 /nfs/dbraw/zinc/76/23/13/334762313.db2.gz PLDIILNNQLYJOI-HOCLYGCPSA-N 0 0 316.426 2.943 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328873049 334762640 /nfs/dbraw/zinc/76/26/40/334762640.db2.gz FCILLEKOFVUVNL-YWPYICTPSA-N 0 0 307.394 2.987 10 30 DFEERN O=C(NCCC1CCOCC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329279544 335958892 /nfs/dbraw/zinc/95/88/92/335958892.db2.gz LRGDSXXHNIZREL-HNNXBMFYSA-N 0 0 306.410 2.667 10 30 DFEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000329351427 335967189 /nfs/dbraw/zinc/96/71/89/335967189.db2.gz FJCLGVUYTLMGTD-WCQYABFASA-N 0 0 304.394 2.608 10 30 DFEERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000329403929 335972254 /nfs/dbraw/zinc/97/22/54/335972254.db2.gz ZVPGTSKJYSAZOL-CYBMUJFWSA-N 0 0 304.394 2.610 10 30 DFEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H](O)C2)C1 ZINC000329777330 336080646 /nfs/dbraw/zinc/08/06/46/336080646.db2.gz PAQVQWHOAFFAKE-JKQORVJESA-N 0 0 302.418 2.858 10 30 DFEERN C[C@H](CC(=O)N[C@H]1CCCc2c1cnn2C)N1CCCCC1=O ZINC000329967124 336100911 /nfs/dbraw/zinc/10/09/11/336100911.db2.gz SHQPAWNDUVVVHR-OCCSQVGLSA-N 0 0 318.421 2.545 10 30 DFEERN CCc1nnc(C)cc1C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000329989795 336103154 /nfs/dbraw/zinc/10/31/54/336103154.db2.gz IKWNNPHGDJBVKL-AWEZNQCLSA-N 0 0 324.428 2.961 10 30 DFEERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@@H]1O ZINC000330024826 336107095 /nfs/dbraw/zinc/10/70/95/336107095.db2.gz KCZADZTVBYCZDR-RLCCDNCMSA-N 0 0 306.381 2.820 10 30 DFEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000330037475 336108128 /nfs/dbraw/zinc/10/81/28/336108128.db2.gz ZFJQQBNZFKAEMX-XBVQOTNRSA-N 0 0 318.417 2.978 10 30 DFEERN O=C(N[C@@H]1CCCSC1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000330135975 336116840 /nfs/dbraw/zinc/11/68/40/336116840.db2.gz 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/nfs/dbraw/zinc/38/22/04/185382204.db2.gz LIGJIQAEZFSGOU-UHFFFAOYSA-N 0 0 318.380 2.576 10 30 DFEERN NS(=O)(=O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1F ZINC000514281180 398357808 /nfs/dbraw/zinc/35/78/08/398357808.db2.gz XDCMRYOTAUHKCA-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN COc1cccc(C=N/N=C/c2cccc(OC)c2O)c1O ZINC000245263442 398381331 /nfs/dbraw/zinc/38/13/31/398381331.db2.gz AACLWARNDYMNGI-PKSQHMBRSA-N 0 0 300.314 2.568 10 30 DFEERN CC(C)(C)OC(=O)N[C@H](CN1CCC1)c1ccc(C#N)cc1 ZINC000584643743 398396235 /nfs/dbraw/zinc/39/62/35/398396235.db2.gz MFVDBGUPYIUROO-OAHLLOKOSA-N 0 0 301.390 2.830 10 30 DFEERN Cc1ccc(I)cc1NC(=O)[C@@H](C)S ZINC000301006759 398493689 /nfs/dbraw/zinc/49/36/89/398493689.db2.gz ZFKDLLQGKDLTGK-SSDOTTSWSA-N 0 0 321.183 2.856 10 30 DFEERN CN[C@H](C#N)c1cc(Br)cc(Br)c1 ZINC000307345152 398510768 /nfs/dbraw/zinc/51/07/68/398510768.db2.gz AIFFSHHAICVSBL-SECBINFHSA-N 0 0 303.985 2.996 10 30 DFEERN Cc1ccc(C(=O)On2c(C)nc3ccccc3c2=O)cc1C ZINC000000069654 180683124 /nfs/dbraw/zinc/68/31/24/180683124.db2.gz OGLUFMFBZJDXGA-UHFFFAOYSA-N 0 0 308.337 2.591 10 30 DFEERN CC(=C\[C@H](C)C(=O)c1ccc(N(C)C)cc1)/C=C\C(=O)NO ZINC000003873639 181050477 /nfs/dbraw/zinc/05/04/77/181050477.db2.gz RTKIYFITIVXBLE-QVUSVIEQSA-N 0 0 302.374 2.579 10 30 DFEERN CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 ZINC000004832804 181158612 /nfs/dbraw/zinc/15/86/12/181158612.db2.gz VKSOIYNNOFGGES-MDWZMJQESA-N 0 0 300.318 2.800 10 30 DFEERN Cc1ccc(S(=O)(=O)OCC[C@H](O)c2ccccc2)cc1 ZINC000116243790 398759290 /nfs/dbraw/zinc/75/92/90/398759290.db2.gz CNUVANOGFNPWQQ-INIZCTEOSA-N 0 0 306.383 2.824 10 30 DFEERN Cc1ccc(S(=O)(=O)OCC[C@@H](O)c2ccccc2)cc1 ZINC000116243792 398759441 /nfs/dbraw/zinc/75/94/41/398759441.db2.gz CNUVANOGFNPWQQ-MRXNPFEDSA-N 0 0 306.383 2.824 10 30 DFEERN COc1ccc(CC(=O)n2c(CC#N)nc3ccccc32)cc1 ZINC000005580751 181259886 /nfs/dbraw/zinc/25/98/86/181259886.db2.gz NURXNMFRDKPQQG-UHFFFAOYSA-N 0 0 305.337 2.994 10 30 DFEERN CC(C)(C)OC(=O)c1ccc(CCCOS(C)(=O)=O)cc1 ZINC000136928890 398875432 /nfs/dbraw/zinc/87/54/32/398875432.db2.gz QXQROKKEXSLPFP-UHFFFAOYSA-N 0 0 314.403 2.551 10 30 DFEERN Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccccc1)C(=O)N2 ZINC000006079466 181310674 /nfs/dbraw/zinc/31/06/74/181310674.db2.gz KTWORJQJNNZKMT-UHFFFAOYSA-N 0 0 310.382 2.638 10 30 DFEERN Cn1c(=O)oc2cc(/C=C3\COc4ccccc4C3=O)ccc21 ZINC000606443560 399072399 /nfs/dbraw/zinc/07/23/99/399072399.db2.gz GQSYCCJTWPJIDN-XYOKQWHBSA-N 0 0 307.305 2.790 10 30 DFEERN C=CCNC(=O)c1csc(Nc2ccc(OC)cc2OC)n1 ZINC000009209044 181607425 /nfs/dbraw/zinc/60/74/25/181607425.db2.gz GPOBPZOOTWIWEI-UHFFFAOYSA-N 0 0 319.386 2.820 10 30 DFEERN CCNC(=S)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 ZINC000012239296 181743627 /nfs/dbraw/zinc/74/36/27/181743627.db2.gz HZOOETSHPXNSJY-UHFFFAOYSA-N 0 0 322.397 2.598 10 30 DFEERN C=CCNC(=O)N1CCC[C@H](C(=O)c2cc(F)ccc2OC)C1 ZINC000012573861 181778233 /nfs/dbraw/zinc/77/82/33/181778233.db2.gz HHBRFKKOPNZAOQ-LBPRGKRZSA-N 0 0 320.364 2.625 10 30 DFEERN Cn1cccc1/C=C1\S/C(=N\c2cccc(O)c2)N(C)C1=O ZINC000016904589 182063645 /nfs/dbraw/zinc/06/36/45/182063645.db2.gz QPQNGUWPBJSWNR-IAENUNMASA-N 0 0 313.382 2.965 10 30 DFEERN N/C(=N\O)c1ccnc(Oc2ccccc2Br)c1 ZINC000019439462 182123029 /nfs/dbraw/zinc/12/30/29/182123029.db2.gz QWARSSAXZGJXJR-UHFFFAOYSA-N 0 0 308.135 2.731 10 30 DFEERN O=C(c1ccc(F)cc1Br)N1CCC(=NO)CC1 ZINC000019423757 182122539 /nfs/dbraw/zinc/12/25/39/182122539.db2.gz BGRSQMGUIQWOLG-UHFFFAOYSA-N 0 0 315.142 2.654 10 30 DFEERN O=C(c1cc(Br)ccc1F)N1CCC(=NO)CC1 ZINC000019480586 182125082 /nfs/dbraw/zinc/12/50/82/182125082.db2.gz MGTQBCWDAZAUJC-UHFFFAOYSA-N 0 0 315.142 2.654 10 30 DFEERN C/C(=N\O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000019985397 182173632 /nfs/dbraw/zinc/17/36/32/182173632.db2.gz AWTJYLUNDNHSCC-MHWRWJLKSA-N 0 0 308.334 2.825 10 30 DFEERN CSc1nc2n(n1)[C@H](c1ccc(C)o1)C1C(=O)CCCC1=N2 ZINC000020093414 182185890 /nfs/dbraw/zinc/18/58/90/182185890.db2.gz JPYVVFFGBFFACO-CYBMUJFWSA-N 0 0 316.386 2.923 10 30 DFEERN CN1CCN(/N=C/C(Br)=C/c2ccccc2)CC1 ZINC000020927180 182254302 /nfs/dbraw/zinc/25/43/02/182254302.db2.gz SPGPVJVHLDSDDT-ILYHAJGMSA-N 0 0 308.223 2.656 10 30 DFEERN CS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000021010676 182260275 /nfs/dbraw/zinc/26/02/75/182260275.db2.gz JIUCHZNHJXMTCC-UHFFFAOYSA-N 0 0 304.346 2.713 10 30 DFEERN Cc1ccc(S(=O)(=O)N[C@H](C#N)c2ccccc2)cc1C ZINC000040216590 183046313 /nfs/dbraw/zinc/04/63/13/183046313.db2.gz YKVIYEBXAXJXOY-MRXNPFEDSA-N 0 0 300.383 2.847 10 30 DFEERN C#CCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000040276867 183050726 /nfs/dbraw/zinc/05/07/26/183050726.db2.gz BAFWHVWOKYRYOF-UHFFFAOYSA-N 0 0 303.365 2.908 10 30 DFEERN C=CCNc1ncnc(Nc2ccc(C(=O)OCC)cc2)c1N ZINC000040708952 183120667 /nfs/dbraw/zinc/12/06/67/183120667.db2.gz HPIPKSPTGYILRC-UHFFFAOYSA-N 0 0 313.361 2.577 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(C#N)ccn2)C1 ZINC000043220298 183345103 /nfs/dbraw/zinc/34/51/03/183345103.db2.gz KTEGNWDORFBCHD-ZDUSSCGKSA-N 0 0 303.362 2.732 10 30 DFEERN N#CCCCCN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000049578688 183743802 /nfs/dbraw/zinc/74/38/02/183743802.db2.gz WKKQNIQGAAJTNB-UHFFFAOYSA-N 0 0 307.147 2.672 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H](O)C[C@@H]2O ZINC000256440891 257104408 /nfs/dbraw/zinc/10/44/08/257104408.db2.gz KYGUQDTWUBBBSD-HTOQQRHYSA-N 0 0 304.430 2.850 10 30 DFEERN C[C@@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000257137521 257213049 /nfs/dbraw/zinc/21/30/49/257213049.db2.gz XSEGWEUVSZRCBC-KBIUBDJASA-N 0 0 304.430 2.850 10 30 DFEERN N#Cc1ccc(OC2CN(C(=O)NC[C@H]3CC=CCC3)C2)cc1 ZINC000134136368 196364156 /nfs/dbraw/zinc/36/41/56/196364156.db2.gz DXCFSXCDCMBZKG-HNNXBMFYSA-N 0 0 311.385 2.687 10 30 DFEERN N#Cc1ccc(Cn2c3ccccc3nc2N2CC[C@@H](O)C2)cc1 ZINC000095077700 426363874 /nfs/dbraw/zinc/36/38/74/426363874.db2.gz WTZSMBTYLLMEPY-MRXNPFEDSA-N 0 0 318.380 2.527 10 30 DFEERN Cc1cc(C)c(OC(C)(C)C(=O)NO)c(Br)c1 ZINC000226290830 426617724 /nfs/dbraw/zinc/61/77/24/426617724.db2.gz NTAMTJWUCQBVHB-UHFFFAOYSA-N 0 0 302.168 2.729 10 30 DFEERN O=c1oc(C#Cc2ccccc2)nc(O)c1-c1ccc(F)cc1 ZINC000095835516 275044280 /nfs/dbraw/zinc/04/42/80/275044280.db2.gz GSIJPJXZTVFHHX-UHFFFAOYSA-N 0 0 307.280 2.946 10 30 DFEERN CCOc1c(I)cc(CC#N)cc1C#N ZINC000575643915 430087693 /nfs/dbraw/zinc/08/76/93/430087693.db2.gz DWWIGIKTAKKBNX-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN N#Cc1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000575694274 430093285 /nfs/dbraw/zinc/09/32/85/430093285.db2.gz HUWWXTMUMLXEQU-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN CCOc1cc(OC)c(CC#N)cc1I ZINC000575697730 430093877 /nfs/dbraw/zinc/09/38/77/430093877.db2.gz JAEBDBLBCQRMIP-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545734 276902213 /nfs/dbraw/zinc/90/22/13/276902213.db2.gz INGPAEPDXQCNPO-SJORKVTESA-N 0 0 312.413 2.679 10 30 DFEERN COC(=O)Cc1cc(Br)c(C(F)F)c(C#N)c1 ZINC000575341595 430078608 /nfs/dbraw/zinc/07/86/08/430078608.db2.gz DITZGKQDSNJWRE-UHFFFAOYSA-N 0 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2.894 10 30 DFEERN CCOC(=O)c1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C#N ZINC000575395629 430082478 /nfs/dbraw/zinc/08/24/78/430082478.db2.gz LFFDGKHZTQCGPJ-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1c(C#N)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575395775 430082491 /nfs/dbraw/zinc/08/24/91/430082491.db2.gz PWKWUPMBPRVVFP-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1SC(F)(F)F ZINC000575394814 430083217 /nfs/dbraw/zinc/08/32/17/430083217.db2.gz WDYWGMHHCFDNJI-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN CCOc1cc(I)cc(CC#N)c1C#N ZINC000575643794 430087067 /nfs/dbraw/zinc/08/70/67/430087067.db2.gz CCSWAHYJYWACNX-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN C[C@H](NC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccncc1F ZINC000328736889 334750740 /nfs/dbraw/zinc/75/07/40/334750740.db2.gz LJROGXMBKQZSII-GXTWGEPZSA-N 0 0 321.396 2.944 10 30 DFEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)N1CCCCC1=O ZINC000328757812 334752360 /nfs/dbraw/zinc/75/23/60/334752360.db2.gz 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336129209 /nfs/dbraw/zinc/12/92/09/336129209.db2.gz COQZDOZJAMYMSX-YRGRVCCFSA-N 0 0 308.378 2.892 10 30 DFEERN C[C@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000330251171 336130013 /nfs/dbraw/zinc/13/00/13/336130013.db2.gz NIZZZJOPYOYURA-ZDUSSCGKSA-N 0 0 314.429 2.997 10 30 DFEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(Cl)nc3)c21 ZINC000584618158 337373234 /nfs/dbraw/zinc/37/32/34/337373234.db2.gz BCYGECZLTNCLPZ-UHFFFAOYSA-N 0 0 310.744 2.864 10 30 DFEERN CC(C)(C)OC(=O)[C@@H](C#N)c1ccc(OC(F)(F)F)cn1 ZINC000584628410 337376345 /nfs/dbraw/zinc/37/63/45/337376345.db2.gz FSURULHIPVYYRR-VIFPVBQESA-N 0 0 302.252 2.929 10 30 DFEERN C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](O)CC1=CC(=O)CC[C@@]13C ZINC000005764535 560203089 /nfs/dbraw/zinc/20/30/89/560203089.db2.gz RNCGWYKXAJCOLD-JUKXBMAYSA-N 0 0 304.430 2.850 10 30 in-vitro DFEERN COc1ccccc1C1(C#N)CCN(C(=O)NC(C)C)CC1 ZINC000219246719 398346534 /nfs/dbraw/zinc/34/65/34/398346534.db2.gz DDBAUOGQLNHVOF-UHFFFAOYSA-N 0 0 301.390 2.670 10 30 DFEERN O=CC[C@@H](C1CCCC1)n1cc(-c2ncnn3cccc23)cn1 ZINC000221825142 398347276 /nfs/dbraw/zinc/34/72/76/398347276.db2.gz ILYZBFIMLFNROZ-HNNXBMFYSA-N 0 0 309.373 2.913 10 30 DFEERN C[C@@H](S)C(=O)Nc1cccc(I)c1 ZINC000235298807 398360807 /nfs/dbraw/zinc/36/08/07/398360807.db2.gz MMIITPKWUQEECD-ZCFIWIBFSA-N 0 0 307.156 2.548 10 30 DFEERN C[C@H](S)C(=O)Nc1ccc(I)cc1 ZINC000235564316 398361572 /nfs/dbraw/zinc/36/15/72/398361572.db2.gz LTBCORNHQMYQGZ-LURJTMIESA-N 0 0 307.156 2.548 10 30 DFEERN C#CCCCNc1ncc(F)cc1I ZINC000306568300 398508604 /nfs/dbraw/zinc/50/86/04/398508604.db2.gz UMYMAMDAHQVEPT-UHFFFAOYSA-N 0 0 304.106 2.651 10 30 DFEERN C=C(Cl)CNc1ncc(F)cc1I ZINC000307260125 398510912 /nfs/dbraw/zinc/51/09/12/398510912.db2.gz LZSYMSASWDDAHG-UHFFFAOYSA-N 0 0 312.513 2.990 10 30 DFEERN N#C[C@@H]1CCCC[C@H]1n1cc(I)cn1 ZINC000070677611 398595220 /nfs/dbraw/zinc/59/52/20/398595220.db2.gz JMTKTYJLVACXGM-WCBMZHEXSA-N 0 0 301.131 2.743 10 30 DFEERN CCCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCC)C2 ZINC000004281035 181092200 /nfs/dbraw/zinc/09/22/00/181092200.db2.gz SBKXWRRNXRQPBT-UHFFFAOYSA-N 0 0 321.402 2.873 10 30 DFEERN COc1cc(C=NNc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000004926107 181173535 /nfs/dbraw/zinc/17/35/35/181173535.db2.gz ZDABZUPKTBCALJ-CXUHLZMHSA-N 0 0 317.301 2.764 10 30 DFEERN CN(C)/C=N/c1ncc(Br)cc1Br ZINC000005248044 181221072 /nfs/dbraw/zinc/22/10/72/181221072.db2.gz SGSJVDZCLWPDGX-LFYBBSHMSA-N 0 0 306.989 2.828 10 30 DFEERN N#Cc1ccc(C[N@H+]2Cc3cc(F)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000016082858 283143679 /nfs/dbraw/zinc/14/36/79/283143679.db2.gz KHIKBXPTHGXKLX-KRWDZBQOSA-N 0 0 310.328 2.709 10 30 DFEERN N#Cc1c(=O)n2c(nc1-c1ccccc1Cl)SCCC2 ZINC000005607349 181263026 /nfs/dbraw/zinc/26/30/26/181263026.db2.gz GXGOSCIBBWDFLF-UHFFFAOYSA-N 0 0 303.774 2.931 10 30 DFEERN C#CC(O)(C#C)C[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000141823082 398896114 /nfs/dbraw/zinc/89/61/14/398896114.db2.gz OZFHYNWGZHVNPE-JOCHJYFZSA-N 0 0 308.402 2.522 10 30 DFEERN C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000006189169 181318193 /nfs/dbraw/zinc/31/81/93/181318193.db2.gz GGAZEBJGEXECPT-LDADJPATSA-N 0 0 310.313 2.517 10 30 DFEERN O=C(CCS)Nc1ccc(I)cc1 ZINC000170230981 399005723 /nfs/dbraw/zinc/00/57/23/399005723.db2.gz HMFBRFCBGYHWSB-UHFFFAOYSA-N 0 0 307.156 2.550 10 30 DFEERN COc1cc(C=NNC2=NCCCCC2)cc(OC)c1OC ZINC000606367125 399060175 /nfs/dbraw/zinc/06/01/75/399060175.db2.gz VKMKWDMZWBCLIT-UHFFFAOYSA-N 0 0 305.378 2.608 10 30 DFEERN CCCCCCCSC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000059568504 399110559 /nfs/dbraw/zinc/11/05/59/399110559.db2.gz WQKURFGTBIYKEC-LBPRGKRZSA-N 0 0 307.481 2.834 10 30 DFEERN CCCCCCCSC(=S)NC[C@@H]1CCS(=O)(=O)C1 ZINC000059568502 399110993 /nfs/dbraw/zinc/11/09/93/399110993.db2.gz FGKTXSYDSZAPDT-LBPRGKRZSA-N 0 0 323.549 2.999 10 30 DFEERN O=C(OCc1ccccc1)N1C=C(Br)C(=O)CC1 ZINC000095080447 193418407 /nfs/dbraw/zinc/41/84/07/193418407.db2.gz UEPVZNYZDVBQBD-UHFFFAOYSA-N 0 0 310.147 2.834 10 30 DFEERN CCOC(=O)[C@H](CC)/C(C)=N\NC(=S)Nc1ccccc1 ZINC000012582270 181779413 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ZINC000040598771 183107775 /nfs/dbraw/zinc/10/77/75/183107775.db2.gz RQEGXSBGRWPBAY-UHFFFAOYSA-N 0 0 301.306 2.735 10 30 DFEERN Cn1cc(C(=O)Nc2ccccc2C#N)c(=O)c2cc(F)ccc21 ZINC000041056203 183160227 /nfs/dbraw/zinc/16/02/27/183160227.db2.gz XLQTYTQLCPFDAO-UHFFFAOYSA-N 0 0 321.311 2.802 10 30 DFEERN CS(=O)(=O)N1C[C@@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616691132 399499567 /nfs/dbraw/zinc/49/95/67/399499567.db2.gz UAGKIXJIHKDMQD-HNNXBMFYSA-N 0 0 312.394 2.664 10 30 DFEERN Nc1nnnn1/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000114993 425537901 /nfs/dbraw/zinc/53/79/01/425537901.db2.gz VULMLFKSMVIYNL-SOFYXZRVSA-N 0 0 323.143 2.704 10 30 DFEERN CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O ZINC000002701585 425600783 /nfs/dbraw/zinc/60/07/83/425600783.db2.gz OPPYEOFJBSMVGZ-OAHLLOKOSA-N 0 0 300.358 2.732 10 30 DFEERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ncccc1C#N ZINC000095075438 426363109 /nfs/dbraw/zinc/36/31/09/426363109.db2.gz QCJPNFDPNZHDEK-ZDUSSCGKSA-N 0 0 316.405 2.646 10 30 DFEERN O=C1CSC(=S)N1N=Cc1cc(Br)cs1 ZINC000254746089 427221622 /nfs/dbraw/zinc/22/16/22/427221622.db2.gz VYPNTPCPIMPLJM-UHFFFAOYSA-N 0 0 321.246 2.705 10 30 DFEERN Cc1ccc(OCCOc2cccc(C=Nn3cnnc3)c2)cc1 ZINC000254740913 427223117 /nfs/dbraw/zinc/22/31/17/427223117.db2.gz MUZXWNFPRJKPDP-UHFFFAOYSA-N 0 0 322.368 2.927 10 30 DFEERN N#Cc1cc(F)c(I)c(OC(F)F)c1 ZINC000575660282 430088846 /nfs/dbraw/zinc/08/88/46/430088846.db2.gz XCLCDXGBLPUCPR-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1c(F)ccc(OC(F)F)c1I ZINC000575660462 430089352 /nfs/dbraw/zinc/08/93/52/430089352.db2.gz ZXHWUNNCKWKCDB-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1cc(Br)cc(Br)c1[N+](=O)[O-] ZINC000575695634 430092804 /nfs/dbraw/zinc/09/28/04/430092804.db2.gz VNWCGNBWEJBNSE-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN N#CCc1ccc(I)c(OC(F)F)c1N ZINC000575716778 430097059 /nfs/dbraw/zinc/09/70/59/430097059.db2.gz JARXLUBQHZYWIG-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN N#CCc1cc(I)c(OC(F)F)cc1N ZINC000575716404 430097373 /nfs/dbraw/zinc/09/73/73/430097373.db2.gz DHUNWODJVSRREW-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN Cc1ccc([C@@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 ZINC000575330098 430078545 /nfs/dbraw/zinc/07/85/45/430078545.db2.gz KSQADBNRBZSDHX-OLUWZOPHSA-N 0 0 303.407 2.618 10 30 DFEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1Br ZINC000575341606 430078759 /nfs/dbraw/zinc/07/87/59/430078759.db2.gz JDMKRHZSTSDJNY-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1Br ZINC000575341610 430079038 /nfs/dbraw/zinc/07/90/38/430079038.db2.gz KUICGLJNZPFHMN-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1cc(C#N)cc(Br)c1C(F)F ZINC000575341594 430079150 /nfs/dbraw/zinc/07/91/50/430079150.db2.gz DFCRXFDRRFHAEM-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1OC(F)F ZINC000575388253 430081909 /nfs/dbraw/zinc/08/19/09/430081909.db2.gz PZFFYJJDSBMBHX-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN CCOC(=O)c1c(C#N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395727 430082292 /nfs/dbraw/zinc/08/22/92/430082292.db2.gz NJKBUMFHEAGOQA-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1cc(OC)c(C#N)cc1OC(F)(F)F ZINC000575395142 430082343 /nfs/dbraw/zinc/08/23/43/430082343.db2.gz XYXQARZLCLKVFI-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)Cc1c(SC(F)(F)F)ccc(OC)c1C#N ZINC000575394155 430082378 /nfs/dbraw/zinc/08/23/78/430082378.db2.gz FYXKMOTXLWNWMC-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575395493 430082418 /nfs/dbraw/zinc/08/24/18/430082418.db2.gz GBMIKENUWSDPOB-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575393769 430082631 /nfs/dbraw/zinc/08/26/31/430082631.db2.gz IUCOZEYOUOCIFZ-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1cc(OC)c(C#N)cc1SC(F)(F)F ZINC000575394641 430082701 /nfs/dbraw/zinc/08/27/01/430082701.db2.gz PZJHTZMTHBBKOO-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1c(SC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575393489 430083059 /nfs/dbraw/zinc/08/30/59/430083059.db2.gz COBKHKPWHPZCTD-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN CCOC(=O)Cc1cc(C#N)cc(OC)c1OC(F)(F)F ZINC000575395127 430083187 /nfs/dbraw/zinc/08/31/87/430083187.db2.gz XIJGMUSNZHARKV-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575395906 430083733 /nfs/dbraw/zinc/08/37/33/430083733.db2.gz VRGGMNZGGZWISK-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C#N ZINC000575447813 430084368 /nfs/dbraw/zinc/08/43/68/430084368.db2.gz BFTGPOIQJWKWKB-HOTGVXAUSA-N 0 0 315.417 2.925 10 30 DFEERN CC(C)(C#N)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000070139337 331648894 /nfs/dbraw/zinc/64/88/94/331648894.db2.gz XNFWLKILDWSTLX-UHFFFAOYSA-N 0 0 309.772 2.539 10 30 DFEERN C[C@H](C#N)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000109445026 333013756 /nfs/dbraw/zinc/01/37/56/333013756.db2.gz QQVOEHZCQDCQFO-SNVBAGLBSA-N 0 0 312.200 2.663 10 30 DFEERN Cn1ccc2c(NC(=O)CC3(O)CCCC3)cccc2c1=O ZINC000328657763 334746216 /nfs/dbraw/zinc/74/62/16/334746216.db2.gz PSQVVJLWPIOOBZ-UHFFFAOYSA-N 0 0 300.358 2.822 10 30 DFEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)[C@@H]2OCC[C@@H]2C(C)C)cnn1C ZINC000329632119 336020399 /nfs/dbraw/zinc/02/03/99/336020399.db2.gz IMFYNRZHLOWUQO-SLBVQIDZSA-N 0 0 321.421 2.576 10 30 DFEERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329766687 336079425 /nfs/dbraw/zinc/07/94/25/336079425.db2.gz YMEBQOGKAHVYTG-NVNOCSQKSA-N 0 0 320.355 2.724 10 30 DFEERN O=C(NCCC1CCOCC1)N1CCCC2(CCOCC2)C1 ZINC000329815578 336085376 /nfs/dbraw/zinc/08/53/76/336085376.db2.gz VHCHDHMWSGEYIS-UHFFFAOYSA-N 0 0 310.438 2.610 10 30 DFEERN CC(C)c1nnc([C@H]2CN(C(=O)N[C@H]3CC[C@@H](C)C3)CCO2)o1 ZINC000329896249 336093252 /nfs/dbraw/zinc/09/32/52/336093252.db2.gz CKPGKKZNVRWBHO-FRRDWIJNSA-N 0 0 322.409 2.669 10 30 DFEERN O=C(Nc1cccc2c1CCCC2)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330046005 336108927 /nfs/dbraw/zinc/10/89/27/336108927.db2.gz ILRITGSCGDNFDO-ZDUSSCGKSA-N 0 0 324.384 2.930 10 30 DFEERN O=C(NCC1(Cc2ccccc2)CCC1)C1(O)CCOCC1 ZINC000330080766 336111899 /nfs/dbraw/zinc/11/18/99/336111899.db2.gz JNNSIRQWSMXMAY-UHFFFAOYSA-N 0 0 303.402 2.897 10 30 DFEERN Cc1ccc(Cl)cc1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330118209 336114922 /nfs/dbraw/zinc/11/49/22/336114922.db2.gz YETUXZAPVVCCRG-CYBMUJFWSA-N 0 0 320.780 2.706 10 30 DFEERN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)N[C@@H]1CCCOC1 ZINC000330132387 336116345 /nfs/dbraw/zinc/11/63/45/336116345.db2.gz LLALNAJYLHXLNO-ZACQAIPSSA-N 0 0 318.417 2.807 10 30 DFEERN Cc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1=O ZINC000330165488 336119831 /nfs/dbraw/zinc/11/98/31/336119831.db2.gz XBEQROYIFGTEAA-OAHLLOKOSA-N 0 0 315.417 2.587 10 30 DFEERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C1 ZINC000330236660 336128125 /nfs/dbraw/zinc/12/81/25/336128125.db2.gz HITFBDAUGBADBF-VNQPRFMTSA-N 0 0 321.465 2.860 10 30 DFEERN Cc1ccc([C@H](NC(=O)N2CC(O)(C3CC3)C2)C2CC2)cc1 ZINC000330275553 336132356 /nfs/dbraw/zinc/13/23/56/336132356.db2.gz 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ZINC000090549498 185302413 /nfs/dbraw/zinc/30/24/13/185302413.db2.gz QIZDTTGPXAXGSQ-VXGBXAGGSA-N 0 0 307.147 2.734 10 30 DFEERN COC(=O)c1ccc(C#N)c(Cl)c1I ZINC000306610164 398508488 /nfs/dbraw/zinc/50/84/88/398508488.db2.gz ZZBCSYCVXLOJJS-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN COC(=O)c1c(Cl)ccc(C#N)c1I ZINC000307443487 398511696 /nfs/dbraw/zinc/51/16/96/398511696.db2.gz AWHWSQVMPWYJSI-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN N#C[C@@H]1CCCC[C@@H]1n1cc(I)cn1 ZINC000070677613 398595001 /nfs/dbraw/zinc/59/50/01/398595001.db2.gz JMTKTYJLVACXGM-WPRPVWTQSA-N 0 0 301.131 2.743 10 30 DFEERN C#CCOC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000003615501 181041261 /nfs/dbraw/zinc/04/12/61/181041261.db2.gz GLUQRKYHTNMGOQ-SNVBAGLBSA-N 0 0 300.141 2.968 10 30 DFEERN O=[N+]([O-])c1ccc(-c2nc(/C=N/N3CCSCC3)cs2)o1 ZINC000003624453 181042254 /nfs/dbraw/zinc/04/22/54/181042254.db2.gz FSJNNKWTFDJZAW-NTUHNPAUSA-N 0 0 324.387 2.694 10 30 DFEERN C/C(=N/OCC[NH+]1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000004117674 181075581 /nfs/dbraw/zinc/07/55/81/181075581.db2.gz CRHBKGBQUXESLW-OLCHLOJWSA-N 0 0 304.390 2.705 10 30 DFEERN N#CCCN(Cc1ccncc1)C(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004305667 181095226 /nfs/dbraw/zinc/09/52/26/181095226.db2.gz VXAOCJDHJHXWDW-OWCLPIDISA-N 0 0 312.442 2.636 10 30 DFEERN COCCOC(=NC(=O)c1ccco1)N[C@H](C)c1ccccc1 ZINC000004766170 181149508 /nfs/dbraw/zinc/14/95/08/181149508.db2.gz ULVRGKQBDZCLSY-CYBMUJFWSA-N 0 0 316.357 2.790 10 30 DFEERN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000114523266 398746282 /nfs/dbraw/zinc/74/62/82/398746282.db2.gz LPMRQYDPUQDFPS-AWEZNQCLSA-N 0 0 303.358 2.646 10 30 DFEERN N#Cc1cc2c(Br)n[nH]c2cc1Br ZINC000089197539 283115142 /nfs/dbraw/zinc/11/51/42/283115142.db2.gz DJVUVEJSWGAHGA-UHFFFAOYSA-N 0 0 300.941 2.960 10 30 DFEERN C[C@@H](C#N)CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000005141730 181208664 /nfs/dbraw/zinc/20/86/64/181208664.db2.gz QTQLGVMGVQNRMC-JTQLQIEISA-N 0 0 306.321 2.739 10 30 DFEERN C/C(CC(C)C)=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005446044 181244486 /nfs/dbraw/zinc/24/44/86/181244486.db2.gz GJYFQHYDGYURPQ-SDNWHVSQSA-N 0 0 313.379 2.604 10 30 DFEERN CCOC(=O)C(N=Nc1cccc2ccccc21)C(=O)OCC ZINC000005795772 181285354 /nfs/dbraw/zinc/28/53/54/181285354.db2.gz BGLPLLVZWIRHOZ-UHFFFAOYSA-N 0 0 314.341 2.734 10 30 DFEERN COc1ccccc1C(=O)NC(=S)Nc1ccc(C#N)cc1 ZINC000006298282 181327288 /nfs/dbraw/zinc/32/72/88/181327288.db2.gz YSIZGISXOJDQMC-UHFFFAOYSA-N 0 0 311.366 2.694 10 30 DFEERN CC(=O)C1=CN(C)C=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1 ZINC000006761304 181384292 /nfs/dbraw/zinc/38/42/92/181384292.db2.gz BMVMZGNTQFJVHK-UHFFFAOYSA-N 0 0 300.314 2.570 10 30 DFEERN O=C1c2ccc(O)cc2O/C1=C/c1ccc(-n2ccnc2)nc1 ZINC000606443961 399071678 /nfs/dbraw/zinc/07/16/78/399071678.db2.gz PPEFDWYNUMYEHX-VIZOYTHASA-N 0 0 305.293 2.589 10 30 DFEERN COc1ccc(CN2CNC3=C(C2)C(=O)CC(C)(C)C3)cc1 ZINC000019328560 182116163 /nfs/dbraw/zinc/11/61/63/182116163.db2.gz HXZONQGCNCUBAF-UHFFFAOYSA-N 0 0 300.402 2.701 10 30 DFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(Br)cc1F ZINC000020359359 182211116 /nfs/dbraw/zinc/21/11/16/182211116.db2.gz KVTZWOBLWRMPCI-MRVPVSSYSA-N 0 0 301.159 2.691 10 30 DFEERN N#Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N)c1 ZINC000020558486 182231740 /nfs/dbraw/zinc/23/17/40/182231740.db2.gz ZEFSVPGWWHVRGC-UHFFFAOYSA-N 0 0 301.733 2.811 10 30 DFEERN C=CCn1c(SCC(=O)OCCC)nnc1C(F)(F)F ZINC000020840030 182248542 /nfs/dbraw/zinc/24/85/42/182248542.db2.gz BWGQARAKVZBEHD-UHFFFAOYSA-N 0 0 309.313 2.528 10 30 DFEERN CC1(C)OC(=O)C(Cc2ccc(C#Cc3ccccc3)o2)C(=O)O1 ZINC000022016964 182304328 /nfs/dbraw/zinc/30/43/28/182304328.db2.gz YBRJLZFEPZNDCU-UHFFFAOYSA-N 0 0 324.332 2.674 10 30 DFEERN Cc1c(Br)c(C(=O)Nc2ccc(C#N)cc2)nn1C ZINC000028304208 182519765 /nfs/dbraw/zinc/51/97/65/182519765.db2.gz JALZURCTXGCHLJ-UHFFFAOYSA-N 0 0 319.162 2.615 10 30 DFEERN C#CCn1c(CCNC(=O)c2ccccc2C)nc2ccccc21 ZINC000040199435 183045558 /nfs/dbraw/zinc/04/55/58/183045558.db2.gz ATAMWMLEPIYYPX-UHFFFAOYSA-N 0 0 317.392 2.950 10 30 DFEERN C#CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 ZINC000040199283 183045603 /nfs/dbraw/zinc/04/56/03/183045603.db2.gz LDZPJANPVKHKRC-UHFFFAOYSA-N 0 0 303.365 2.642 10 30 DFEERN C#CCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040276542 183050494 /nfs/dbraw/zinc/05/04/94/183050494.db2.gz XMRBJBFKZCMASV-UHFFFAOYSA-N 0 0 303.365 2.908 10 30 DFEERN C#CCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 ZINC000040275877 183050537 /nfs/dbraw/zinc/05/05/37/183050537.db2.gz ABXFQBGGBHJUNM-UHFFFAOYSA-N 0 0 303.365 2.908 10 30 DFEERN C=CCOc1ccc([C@H]2NC(=O)CN2c2ccccc2)cc1OC ZINC000044979370 183472837 /nfs/dbraw/zinc/47/28/37/183472837.db2.gz OTJURQWSQWLWPK-IBGZPJMESA-N 0 0 324.380 2.895 10 30 DFEERN CC[C@@H](C/C(N)=N/O)NC(=O)c1c(Cl)cccc1Cl ZINC000054163167 183927352 /nfs/dbraw/zinc/92/73/52/183927352.db2.gz KZVRDQMLFOEKSL-ZETCQYMHSA-N 0 0 304.177 2.638 10 30 DFEERN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C#N)cc1 ZINC000028466603 256531242 /nfs/dbraw/zinc/53/12/42/256531242.db2.gz GBYPWMILDYAUIT-QGZVFWFLSA-N 0 0 322.364 2.699 10 30 DFEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000256427194 257104525 /nfs/dbraw/zinc/10/45/25/257104525.db2.gz GFUSEGGPVQNTTK-YIILVGGQSA-N 0 0 312.409 2.672 10 30 DFEERN COc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000100334797 286268998 /nfs/dbraw/zinc/26/89/98/286268998.db2.gz ZLGWEWVVSRSMLZ-BOPFTXTBSA-N 0 0 319.382 2.820 10 30 DFEERN C[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O ZINC000000005333 425529634 /nfs/dbraw/zinc/52/96/34/425529634.db2.gz OLZHFFKRBCZHHT-SNVBAGLBSA-N 0 0 304.277 2.721 10 30 DFEERN CCN1SC(=O)/C(=C\N(C(C)=O)c2ccccc2)C1=S ZINC000001427380 425582034 /nfs/dbraw/zinc/58/20/34/425582034.db2.gz QGSLOHFYJJMZBO-XFXZXTDPSA-N 0 0 306.412 2.761 10 30 DFEERN CCOC(=O)C1=C(SC)NC(=O)[C@@](C)(C#N)C12CCCCC2 ZINC000004278833 425618915 /nfs/dbraw/zinc/61/89/15/425618915.db2.gz WSWGNKGCEJATMT-OAHLLOKOSA-N 0 0 322.430 2.734 10 30 DFEERN Cc1ccc(C2=[N+]([O-])[C@@]3(CCCCC/C3=N\O)N(O)C2(C)C)o1 ZINC000149584454 426259339 /nfs/dbraw/zinc/25/93/39/426259339.db2.gz MKCCRUDGUMQZFI-YKBBIGDRSA-O 0 0 322.385 2.753 10 30 DFEERN C=CCSc1nnc(NN=Cc2cccc(CC=C)c2O)[nH]1 ZINC000254380337 427218958 /nfs/dbraw/zinc/21/89/58/427218958.db2.gz AASFHCAAGQWKQJ-UHFFFAOYSA-N 0 0 315.402 2.963 10 30 DFEERN COc1ccc(O)c(C=N/N=C/c2cc(OC)ccc2O)c1 ZINC000252581840 427189194 /nfs/dbraw/zinc/18/91/94/427189194.db2.gz OCTHCUGGNRXFMQ-PKSQHMBRSA-N 0 0 300.314 2.568 10 30 DFEERN C=C1C[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C1 ZINC000026503837 275421125 /nfs/dbraw/zinc/42/11/25/275421125.db2.gz XEWMVDIWGBDNPG-TXEJJXNPSA-N 0 0 306.159 2.905 10 30 DFEERN N#Cc1cc(OC(F)F)cc(F)c1I ZINC000575660375 430088487 /nfs/dbraw/zinc/08/84/87/430088487.db2.gz YGMFKBWCLSUKCL-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1c(Br)ccc(Br)c1[N+](=O)[O-] ZINC000575694361 430093277 /nfs/dbraw/zinc/09/32/77/430093277.db2.gz JJYPCPJSHWBCNX-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN N#CCc1ccc(OC(F)F)c(N)c1I ZINC000575716828 430096727 /nfs/dbraw/zinc/09/67/27/430096727.db2.gz KBQAROZGPYPGHQ-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1c(Br)cc(C#N)cc1C(F)F ZINC000575341630 430078213 /nfs/dbraw/zinc/07/82/13/430078213.db2.gz VPARANXYIBCIIL-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1cc(C(F)F)c(Br)cc1C#N ZINC000575341605 430078825 /nfs/dbraw/zinc/07/88/25/430078825.db2.gz INTITADXJUIRRJ-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN CCOC(=O)Cc1cc(O)cc(C#N)c1SC(F)(F)F ZINC000575392006 430081241 /nfs/dbraw/zinc/08/12/41/430081241.db2.gz KSFDTHMKPBLRDE-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN CCOC(=O)Cc1c(C#N)cc(O)cc1SC(F)(F)F ZINC000575392028 430081423 /nfs/dbraw/zinc/08/14/23/430081423.db2.gz LUPPVQDLFFOMJH-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)c1c(C#N)ccc(OC(F)F)c1OC(F)(F)F ZINC000575387841 430081999 /nfs/dbraw/zinc/08/19/99/430081999.db2.gz LWSGZDWJNNBSGL-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1C(F)(F)F ZINC000575395587 430082326 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ZINC000575395584 430083340 /nfs/dbraw/zinc/08/33/40/430083340.db2.gz IMVRYJFZBSTNAQ-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1ccc(C#N)c(OC)c1OC(F)(F)F ZINC000575395152 430083376 /nfs/dbraw/zinc/08/33/76/430083376.db2.gz YLILXJAMUKRXHY-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOc1cc(C#N)c(I)c(CC#N)c1 ZINC000575643943 430087046 /nfs/dbraw/zinc/08/70/46/430087046.db2.gz FJSPBXIRVNDAMO-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN CCOc1cc(C#N)c(CC#N)cc1I ZINC000575643815 430087378 /nfs/dbraw/zinc/08/73/78/430087378.db2.gz CJRQYYRFDIUDJJ-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN COc1ccc2c(cc(I)n2CC#N)c1 ZINC000039175764 277998461 /nfs/dbraw/zinc/99/84/61/277998461.db2.gz OAMHMJHEFHGVDO-UHFFFAOYSA-N 0 0 312.110 2.778 10 30 DFEERN CC(C)(C)OC(=O)N1CCN(C[C@H]2CO2)[C@@H](c2ccccc2)C1 ZINC000022113747 278399437 /nfs/dbraw/zinc/39/94/37/278399437.db2.gz GYDXITAYUYSBAY-JKSUJKDBSA-N 0 0 318.417 2.679 10 30 DFEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000228946034 301489232 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181874985 /nfs/dbraw/zinc/87/49/85/181874985.db2.gz ZGSFPEWTKYAMHW-OISREAPXSA-N 0 0 303.431 2.682 10 30 DFEERN N#Cc1cc(OCc2ccccc2)ccc1CC(=O)N1CCC1 ZINC000205627825 399201137 /nfs/dbraw/zinc/20/11/37/399201137.db2.gz ZXXIVAZGOSFWCT-UHFFFAOYSA-N 0 0 306.365 2.912 10 30 DFEERN COc1ccc(C(=O)N(CCC#N)C2CC2)cc1Br ZINC000038099989 182989803 /nfs/dbraw/zinc/98/98/03/182989803.db2.gz JZMFOFAXKVVWHG-UHFFFAOYSA-N 0 0 323.190 2.976 10 30 DFEERN COc1cccc2c(O)c(C(=O)Nc3ccc(C#N)cc3)cnc12 ZINC000039962877 183024809 /nfs/dbraw/zinc/02/48/09/183024809.db2.gz HDUKJYGERAOSQU-UHFFFAOYSA-N 0 0 319.320 2.661 10 30 DFEERN C=CCn1c(CCNC(=O)c2ccncc2)nc2ccccc21 ZINC000040184093 183044945 /nfs/dbraw/zinc/04/49/45/183044945.db2.gz GFAIXKZWIILBAW-UHFFFAOYSA-N 0 0 306.369 2.590 10 30 DFEERN C[C@H](C#N)CN(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000042461100 183272697 /nfs/dbraw/zinc/27/26/97/183272697.db2.gz ZMRGFRALHBWMDF-SECBINFHSA-N 0 0 312.167 2.949 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ncccc2C#N)C1 ZINC000043220268 183345292 /nfs/dbraw/zinc/34/52/92/183345292.db2.gz JEMXUUPRERKKJV-ZDUSSCGKSA-N 0 0 303.362 2.732 10 30 DFEERN CCCCS(=O)(=O)Nc1ccc(C#N)c(Br)c1 ZINC000285221044 218338827 /nfs/dbraw/zinc/33/88/27/218338827.db2.gz XYNKIQSWGRDYDE-UHFFFAOYSA-N 0 0 317.208 2.863 10 30 DFEERN CC[C@@H](C/C(N)=N/O)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000054163155 183927343 /nfs/dbraw/zinc/92/73/43/183927343.db2.gz BSMMIBPNZQGCFB-JTQLQIEISA-N 0 0 304.177 2.638 10 30 DFEERN C[C@H](CC#N)N(C)CC(=O)Nc1cccc(Br)c1 ZINC000063095650 184270679 /nfs/dbraw/zinc/27/06/79/184270679.db2.gz OGEYHLGVVMDJBJ-SNVBAGLBSA-N 0 0 310.195 2.622 10 30 DFEERN CS(=O)(=O)N1C[C@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616672622 399496986 /nfs/dbraw/zinc/49/69/86/399496986.db2.gz HNLSTNUYWATNFX-MRXNPFEDSA-N 0 0 312.394 2.664 10 30 DFEERN CS(=O)(=O)N1C[C@@H](c2ccc(C#N)cc2)Cc2ccccc21 ZINC000616691143 399499371 /nfs/dbraw/zinc/49/93/71/399499371.db2.gz UYRVBDDMBOBYCX-INIZCTEOSA-N 0 0 312.394 2.664 10 30 DFEERN O=C[C@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] 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302.399 2.721 10 30 DFEERN CCCCCCCCCCCC(=O)N[C@@H](O)C(=O)OCC ZINC000224189994 426591807 /nfs/dbraw/zinc/59/18/07/426591807.db2.gz ZACYCVFTWSCVCO-HNNXBMFYSA-N 0 0 301.427 2.905 10 30 DFEERN CCCOc1ccccc1C=NNS(=O)(=O)c1ccccc1 ZINC000254497387 427222163 /nfs/dbraw/zinc/22/21/63/427222163.db2.gz GZVDRZCANWLNOA-UHFFFAOYSA-N 0 0 318.398 2.788 10 30 DFEERN CC12CN3CN(C1)CC(C)(C3)C2=N/N=C/c1ccc(Cl)cc1 ZINC000026896244 275902002 /nfs/dbraw/zinc/90/20/02/275902002.db2.gz UPKANANUXLRNCI-SGBSNPDMSA-N 0 0 316.836 2.730 10 30 DFEERN COC(=O)Cc1c(Br)cc(C(F)F)cc1C#N ZINC000575341609 430078718 /nfs/dbraw/zinc/07/87/18/430078718.db2.gz KTFRZFBPSBFCPG-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1ccc(Br)c(C#N)c1C(F)F ZINC000575382739 430080064 /nfs/dbraw/zinc/08/00/64/430080064.db2.gz HKJHTAWJKSCFEV-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(Br)c1C(F)F ZINC000575382773 430080247 /nfs/dbraw/zinc/08/02/47/430080247.db2.gz VVVRRIHRULWYOW-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)c1c(C#N)cc(OC(F)F)cc1OC(F)(F)F ZINC000575387203 430080943 /nfs/dbraw/zinc/08/09/43/430080943.db2.gz BTGSSWVOUWZFHG-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1c(C#N)c(C=O)ccc1SC(F)(F)F ZINC000575391502 430081071 /nfs/dbraw/zinc/08/10/71/430081071.db2.gz OHYIQUASRRBVMN-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)Cc1cc(C(F)(F)F)c(OC(F)F)cc1C#N ZINC000575386873 430081812 /nfs/dbraw/zinc/08/18/12/430081812.db2.gz MHEAFBKAPFFGCP-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)Cc1c(OC(F)F)ccc(C#N)c1C(F)(F)F ZINC000575387122 430082049 /nfs/dbraw/zinc/08/20/49/430082049.db2.gz WHAQSQUUKGXHMJ-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575393497 430082262 /nfs/dbraw/zinc/08/22/62/430082262.db2.gz CUUBUIQORMAVND-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575394951 430083098 /nfs/dbraw/zinc/08/30/98/430083098.db2.gz YQKYHINPQZLNFG-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1cc(OC)c(C#N)c(SC(F)(F)F)c1 ZINC000575394632 430083112 /nfs/dbraw/zinc/08/31/12/430083112.db2.gz PJIRBYBTYNWFBJ-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)Cc1c(C#N)ccc(OC)c1OC(F)(F)F ZINC000575394417 430083441 /nfs/dbraw/zinc/08/34/41/430083441.db2.gz KGDLJSFKENQCTB-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575395950 430083851 /nfs/dbraw/zinc/08/38/51/430083851.db2.gz XRDMPFURCHSRRV-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN Cc1nc2c(nccc2C(=O)N[C@@H]2CCC[C@H]2OC(F)F)[nH]1 ZINC000328645067 334745429 /nfs/dbraw/zinc/74/54/29/334745429.db2.gz GGFWQQJXFLKLJC-NXEZZACHSA-N 0 0 310.304 2.731 10 30 DFEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)N1CCCCC1=O ZINC000328748529 334751418 /nfs/dbraw/zinc/75/14/18/334751418.db2.gz PRKVNNHMDQSTFD-VBQJREDUSA-N 0 0 310.438 2.795 10 30 DFEERN C[C@H](NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1ccncc1F ZINC000328757544 334752181 /nfs/dbraw/zinc/75/21/81/334752181.db2.gz 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399110424 /nfs/dbraw/zinc/11/04/24/399110424.db2.gz LMSWGAWBWSOINF-ZDUSSCGKSA-N 0 0 305.440 2.650 10 30 DFEERN CCCCCCCCOC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000059568490 399110800 /nfs/dbraw/zinc/11/08/00/399110800.db2.gz GJDHJVIQVWXMQV-CYBMUJFWSA-N 0 0 305.440 2.508 10 30 DFEERN CC(C)(C)OC(=O)N1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000095083500 193418871 /nfs/dbraw/zinc/41/88/71/193418871.db2.gz FSIQADCSKFGOJA-UHFFFAOYSA-N 0 0 302.378 2.765 10 30 DFEERN O=C(c1cc(F)ccc1Br)N1CCC(=NO)CC1 ZINC000019431699 182123135 /nfs/dbraw/zinc/12/31/35/182123135.db2.gz YTWIHWSRMDSRPD-UHFFFAOYSA-N 0 0 315.142 2.654 10 30 DFEERN N/C(=N\O)c1cccnc1Oc1ccc(Br)cc1 ZINC000019483394 182125038 /nfs/dbraw/zinc/12/50/38/182125038.db2.gz RAWRJUGGFMOKDW-UHFFFAOYSA-N 0 0 308.135 2.731 10 30 DFEERN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](C=O)C2)cc1 ZINC000019678872 182136178 /nfs/dbraw/zinc/13/61/78/182136178.db2.gz MLORWJMLANGIBF-CYBMUJFWSA-N 0 0 309.431 2.584 10 30 DFEERN Cc1ccc(F)c(NS(=O)(=O)Cc2ccccc2C#N)c1 ZINC000020360625 182211163 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/nfs/dbraw/zinc/98/36/01/182983601.db2.gz JPDCHYLLQJFOTP-UHFFFAOYSA-N 0 0 306.163 2.986 10 30 DFEERN C=C(C)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21 ZINC000040181240 183044660 /nfs/dbraw/zinc/04/46/60/183044660.db2.gz PRUAWFUQIRAXKN-UHFFFAOYSA-N 0 0 320.396 2.980 10 30 DFEERN C=C(C)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184583 183044705 /nfs/dbraw/zinc/04/47/05/183044705.db2.gz IDXKDXVTPYXMGX-UHFFFAOYSA-N 0 0 320.396 2.980 10 30 DFEERN C=CCn1c(CCCCCNC(=O)COC)nc2ccccc21 ZINC000040211394 183045663 /nfs/dbraw/zinc/04/56/63/183045663.db2.gz QEUCHMGPIMFDGM-UHFFFAOYSA-N 0 0 315.417 2.698 10 30 DFEERN CCN(C[C@@H](C)C#N)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042449199 183271764 /nfs/dbraw/zinc/27/17/64/183271764.db2.gz CBWRUJCQOCXRHM-QMMMGPOBSA-N 0 0 313.155 2.738 10 30 DFEERN N#CCCN(CC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000042549168 183282841 /nfs/dbraw/zinc/28/28/41/183282841.db2.gz YESXFXYRZBPWNV-UHFFFAOYSA-N 0 0 322.206 2.766 10 30 DFEERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H](O)C[C@H]2O ZINC000256440893 257104635 /nfs/dbraw/zinc/10/46/35/257104635.db2.gz KYGUQDTWUBBBSD-KRIFKMFISA-N 0 0 304.430 2.850 10 30 DFEERN N#Cc1csc(NC(=S)NCCc2c(F)cccc2F)n1 ZINC000013744915 425761031 /nfs/dbraw/zinc/76/10/31/425761031.db2.gz GDGAUOBZPMXAIE-UHFFFAOYSA-N 0 0 324.381 2.822 10 30 DFEERN N#Cc1ccccc1N1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333529086 268277125 /nfs/dbraw/zinc/27/71/25/268277125.db2.gz LXNLHHWMYBELPL-UHFFFAOYSA-N 0 0 319.412 2.554 10 30 DFEERN N#CCCN(Cc1ccncc1)C(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000104308152 425963578 /nfs/dbraw/zinc/96/35/78/425963578.db2.gz VXAOCJDHJHXWDW-XHSDSOJGSA-N 0 0 312.442 2.636 10 30 DFEERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncccc1C#N ZINC000095075289 426363285 /nfs/dbraw/zinc/36/32/85/426363285.db2.gz KFYLGGBISPUEQS-CQSZACIVSA-N 0 0 316.405 2.789 10 30 DFEERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ncccc1C#N ZINC000095075290 426363616 /nfs/dbraw/zinc/36/36/16/426363616.db2.gz KFYLGGBISPUEQS-AWEZNQCLSA-N 0 0 316.405 2.789 10 30 DFEERN CCOC(=O)COc1cc2c(Cl)c(C#N)cnc2cc1OC ZINC000095938017 426375349 /nfs/dbraw/zinc/37/53/49/426375349.db2.gz HIJSNBKEGVGLJH-UHFFFAOYSA-N 0 0 320.732 2.710 10 30 DFEERN O=S(=O)(NN=Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000254405549 427219725 /nfs/dbraw/zinc/21/97/25/427219725.db2.gz WULWIGGQKIMOCQ-UHFFFAOYSA-N 0 0 312.753 2.792 10 30 DFEERN Nc1nnnn1N=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000254697912 427223221 /nfs/dbraw/zinc/22/32/21/427223221.db2.gz BXOHIGHLBBYWFQ-UHFFFAOYSA-N 0 0 323.143 2.704 10 30 DFEERN CCOc1ccc(S(=O)(=O)NN=Cc2ccccc2F)cc1 ZINC000254903308 427224365 /nfs/dbraw/zinc/22/43/65/427224365.db2.gz UGQJKXWYFGHZPH-UHFFFAOYSA-N 0 0 322.361 2.537 10 30 DFEERN CCCNC(=O)c1c(N=Cc2ccc(OCC)cc2)cnn1C ZINC000254899588 427224709 /nfs/dbraw/zinc/22/47/09/427224709.db2.gz ZEBJXPRTAYVFAT-UHFFFAOYSA-N 0 0 314.389 2.709 10 30 DFEERN CCOc1cc(CC#N)c(OC)cc1I ZINC000575697910 430094516 /nfs/dbraw/zinc/09/45/16/430094516.db2.gz RUFSZAZTYCAQNU-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN CCOc1cc(OC)cc(I)c1CC#N ZINC000575697961 430094772 /nfs/dbraw/zinc/09/47/72/430094772.db2.gz UUJAODFHDYLQKY-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN NS(=O)(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1F ZINC000575381425 430080302 /nfs/dbraw/zinc/08/03/02/430080302.db2.gz SVGOFGBAVWGRRH-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN COC(=O)Cc1c(C#N)c(OC(F)F)ccc1C(F)(F)F ZINC000575387110 430081341 /nfs/dbraw/zinc/08/13/41/430081341.db2.gz VRZRADNLAAMLQD-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)Cc1cc(C=O)cc(SC(F)(F)F)c1C#N ZINC000575391855 430081679 /nfs/dbraw/zinc/08/16/79/430081679.db2.gz XLTUSLQHJHFYLA-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C=O)c1C#N ZINC000575391074 430081870 /nfs/dbraw/zinc/08/18/70/430081870.db2.gz IMIHSLBYZAEJPT-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)Cc1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575386774 430081989 /nfs/dbraw/zinc/08/19/89/430081989.db2.gz GHTMNIGATARBPD-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575395497 430082451 /nfs/dbraw/zinc/08/24/51/430082451.db2.gz GJDBPJHTLKKTRQ-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)c1c(C#N)cc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575394975 430082559 /nfs/dbraw/zinc/08/25/59/430082559.db2.gz ZSCATKLDDXXBLQ-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575393796 430082594 /nfs/dbraw/zinc/08/25/94/430082594.db2.gz KAVNUKPWHBKPIL-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN C=CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545732 277870992 /nfs/dbraw/zinc/87/09/92/277870992.db2.gz INGPAEPDXQCNPO-IAGOWNOFSA-N 0 0 312.413 2.679 10 30 DFEERN C[C@@H](C#N)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000109445218 333013886 /nfs/dbraw/zinc/01/38/86/333013886.db2.gz KOJIXDRCWYCEQX-JTQLQIEISA-N 0 0 312.200 2.663 10 30 DFEERN C[C@H](CC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCCCC1=O ZINC000328689755 334749101 /nfs/dbraw/zinc/74/91/01/334749101.db2.gz IFFFSMBPDXAVDL-DLTLXFJOSA-N 0 0 322.449 2.938 10 30 DFEERN CC(C)c1nnc(CNC(=O)C[C@@H]2CCCCNC2=O)n1C ZINC000328773171 334753392 /nfs/dbraw/zinc/75/33/92/334753392.db2.gz BJZGUYIYPIDHKP-NSHDSACASA-N 0 0 307.398 2.542 10 30 DFEERN O=C(Nc1cnn(C(F)F)c1)c1coc(C2CCOCC2)n1 ZINC000328727435 334753777 /nfs/dbraw/zinc/75/37/77/334753777.db2.gz DGRKQQIBSMPTRV-UHFFFAOYSA-N 0 0 312.276 2.797 10 30 DFEERN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)N1CCOCC1 ZINC000328863439 334761441 /nfs/dbraw/zinc/76/14/41/334761441.db2.gz MHZAEOUWMDMJBB-NWDGAFQWSA-N 0 0 317.389 2.569 10 30 DFEERN C[C@@H]1CCc2nc(NC(=O)N3CCCO[C@@H](C)C3)sc2C1 ZINC000328895352 334764217 /nfs/dbraw/zinc/76/42/17/334764217.db2.gz WEKBOSWNBZNSKC-MNOVXSKESA-N 0 0 309.435 2.924 10 30 DFEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H](C)O1 ZINC000329155007 335946354 /nfs/dbraw/zinc/94/63/54/335946354.db2.gz CETBTAKDDMMTSW-HKUMRIAESA-N 0 0 311.426 2.543 10 30 DFEERN O=C(Nc1ccc2cc[nH]c2c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329257789 335956524 /nfs/dbraw/zinc/95/65/24/335956524.db2.gz YDYPPKQHXQAPCR-HZPDHXFCSA-N 0 0 315.373 2.593 10 30 DFEERN Cn1cc(CNC(=O)N2Cc3ccccc3C3(CCC3)C2)cn1 ZINC000329259501 335956676 /nfs/dbraw/zinc/95/66/76/335956676.db2.gz FKZHYPKUZKCOFM-UHFFFAOYSA-N 0 0 310.401 2.772 10 30 DFEERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1scnc1C1CC1 ZINC000329418889 335974030 /nfs/dbraw/zinc/97/40/30/335974030.db2.gz DTFSCBKTNGSGML-SECBINFHSA-N 0 0 305.407 2.993 10 30 DFEERN Cc1cc(C)c(CNC(=O)c2ncoc2[C@H]2CCCO2)c(=O)[nH]1 ZINC000329482386 335982554 /nfs/dbraw/zinc/98/25/54/335982554.db2.gz WDZUZJJMQIYIAD-GFCCVEGCSA-N 0 0 317.345 2.748 10 30 DFEERN CC(=O)NC[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC000329669715 336034584 /nfs/dbraw/zinc/03/45/84/336034584.db2.gz MLSRFRDYNUJDTL-LLVKDONJSA-N 0 0 318.402 2.577 10 30 DFEERN C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000329680312 336043378 /nfs/dbraw/zinc/04/33/78/336043378.db2.gz XVCJGZAPXXQWRL-UGSOOPFHSA-N 0 0 316.401 2.681 10 30 DFEERN C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000329680311 336043433 /nfs/dbraw/zinc/04/34/33/336043433.db2.gz XVCJGZAPXXQWRL-SCLBCKFNSA-N 0 0 316.401 2.681 10 30 DFEERN CO[C@](C)(C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1CC1 ZINC000329733155 336075109 /nfs/dbraw/zinc/07/51/09/336075109.db2.gz JJLFLZKSVZDOGL-IFIJOSMWSA-N 0 0 308.422 2.549 10 30 DFEERN COc1c(CNC(=O)Nc2scnc2C2CC2)c(C)nn1C ZINC000329735191 336075217 /nfs/dbraw/zinc/07/52/17/336075217.db2.gz KUGGLWRZVGBEGI-UHFFFAOYSA-N 0 0 321.406 2.597 10 30 DFEERN CO[C@@](C)(C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1CC1 ZINC000329733154 336075220 /nfs/dbraw/zinc/07/52/20/336075220.db2.gz JJLFLZKSVZDOGL-HACGYAERSA-N 0 0 308.422 2.549 10 30 DFEERN O=C(C[C@H]1CCCCC(=O)N1)NC1(CO)Cc2ccccc2C1 ZINC000329821622 336086375 /nfs/dbraw/zinc/08/63/75/336086375.db2.gz GUNFCVNKFBKJGH-OAHLLOKOSA-N 0 0 316.401 2.762 10 30 DFEERN COc1ccc2c(c1NC(=O)[C@@H]1OC[C@H]3COCC[C@@H]31)CCC2 ZINC000329823473 336086446 /nfs/dbraw/zinc/08/64/46/336086446.db2.gz QIQLUMGHNXENNU-HACGYAERSA-N 0 0 317.385 2.823 10 30 DFEERN C[C@H]1CCc2nc(NC(=O)N3CCO[C@@H](C4CC4)C3)sc2C1 ZINC000330123198 336115739 /nfs/dbraw/zinc/11/57/39/336115739.db2.gz HNLJDVKKIWJDCL-GXFFZTMASA-N 0 0 321.446 2.924 10 30 DFEERN O=C(NCc1ccc(-n2cncn2)cc1)N1CC2(C1)CCCC2 ZINC000330227725 336126959 /nfs/dbraw/zinc/12/69/59/336126959.db2.gz CEJFDDAYFHKRQT-UHFFFAOYSA-N 0 0 311.389 2.557 10 30 DFEERN C[C@H](C(=O)Nc1ccc(F)cc1NC1CC1)N1CCOCC1 ZINC000330240153 336128598 /nfs/dbraw/zinc/12/85/98/336128598.db2.gz VVIBSUYOBKYJIF-LLVKDONJSA-N 0 0 307.369 2.709 10 30 DFEERN N#CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584631846 337377026 /nfs/dbraw/zinc/37/70/26/337377026.db2.gz DBRCQIRFWPCMJY-UHFFFAOYSA-N 0 0 301.733 2.751 10 30 DFEERN N#C[C@@]1(C2CC2)CCN(c2ccnc(Br)c2)C1=O ZINC000584633761 337377641 /nfs/dbraw/zinc/37/76/41/337377641.db2.gz LVWODLKQFMRSBI-CYBMUJFWSA-N 0 0 306.163 2.501 10 30 DFEERN COC(=O)c1ccoc1CO/N=C/c1cccc([N+](=O)[O-])c1 ZINC000032899372 522303088 /nfs/dbraw/zinc/30/30/88/522303088.db2.gz DLCYJMCMJQEGPD-OVCLIPMQSA-N 0 0 304.258 2.525 10 30 DFEERN COc1ccc(/C=C/C(=O)c2ccn(C)n2)cc1Cn1cccn1 ZINC000008512218 523401746 /nfs/dbraw/zinc/40/17/46/523401746.db2.gz DGJKOBBBZDHSDW-GQCTYLIASA-N 0 0 322.368 2.570 10 30 DFEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@]1(O)CCC2=O ZINC000004706031 560199704 /nfs/dbraw/zinc/19/97/04/560199704.db2.gz JPSFSZXAYMJGAK-BSWVEEBUSA-N 0 0 300.398 2.978 10 30 in-vitro DFEERN CC1(C)C(c2ccccc2)=[N+]([O-])[C@]2(CCCCCC2=O)N1O ZINC000225401082 398348242 /nfs/dbraw/zinc/34/82/42/398348242.db2.gz JSRUKADEMCZMKU-QGZVFWFLSA-N 0 0 303.382 2.590 10 30 DFEERN NS(=O)(=O)c1c(C(F)(F)F)cc(F)cc1C(F)(F)F ZINC000514280396 398356913 /nfs/dbraw/zinc/35/69/13/398356913.db2.gz SROWUWZHHSEKSE-UHFFFAOYSA-N 0 0 311.178 2.511 10 30 DFEERN COc1ccc(C(=O)N=C(NCC2CC2)OCC(C)C)cc1 ZINC000004605740 398349324 /nfs/dbraw/zinc/34/93/24/398349324.db2.gz LJGZPBIMDNZEDA-UHFFFAOYSA-N 0 0 304.390 2.864 10 30 DFEERN COC(=O)c1c(I)ccc(C#N)c1Cl ZINC000306609568 398508694 /nfs/dbraw/zinc/50/86/94/398508694.db2.gz YSJIFXYOFOYIOX-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN COC(=O)c1cc(Cl)cc(I)c1C#N ZINC000307183361 398510813 /nfs/dbraw/zinc/51/08/13/398510813.db2.gz XPIPNOJWHINDKL-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2F)cc1 ZINC000003526796 181030156 /nfs/dbraw/zinc/03/01/56/181030156.db2.gz UGQJKXWYFGHZPH-GZTJUZNOSA-N 0 0 322.361 2.537 10 30 DFEERN Cc1ccc(-c2ccccc2S(=O)(=O)/N=C/N(C)C)cc1 ZINC000113941382 398742716 /nfs/dbraw/zinc/74/27/16/398742716.db2.gz AQYWDNDUTAAREB-SFQUDFHCSA-N 0 0 302.399 2.941 10 30 DFEERN Cc1ccc(S(=O)(=O)OCC[C@](C)(O)c2ccccc2)cc1 ZINC000114914028 398748828 /nfs/dbraw/zinc/74/88/28/398748828.db2.gz MVIVGEHKALBPLQ-KRWDZBQOSA-N 0 0 320.410 2.998 10 30 DFEERN N#Cc1ccccc1Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000005607215 181263242 /nfs/dbraw/zinc/26/32/42/181263242.db2.gz GVRVKYLCFMQVBJ-UHFFFAOYSA-N 0 0 322.393 2.652 10 30 DFEERN N#CCCN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005682704 181272367 /nfs/dbraw/zinc/27/23/67/181272367.db2.gz JHUXHIWVHMHUMY-UHFFFAOYSA-N 0 0 314.410 2.834 10 30 DFEERN N#Cc1cnc(-c2cccc(I)c2)nc1 ZINC000095803079 283228705 /nfs/dbraw/zinc/22/87/05/283228705.db2.gz RTTWDZSFCUNYTF-UHFFFAOYSA-N 0 0 307.094 2.620 10 30 DFEERN N#Cc1cnc(-c2ccc(I)cc2)nc1 ZINC000095803093 283228849 /nfs/dbraw/zinc/22/88/49/283228849.db2.gz ZNWGOHPJCGCAHN-UHFFFAOYSA-N 0 0 307.094 2.620 10 30 DFEERN C=C=CC(=O)c1ncc(Br)cc1Br ZINC000133078835 398859779 /nfs/dbraw/zinc/85/97/79/398859779.db2.gz OZLAVWRAVIROHZ-UHFFFAOYSA-N 0 0 302.953 2.813 10 30 DFEERN CN(C[C@@H](CC=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000140899027 398892663 /nfs/dbraw/zinc/89/26/63/398892663.db2.gz ALLPEJFTAFEHED-MRXNPFEDSA-N 0 0 317.410 2.680 10 30 DFEERN c1ccc(OC[C@@H]2CO2)c(Cc2ccc(OC[C@H]3CO3)cc2)c1 ZINC000006095358 181312670 /nfs/dbraw/zinc/31/26/70/181312670.db2.gz KWBKELCPJJUMNV-ROUUACIJSA-N 0 0 312.365 2.833 10 30 DFEERN CC(=O)C(=NNc1ccccc1)NNc1cccc([N+](=O)[O-])c1 ZINC000006820511 181395128 /nfs/dbraw/zinc/39/51/28/181395128.db2.gz GZLYBNBDXRIQTE-UHFFFAOYSA-N 0 0 313.317 2.526 10 30 DFEERN N#C[C@H](C(=O)[O-])C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000091361787 193045663 /nfs/dbraw/zinc/04/56/63/193045663.db2.gz YMOXIRBSVBYMRD-KRWDZBQOSA-N 0 0 306.365 2.932 10 30 DFEERN CC(C)(C)c1ccc(/C=C2\S/C(=N/CCO)NC2=O)cc1 ZINC000618254450 399054311 /nfs/dbraw/zinc/05/43/11/399054311.db2.gz ADTRURSJLVWAMT-RAXLEYEMSA-N 0 0 304.415 2.536 10 30 DFEERN CCCCCCCCCOC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000059568738 399111013 /nfs/dbraw/zinc/11/10/13/399111013.db2.gz UYGISWTTXWYBIL-CYBMUJFWSA-N 0 0 303.424 2.774 10 30 DFEERN C=CCN(CC=C)C(=S)NC(=O)c1ccc(OCC)cc1 ZINC000014012507 181919895 /nfs/dbraw/zinc/91/98/95/181919895.db2.gz ZTSBICRERVUYRZ-UHFFFAOYSA-N 0 0 304.415 2.774 10 30 DFEERN CN(C)c1ccnc(SCC(=O)Nc2ccccc2)c1C#N ZINC000019334574 182117183 /nfs/dbraw/zinc/11/71/83/182117183.db2.gz MWGPKDXNILIYRE-UHFFFAOYSA-N 0 0 312.398 2.750 10 30 DFEERN CCN(c1ccccc1)S(=O)(=O)Cc1ccccc1C#N ZINC000020007817 182176764 /nfs/dbraw/zinc/17/67/64/182176764.db2.gz GMBQFXOSPYZWRI-UHFFFAOYSA-N 0 0 300.383 2.915 10 30 DFEERN CSc1nc2n(n1)[C@@H](c1ccc(C)o1)C1C(=O)CCCC1=N2 ZINC000020093416 182186107 /nfs/dbraw/zinc/18/61/07/182186107.db2.gz JPYVVFFGBFFACO-ZDUSSCGKSA-N 0 0 316.386 2.923 10 30 DFEERN COc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000020394995 182214356 /nfs/dbraw/zinc/21/43/56/182214356.db2.gz ODIQRMMUFFULPI-GZTJUZNOSA-N 0 0 318.398 2.624 10 30 DFEERN N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000020479064 182222488 /nfs/dbraw/zinc/22/24/88/182222488.db2.gz NCPMLVVGLVWIIE-UHFFFAOYSA-N 0 0 312.241 2.627 10 30 DFEERN C=CCn1c(COC)nnc1SCc1nc2ccccc2[nH]1 ZINC000020426208 182216114 /nfs/dbraw/zinc/21/61/14/182216114.db2.gz NWTSULGKJZEKBY-UHFFFAOYSA-N 0 0 315.402 2.779 10 30 DFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430792 182217188 /nfs/dbraw/zinc/21/71/88/182217188.db2.gz ZPUNXYHINCZKQI-MRVPVSSYSA-N 0 0 301.159 2.691 10 30 DFEERN N#CCOc1c(Br)cc(Br)cc1C=O ZINC000035657378 182785001 /nfs/dbraw/zinc/78/50/01/182785001.db2.gz STASGSGEXXIYPO-UHFFFAOYSA-N 0 0 318.952 2.926 10 30 DFEERN Cn1cc(C(=O)Nc2ccc(C#N)cc2)c(=O)c2cccc(F)c21 ZINC000039963067 183025469 /nfs/dbraw/zinc/02/54/69/183025469.db2.gz DKVXNQALMWJHKV-UHFFFAOYSA-N 0 0 321.311 2.802 10 30 DFEERN C=CCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 ZINC000040185237 183045080 /nfs/dbraw/zinc/04/50/80/183045080.db2.gz KPSMATVYZQCYSN-UHFFFAOYSA-N 0 0 306.369 2.890 10 30 DFEERN C=CCNc1ncnc(Nc2ccccc2C(=O)OCC)c1N ZINC000040709171 183120783 /nfs/dbraw/zinc/12/07/83/183120783.db2.gz SIBFIFFENLZCMN-UHFFFAOYSA-N 0 0 313.361 2.577 10 30 DFEERN CCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1 ZINC000043470123 183366037 /nfs/dbraw/zinc/36/60/37/183366037.db2.gz OBMFMMYUTYRFJR-UHFFFAOYSA-N 0 0 322.405 2.859 10 30 DFEERN CN(c1ccc(/C(N)=N/O)cc1)c1ccc(Br)cn1 ZINC000061950927 184198530 /nfs/dbraw/zinc/19/85/30/184198530.db2.gz WQUBXWFRVWAGSR-UHFFFAOYSA-N 0 0 321.178 2.707 10 30 DFEERN CS(=O)(=O)N1CC[C@H](c2cccc(C#N)c2)c2ccccc21 ZINC000616586864 399487212 /nfs/dbraw/zinc/48/72/12/399487212.db2.gz CDSMFWYEMBQXPY-OAHLLOKOSA-N 0 0 312.394 2.860 10 30 DFEERN N#Cc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000616626113 399492006 /nfs/dbraw/zinc/49/20/06/399492006.db2.gz ROKXTPKZDHZZFY-INIZCTEOSA-N 0 0 312.394 2.736 10 30 DFEERN O=C(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100297160 256562108 /nfs/dbraw/zinc/56/21/08/256562108.db2.gz VLBWJYWEXRBYPB-UHFFFAOYSA-N 0 0 314.107 2.992 10 30 DFEERN CC(=NNS(=O)(=O)c1ccc(C(C)C)cc1)c1ccncc1 ZINC000254289154 427220245 /nfs/dbraw/zinc/22/02/45/427220245.db2.gz DFCQTRNMRLFSCW-UHFFFAOYSA-N 0 0 317.414 2.908 10 30 DFEERN N#Cc1ccc(Br)c([N+](=O)[O-])c1Br ZINC000575695826 430092289 /nfs/dbraw/zinc/09/22/89/430092289.db2.gz YEAYZYLKUCBPBC-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN CCOc1c(OC)ccc(I)c1CC#N ZINC000575697852 430094802 /nfs/dbraw/zinc/09/48/02/430094802.db2.gz OSJUETMMNURBTH-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN N#CCc1ccc(OC(F)F)c(I)c1N ZINC000575716251 430096919 /nfs/dbraw/zinc/09/69/19/430096919.db2.gz BDDFLYOMDJBFTR-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN N#CCc1c(I)cc(N)cc1OC(F)F ZINC000575718166 430097508 /nfs/dbraw/zinc/09/75/08/430097508.db2.gz ZVSIJIBPCSTEIC-UHFFFAOYSA-N 0 0 324.068 2.541 10 30 DFEERN COC(=O)Cc1ccc(C(F)F)c(Br)c1C#N ZINC000575382760 430080570 /nfs/dbraw/zinc/08/05/70/430080570.db2.gz RPJVXUPHKVYBRM-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1OC(F)F ZINC000575386693 430080878 /nfs/dbraw/zinc/08/08/78/430080878.db2.gz AQPXXUHYYWPPBL-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1cc(OC(F)F)cc(OC(F)(F)F)c1C#N ZINC000575388210 430081281 /nfs/dbraw/zinc/08/12/81/430081281.db2.gz OIXOMZNQFYQSOF-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1cc(OC(F)F)cc(C#N)c1C(F)(F)F ZINC000575386882 430081393 /nfs/dbraw/zinc/08/13/93/430081393.db2.gz MWIKODPIPVDFTM-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)Cc1c(C=O)c(C#N)ccc1SC(F)(F)F ZINC000575390932 430081447 /nfs/dbraw/zinc/08/14/47/430081447.db2.gz BAXQCSRKSATZKB-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)c1cc(C#N)cc(OC(F)F)c1OC(F)(F)F ZINC000575387683 430081826 /nfs/dbraw/zinc/08/18/26/430081826.db2.gz ITCLXMDGHGYOFR-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)c1c(OC(F)F)ccc(C#N)c1OC(F)(F)F ZINC000575387267 430081835 /nfs/dbraw/zinc/08/18/35/430081835.db2.gz GKQFBPYYBRPJMC-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)c1c(OC(F)(F)F)ccc(C#N)c1OC(F)F ZINC000575387206 430081845 /nfs/dbraw/zinc/08/18/45/430081845.db2.gz BUZKTNPJENIXEX-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)c1c(C#N)cc(OC(F)(F)F)cc1OC(F)F ZINC000575388592 430081866 /nfs/dbraw/zinc/08/18/66/430081866.db2.gz ZGUFJLHWWSOJAG-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1cc(C#N)c(OC(F)F)cc1C(F)(F)F ZINC000575386718 430081942 /nfs/dbraw/zinc/08/19/42/430081942.db2.gz BWZLRXFHGFNAOW-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)c1ccc(C#N)c(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575394976 430082283 /nfs/dbraw/zinc/08/22/83/430082283.db2.gz ZSUKQZMNSKSYJS-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575393847 430082601 /nfs/dbraw/zinc/08/26/01/430082601.db2.gz LOKIUNREYKGNRG-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1OC ZINC000575394869 430082991 /nfs/dbraw/zinc/08/29/91/430082991.db2.gz QSWRRIVHOGYITO-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C#N ZINC000575395609 430083124 /nfs/dbraw/zinc/08/31/24/430083124.db2.gz JVBXHBUSHUTMBP-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395559 430083331 /nfs/dbraw/zinc/08/33/31/430083331.db2.gz HHBLFTSYXPBHSW-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN COC(=O)c1cc([N+](=O)[O-])c(SC(F)(F)F)cc1C#N ZINC000575394291 430083413 /nfs/dbraw/zinc/08/34/13/430083413.db2.gz SLHUKQBOXUIZJF-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1c(SC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575393853 430083426 /nfs/dbraw/zinc/08/34/26/430083426.db2.gz LVPPSVJZKOGLGU-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575393783 430083436 /nfs/dbraw/zinc/08/34/36/430083436.db2.gz JJSIDPXGLCGHPT-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOC(=O)c1c(C#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395960 430083690 /nfs/dbraw/zinc/08/36/90/430083690.db2.gz YFMUWJQAYAENCO-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395981 430083831 /nfs/dbraw/zinc/08/38/31/430083831.db2.gz ZKUQFZOTHYAYDL-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN CCOc1c(C#N)cc(I)cc1CC#N ZINC000575646299 430087516 /nfs/dbraw/zinc/08/75/16/430087516.db2.gz MZVHPJQOJIAFIN-UHFFFAOYSA-N 0 0 312.110 2.628 10 30 DFEERN COC(=O)c1c(Br)cc(C#N)cc1Br ZINC000021985970 277147657 /nfs/dbraw/zinc/14/76/57/277147657.db2.gz LRGFIZNZPDYCJU-UHFFFAOYSA-N 0 0 318.952 2.870 10 30 DFEERN C[C@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000109445194 333013769 /nfs/dbraw/zinc/01/37/69/333013769.db2.gz MTDDHLSWYLTRFU-SNVBAGLBSA-N 0 0 312.200 2.663 10 30 DFEERN C[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000109444994 333013793 /nfs/dbraw/zinc/01/37/93/333013793.db2.gz FUGUHAPHUFOBKP-JTQLQIEISA-N 0 0 312.200 2.663 10 30 DFEERN O=C(ONCc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000211941628 333365869 /nfs/dbraw/zinc/36/58/69/333365869.db2.gz TXHSSFFLJXWZAF-UHFFFAOYSA-N 0 0 304.173 2.968 10 30 DFEERN Cn1c2ccccc2c(C(=O)N(C2CC2)C2(C#N)CCC2)cc1=O ZINC000328906779 334767463 /nfs/dbraw/zinc/76/74/63/334767463.db2.gz LAUJTLYGRBLZAF-UHFFFAOYSA-N 0 0 321.380 2.589 10 30 DFEERN Cc1nc2ccc(NC(=O)c3ncoc3[C@H]3CCCO3)cn2n1 ZINC000328983583 334771374 /nfs/dbraw/zinc/77/13/74/334771374.db2.gz FRUAYYZKPSAWQQ-LLVKDONJSA-N 0 0 313.317 2.514 10 30 DFEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](C)C1 ZINC000329000473 335932688 /nfs/dbraw/zinc/93/26/88/335932688.db2.gz VRIOCYZAWJDYBM-YCPHGPKFSA-N 0 0 320.437 2.940 10 30 DFEERN CC(C)[C@H]1N(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@]12CCCO2 ZINC000329355740 335967745 /nfs/dbraw/zinc/96/77/45/335967745.db2.gz ZBKLAYVBJQTOKQ-JCKWVBRZSA-N 0 0 322.449 2.938 10 30 DFEERN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1nnc2n1CCCC2 ZINC000329387511 335970794 /nfs/dbraw/zinc/97/07/94/335970794.db2.gz QXOZKCASQYJECS-NWDGAFQWSA-N 0 0 319.409 2.779 10 30 DFEERN O=C(NCCC1CCOCC1)N1CCOC2(CCCCC2)C1 ZINC000329793099 336082420 /nfs/dbraw/zinc/08/24/20/336082420.db2.gz ARTMITQNWOZAIK-UHFFFAOYSA-N 0 0 310.438 2.752 10 30 DFEERN O=C(C[C@H]1CCCCNC1=O)NC1(CO)Cc2ccccc2C1 ZINC000329822651 336086307 /nfs/dbraw/zinc/08/63/07/336086307.db2.gz HGTREFUXJRFRRT-CYBMUJFWSA-N 0 0 316.401 2.620 10 30 DFEERN C[C@@H](CC(=O)Nc1cccc2c1C(=O)NC2)N1CCCCC1=O ZINC000329998164 336104178 /nfs/dbraw/zinc/10/41/78/336104178.db2.gz RVOSBPDPDJGTJM-NSHDSACASA-N 0 0 315.373 2.884 10 30 DFEERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H](C)CC1CC1 ZINC000330033724 336107657 /nfs/dbraw/zinc/10/76/57/336107657.db2.gz VTXUIYAWMWZYIJ-SNVBAGLBSA-N 0 0 301.394 2.716 10 30 DFEERN C[C@@H]1CC[C@H](NC(=O)N2CCSC[C@H]2c2cnn(C)c2)C1 ZINC000330057140 336109828 /nfs/dbraw/zinc/10/98/28/336109828.db2.gz WZCMRZIOVGPXKU-XBFCOCLRSA-N 0 0 308.451 2.613 10 30 DFEERN O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000330082766 336112119 /nfs/dbraw/zinc/11/21/19/336112119.db2.gz AYGGKLZTLIHGMX-IUCAKERBSA-N 0 0 317.315 2.502 10 30 DFEERN O=C(NC[C@@H]1CCCC1=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000330095178 336113102 /nfs/dbraw/zinc/11/31/02/336113102.db2.gz UZUQGXBJXOQRNM-VIFPVBQESA-N 0 0 302.305 2.753 10 30 DFEERN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330159030 336119357 /nfs/dbraw/zinc/11/93/57/336119357.db2.gz QOGZSSGYRXJVGT-BBRMVZONSA-N 0 0 324.384 2.715 10 30 DFEERN O=C(NCc1ccc(Cl)cc1Cl)N1CC(O)(C2CC2)C1 ZINC000330263307 336131237 /nfs/dbraw/zinc/13/12/37/336131237.db2.gz WIWWRSVPQVESIV-UHFFFAOYSA-N 0 0 315.200 2.864 10 30 DFEERN O=C(NCc1nc2c(s1)CCCC2)c1cc2n(n1)CCCO2 ZINC000330289370 336133810 /nfs/dbraw/zinc/13/38/10/336133810.db2.gz DVCKKBKFNWJJIY-UHFFFAOYSA-N 0 0 318.402 2.506 10 30 DFEERN CN(C)C1(C#N)CCN(C(=O)Nc2ccc3ccoc3c2)CC1 ZINC000333585649 336206461 /nfs/dbraw/zinc/20/64/61/336206461.db2.gz WHACKQZKLCIGIY-UHFFFAOYSA-N 0 0 312.373 2.884 10 30 DFEERN CCOC(=O)C(=CNc1ccc2nc(C)c(C)nc2c1)C(C)=O ZINC000584654371 337377678 /nfs/dbraw/zinc/37/76/78/337377678.db2.gz ZRQNQUTUXOSVJU-NTEUORMPSA-N 0 0 313.357 2.695 10 30 DFEERN CCOC(=O)Cc1csc(N=NCc2ccccc2OC)n1 ZINC000008653885 520908755 /nfs/dbraw/zinc/90/87/55/520908755.db2.gz UTORILLYIZTSAW-CXUHLZMHSA-N 0 0 319.386 2.703 10 30 DFEERN C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12 ZINC000004742465 560199836 /nfs/dbraw/zinc/19/98/36/560199836.db2.gz IBKDBFFTYVJTSO-HKMWUTPMSA-N 0 0 318.413 2.785 10 30 in-vitro DFEERN Cc1ccc(C2=[N+]([O-])[C@@]3(CCCCC3=O)N(O)C2(C)C)cc1 ZINC000225400485 398348319 /nfs/dbraw/zinc/34/83/19/398348319.db2.gz GFCWHYHMLOEEAT-KRWDZBQOSA-N 0 0 303.382 2.509 10 30 DFEERN C=C(Br)CNc1cc(Br)nc(C)n1 ZINC000229316598 398354733 /nfs/dbraw/zinc/35/47/33/398354733.db2.gz YEHCXJBAEPBCLY-UHFFFAOYSA-N 0 0 306.989 2.868 10 30 DFEERN C#CC[C@H](NN)c1ccc(Br)cc1Br ZINC000236284301 398361500 /nfs/dbraw/zinc/36/15/00/398361500.db2.gz DTGYHHDSQKMPCY-JTQLQIEISA-N 0 0 318.012 2.739 10 30 DFEERN C=CCN(CC=C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000003634964 181043099 /nfs/dbraw/zinc/04/30/99/181043099.db2.gz SVQHPQRSZJSPEB-CQSZACIVSA-N 0 0 302.374 2.552 10 30 DFEERN C#Cc1ccc(C23OCC(c4ccccc4F)(CO2)CO3)cc1 ZINC000005826940 181287894 /nfs/dbraw/zinc/28/78/94/181287894.db2.gz BJBGXPREQPCNLN-UHFFFAOYSA-N 0 0 310.324 2.932 10 30 DFEERN CCOC(=O)c1ccc([C@@H](CC(C)C)OS(C)(=O)=O)cc1 ZINC000146665502 398910273 /nfs/dbraw/zinc/91/02/73/398910273.db2.gz PDLRMNODWINUPM-CQSZACIVSA-N 0 0 314.403 2.927 10 30 DFEERN COC(=O)CCC(C#N)(CCC(=O)OC)c1ccccc1C ZINC000145733669 398909146 /nfs/dbraw/zinc/90/91/46/398909146.db2.gz KISGONJHLDQPBV-UHFFFAOYSA-N 0 0 303.358 2.663 10 30 DFEERN C[C@H](O)CC[C@](C#N)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000006020655 181306471 /nfs/dbraw/zinc/30/64/71/181306471.db2.gz HIUOATAFAFIXAL-WFASDCNBSA-N 0 0 304.781 2.554 10 30 DFEERN Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1ccccc1)C3=CC2=O ZINC000006069550 181310795 /nfs/dbraw/zinc/31/07/95/181310795.db2.gz BXJADPXXGBUTFR-ORAYPTAESA-N 0 0 304.349 2.817 10 30 DFEERN C=CC[NH2+][C@H](CC(=O)Nc1ccc(CCCC)cc1)C(=O)[O-] ZINC000006592982 181358637 /nfs/dbraw/zinc/35/86/37/181358637.db2.gz BPEHLCIAADHSNW-OAHLLOKOSA-N 0 0 304.390 2.587 10 30 DFEERN CCCCCCCCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000059568473 399110669 /nfs/dbraw/zinc/11/06/69/399110669.db2.gz KMCVYVJKAPWREX-AWEZNQCLSA-N 0 0 305.440 2.650 10 30 DFEERN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccco3)C12 ZINC000017055955 182073337 /nfs/dbraw/zinc/07/33/37/182073337.db2.gz LTYMYDPDDCQLPA-QLJPJBMISA-N 0 0 322.324 2.880 10 30 DFEERN C[C@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)N(C)CCC#N ZINC000020017936 182178723 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183107923 /nfs/dbraw/zinc/10/79/23/183107923.db2.gz PCVVKZLIJJIPCS-UHFFFAOYSA-N 0 0 313.317 2.929 10 30 DFEERN CN(Cc1cc(Br)cs1)c1ncc(N)cc1C#N ZINC000042399271 183264689 /nfs/dbraw/zinc/26/46/89/183264689.db2.gz UGTFUVBFBSFAOS-UHFFFAOYSA-N 0 0 323.219 2.996 10 30 DFEERN Cc1cc(Br)cc2c1NC(=O)/C2=N\OCC(F)F ZINC000042750255 183304151 /nfs/dbraw/zinc/30/41/51/183304151.db2.gz PXLTWSZPYLLYKT-UHFFFAOYSA-N 0 0 319.105 2.695 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(C#N)ccn2)C1 ZINC000043220299 183344933 /nfs/dbraw/zinc/34/49/33/183344933.db2.gz KTEGNWDORFBCHD-CYBMUJFWSA-N 0 0 303.362 2.732 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2ncccc2C#N)C1 ZINC000043220273 183345185 /nfs/dbraw/zinc/34/51/85/183345185.db2.gz OYUFPMDQFFQVFK-CYBMUJFWSA-N 0 0 317.389 2.979 10 30 DFEERN N#CCCCCN1C(=O)C(=O)c2c1cccc2Br ZINC000049578687 183744204 /nfs/dbraw/zinc/74/42/04/183744204.db2.gz COHWDAKFBRQQCX-UHFFFAOYSA-N 0 0 307.147 2.672 10 30 DFEERN Cc1ccc(NC(=S)N/N=C\c2ccc(O)cc2O)cc1 ZINC000056695916 184017566 /nfs/dbraw/zinc/01/75/66/184017566.db2.gz RJCRXMXRITVERN-SXGWCWSVSA-N 0 0 301.371 2.727 10 30 DFEERN CCCCOC(=O)[C@H](S)C[C@@H](S)C(=O)OCCCC ZINC000059052630 184134405 /nfs/dbraw/zinc/13/44/05/184134405.db2.gz BROYUNKSNPDORH-GHMZBOCLSA-N 0 0 308.465 2.660 10 30 DFEERN C=CCn1c(COc2ccc([N+](=O)[O-])cc2C)n[nH]c1=S ZINC000064872452 184305240 /nfs/dbraw/zinc/30/52/40/184305240.db2.gz ZYROKCAXCLIPLM-UHFFFAOYSA-N 0 0 306.347 2.922 10 30 DFEERN Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1CCC#N ZINC000002525588 425595084 /nfs/dbraw/zinc/59/50/84/425595084.db2.gz SEOZKXDPWAUHNP-UHFFFAOYSA-N 0 0 303.387 2.502 10 30 DFEERN Cc1ccc(NC(=O)/C=N/OC(=O)NC2CCCCC2)cc1 ZINC000000241777 425548582 /nfs/dbraw/zinc/54/85/82/425548582.db2.gz GXLZZZIXGKJOQC-GZTJUZNOSA-N 0 0 303.362 2.978 10 30 DFEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000334060255 268326807 /nfs/dbraw/zinc/32/68/07/268326807.db2.gz YFOSWFFTMUQGBR-KDOFPFPSSA-N 0 0 309.369 2.856 10 30 DFEERN N#Cc1nc2ccccc2cc1N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000334060256 268326851 /nfs/dbraw/zinc/32/68/51/268326851.db2.gz YFOSWFFTMUQGBR-KSSFIOAISA-N 0 0 309.369 2.856 10 30 DFEERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(C#N)ccn1 ZINC000095085852 426364349 /nfs/dbraw/zinc/36/43/49/426364349.db2.gz LVQXZTKHVQYTQG-ZDUSSCGKSA-N 0 0 303.362 2.732 10 30 DFEERN CCOC(=O)/C(=N\C(=O)OCc1ccccc1)C(F)(F)F ZINC000100094319 426481257 /nfs/dbraw/zinc/48/12/57/426481257.db2.gz MSAOLBKMAUXBHC-LICLKQGHSA-N 0 0 303.236 2.890 10 30 DFEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(N)c1 ZINC000254490006 427222640 /nfs/dbraw/zinc/22/26/40/427222640.db2.gz ADCFWMLQJHFHKB-UHFFFAOYSA-N 0 0 323.805 2.625 10 30 DFEERN O=C1C(=Nc2cccnc2)c2ccccc2N1CN1CCCCC1 ZINC000254509849 427222816 /nfs/dbraw/zinc/22/28/16/427222816.db2.gz PKISLHJQYNTEEL-UHFFFAOYSA-N 0 0 320.396 2.992 10 30 DFEERN CC#CC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000014972493 275440782 /nfs/dbraw/zinc/44/07/82/275440782.db2.gz KHCSFXUTQGEXLX-UHFFFAOYSA-N 0 0 300.745 2.903 10 30 DFEERN N#Cc1cc(OC(F)F)c(I)cc1F ZINC000575659303 430088816 /nfs/dbraw/zinc/08/88/16/430088816.db2.gz LXGJQRXPGHSZRB-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1c(I)ccc(F)c1OC(F)F ZINC000575659391 430089091 /nfs/dbraw/zinc/08/90/91/430089091.db2.gz NOESLVGUCIXGTH-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN N#Cc1ccc(Br)c(Br)c1[N+](=O)[O-] ZINC000575695656 430092750 /nfs/dbraw/zinc/09/27/50/430092750.db2.gz VZZXNPHKUBDAML-UHFFFAOYSA-N 0 0 305.913 2.991 10 30 DFEERN CCOc1cc(CC#N)c(I)c(OC)c1 ZINC000575697712 430094357 /nfs/dbraw/zinc/09/43/57/430094357.db2.gz ILSILCHAUOQIEL-UHFFFAOYSA-N 0 0 317.126 2.765 10 30 DFEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(c2ccc(Cl)cc2)N1O ZINC000575330078 430078496 /nfs/dbraw/zinc/07/84/96/430078496.db2.gz ADJQUMSAZRRYDR-QIGAJUNBSA-N 0 0 323.825 2.963 10 30 DFEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1O ZINC000575392010 430081032 /nfs/dbraw/zinc/08/10/32/430081032.db2.gz KZBUOGNMMKBIHO-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C=O)c1C#N ZINC000575391536 430081192 /nfs/dbraw/zinc/08/11/92/430081192.db2.gz QDCKYSWVCVTLAE-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1OC(F)F ZINC000575387144 430081661 /nfs/dbraw/zinc/08/16/61/430081661.db2.gz AWPDVZTUNQSNRG-UHFFFAOYSA-N 0 0 311.162 2.845 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1OC(F)F ZINC000575386726 430081712 /nfs/dbraw/zinc/08/17/12/430081712.db2.gz CKJRTGOKGMVUBR-UHFFFAOYSA-N 0 0 309.190 2.894 10 30 DFEERN COC(=O)Cc1cc(C#N)c(OC)cc1SC(F)(F)F ZINC000575394989 430082509 /nfs/dbraw/zinc/08/25/09/430082509.db2.gz RHHUEXQDNNRAQY-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575394144 430082733 /nfs/dbraw/zinc/08/27/33/430082733.db2.gz MWWQGNORSBOPSI-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN COC(=O)Cc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575393745 430082865 /nfs/dbraw/zinc/08/28/65/430082865.db2.gz GUKGNSZUGJGYSI-UHFFFAOYSA-N 0 0 320.248 2.794 10 30 DFEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1OC ZINC000575394924 430083085 /nfs/dbraw/zinc/08/30/85/430083085.db2.gz UCEGVUINQXZDDA-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575395870 430083841 /nfs/dbraw/zinc/08/38/41/430083841.db2.gz UDZSRLZJOFXFHH-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN N#CCCN(Cc1cccnc1)C(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004305662 303153026 /nfs/dbraw/zinc/15/30/26/303153026.db2.gz AONWKZLKWQYGAS-VNQPRFMTSA-N 0 0 312.442 2.636 10 30 DFEERN N#CCCN(Cc1cccnc1)C(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000104308174 303153217 /nfs/dbraw/zinc/15/32/17/303153217.db2.gz AONWKZLKWQYGAS-NUEKZKHPSA-N 0 0 312.442 2.636 10 30 DFEERN C[C@@H](CC(=O)N[C@@H]1CCC[C@H]1OC(F)F)N1CCCCC1=O ZINC000328643412 334745491 /nfs/dbraw/zinc/74/54/91/334745491.db2.gz FIJHKMIMTCKSMV-QJPTWQEYSA-N 0 0 318.364 2.894 10 30 DFEERN Cc1cc2c[nH]nc2c(C(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000328719135 334748106 /nfs/dbraw/zinc/74/81/06/334748106.db2.gz GDNJRFMDBKLXAT-LBPRGKRZSA-N 0 0 314.389 2.577 10 30 DFEERN COc1cccc(CC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000328715967 334750668 /nfs/dbraw/zinc/75/06/68/334750668.db2.gz DPTDTYDMDSGHMJ-MAZHCROVSA-N 0 0 304.390 2.793 10 30 DFEERN O=C(C[C@@H]1CCCCNC1=O)NCc1nnc2n1CCCCC2 ZINC000328788570 334757097 /nfs/dbraw/zinc/75/70/97/334757097.db2.gz PKPUUHGIDRTFKF-LBPRGKRZSA-N 0 0 319.409 2.608 10 30 DFEERN CN(C)c1nc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2o1 ZINC000328848854 334759929 /nfs/dbraw/zinc/75/99/29/334759929.db2.gz YOVUPUONZHVRMK-GWCFXTLKSA-N 0 0 300.362 2.924 10 30 DFEERN C[C@H](CC(=O)NC1CCC(C(N)=O)CC1)N1CCCCC1=O ZINC000328792719 335667545 /nfs/dbraw/zinc/66/75/45/335667545.db2.gz ZWBKCJBRPKMLLI-PNESKVBLSA-N 0 0 309.410 2.828 10 30 DFEERN C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)c1cncc(F)c1 ZINC000329284034 335959659 /nfs/dbraw/zinc/95/96/59/335959659.db2.gz FWUSTTIUGJVONT-LLVKDONJSA-N 0 0 320.368 2.638 10 30 DFEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2COc3ccccc32)no1 ZINC000329368865 335968856 /nfs/dbraw/zinc/96/88/56/335968856.db2.gz JHUPANCFUMLQAX-STQMWFEESA-N 0 0 314.345 2.563 10 30 DFEERN O=C(N[C@@H]1COc2ccccc21)N1CCOCC2(CCC2)C1 ZINC000329589465 335998538 /nfs/dbraw/zinc/99/85/38/335998538.db2.gz SPJYCBIGJCVYEO-CQSZACIVSA-N 0 0 302.374 2.537 10 30 DFEERN CN(C(=O)NCc1cnnn1C)C1CCC(C(C)(C)C)CC1 ZINC000329705710 336061387 /nfs/dbraw/zinc/06/13/87/336061387.db2.gz KNEORSJAXUYYLU-UHFFFAOYSA-N 0 0 307.442 2.766 10 30 DFEERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)[C@H]1CCOC1 ZINC000329724394 336070523 /nfs/dbraw/zinc/07/05/23/336070523.db2.gz FWGMNXZYFGPGGI-AVGNSLFASA-N 0 0 309.435 2.662 10 30 DFEERN Cn1nc2c(c1CNC(=O)C[C@H]1CCCCNC1=O)CCCC2 ZINC000329724834 336070826 /nfs/dbraw/zinc/07/08/26/336070826.db2.gz GANGPRIDLQRKFY-GFCCVEGCSA-N 0 0 318.421 2.902 10 30 DFEERN O=C(C[C@@H]1CCOC1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000329771438 336080109 /nfs/dbraw/zinc/08/01/09/336080109.db2.gz GTZNJWIKBJIVNI-ZDUSSCGKSA-N 0 0 302.374 2.937 10 30 DFEERN C[C@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)c1cccc(Cl)c1 ZINC000330107376 336114110 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313.155 2.881 10 30 DFEERN CCN(CCC#N)C(=O)c1cc(N)c(F)cc1Br ZINC000061080028 184161333 /nfs/dbraw/zinc/16/13/33/184161333.db2.gz LIHPQXCQGXZRNG-UHFFFAOYSA-N 0 0 314.158 2.546 10 30 DFEERN Cc1cc(Br)ccc1OCC(=O)N(C)CCC#N ZINC000063061957 184268614 /nfs/dbraw/zinc/26/86/14/184268614.db2.gz NOFOSKLSJRVSSJ-UHFFFAOYSA-N 0 0 311.179 2.508 10 30 DFEERN N#Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000616623163 399490899 /nfs/dbraw/zinc/49/08/99/399490899.db2.gz CFRZIUAMHJYIMH-INIZCTEOSA-N 0 0 312.394 2.736 10 30 DFEERN N#Cc1ccc(OC2CN(C(=O)c3cccc4c3CCC4)C2)cc1 ZINC000130745035 196106451 /nfs/dbraw/zinc/10/64/51/196106451.db2.gz DAEPWOQYUCFPRI-UHFFFAOYSA-N 0 0 318.376 2.950 10 30 DFEERN C[C@@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000504065950 262497093 /nfs/dbraw/zinc/49/70/93/262497093.db2.gz VLTNWNUPWHBSQY-KBIUBDJASA-N 0 0 302.414 2.626 10 30 DFEERN CCOc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000000137513 425538908 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430083077 /nfs/dbraw/zinc/08/30/77/430083077.db2.gz LTTQCCKDCLSQSA-UHFFFAOYSA-N 0 0 302.208 2.591 10 30 DFEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575394158 430083262 /nfs/dbraw/zinc/08/32/62/430083262.db2.gz NGJFIWMRYBTDEK-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CN(C)c1nc2ccc(NC(=O)NC[C@@H]3CCCOC3)cc2o1 ZINC000328829779 334758341 /nfs/dbraw/zinc/75/83/41/334758341.db2.gz UFFCVQUPRBEODJ-NSHDSACASA-N 0 0 318.377 2.646 10 30 DFEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)c1ccncc1F ZINC000328887301 334763528 /nfs/dbraw/zinc/76/35/28/334763528.db2.gz PJBUAGMFXJRFRM-GLQYFDAESA-N 0 0 307.369 2.839 10 30 DFEERN O=C(C[C@@H]1CCOC1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000329112592 335942190 /nfs/dbraw/zinc/94/21/90/335942190.db2.gz KSYSRSUXTOQDEQ-UHTWSYAYSA-N 0 0 321.377 2.550 10 30 DFEERN O=C(NCc1ccc(Cl)cn1)N1CCC2(CNC(=O)C2)CC1 ZINC000329217493 335952173 /nfs/dbraw/zinc/95/21/73/335952173.db2.gz QFLFRJZCCPYZPU-UHFFFAOYSA-N 0 0 322.796 2.591 10 30 DFEERN O=C(Nc1ccc2cc[nH]c2c1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329257787 335956517 /nfs/dbraw/zinc/95/65/17/335956517.db2.gz YDYPPKQHXQAPCR-HOTGVXAUSA-N 0 0 315.373 2.593 10 30 DFEERN CCC[C@H](Cc1ccccc1)NC(=O)N1CC(O)(C2CC2)C1 ZINC000329438797 335976141 /nfs/dbraw/zinc/97/61/41/335976141.db2.gz MOCSBGJSMIYXKM-MRXNPFEDSA-N 0 0 302.418 2.769 10 30 DFEERN Cc1ccccc1C(C)(C)CNC(=O)N1CC(O)(C2CC2)C1 ZINC000329450895 335978092 /nfs/dbraw/zinc/97/80/92/335978092.db2.gz OWJLPKXDOZTCLU-UHFFFAOYSA-N 0 0 302.418 2.643 10 30 DFEERN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cc(C2CC2)ccn1 ZINC000329505628 335985646 /nfs/dbraw/zinc/98/56/46/335985646.db2.gz IQHGOVIGENCFRT-CQSZACIVSA-N 0 0 302.378 2.801 10 30 DFEERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)Cc2cncnc2)C1 ZINC000329511564 335987502 /nfs/dbraw/zinc/98/75/02/335987502.db2.gz KPCNMMHWKRSWQV-KGLIPLIRSA-N 0 0 304.394 2.899 10 30 DFEERN Cn1nncc1CNC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000329536079 335990464 /nfs/dbraw/zinc/99/04/64/335990464.db2.gz LTWXWYVXWXNMEO-QWHCGFSZSA-N 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Cc1csc(N2CCC(C(=O)NC[C@H]3CCCC3=O)CC2)n1 ZINC000330094069 336112876 /nfs/dbraw/zinc/11/28/76/336112876.db2.gz SIZAELNOCJPAQI-CYBMUJFWSA-N 0 0 321.446 2.994 10 30 DFEERN O=C(NC1CC([NH+]2CCCCC2)C1)c1ncoc1[C@@H]1CCCO1 ZINC000330110174 336114246 /nfs/dbraw/zinc/11/42/46/336114246.db2.gz QFOQAOFKMQFOHV-RUXDESIVSA-N 0 0 319.405 2.848 10 30 DFEERN O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@H]1C1CCC1 ZINC000330135323 336117000 /nfs/dbraw/zinc/11/70/00/336117000.db2.gz SMPXGSWLONCCCX-VIFPVBQESA-N 0 0 317.315 2.502 10 30 DFEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000330243312 336129149 /nfs/dbraw/zinc/12/91/49/336129149.db2.gz COQZDOZJAMYMSX-MBNYWOFBSA-N 0 0 308.378 2.892 10 30 DFEERN CC1(C)c2cc(C(=O)N[C@@H]3CCC(=O)NC3)ccc2NC1=O ZINC000330252085 336129969 /nfs/dbraw/zinc/12/99/69/336129969.db2.gz IEUNDNFEJALDNQ-SNVBAGLBSA-N 0 0 301.346 2.989 10 30 DFEERN Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CC(O)(C3CC3)C2)c1 ZINC000330275499 336132378 /nfs/dbraw/zinc/13/23/78/336132378.db2.gz 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/nfs/dbraw/zinc/97/67/03/521976703.db2.gz MTJBWWIJQZJPOV-FPLPWBNLSA-N 0 0 320.385 2.990 10 30 DFEERN C#C[C@@H](NC)c1cc(Cl)ccc1I ZINC000234448603 398359802 /nfs/dbraw/zinc/35/98/02/398359802.db2.gz GEHFHHDFPMHRII-SNVBAGLBSA-N 0 0 305.546 2.838 10 30 DFEERN COC(=O)c1c(Cl)cc(C#N)cc1I ZINC000306609140 398508662 /nfs/dbraw/zinc/50/86/62/398508662.db2.gz XSXZMZSBPCKPSL-UHFFFAOYSA-N 0 0 321.501 2.603 10 30 DFEERN N#Cc1cnn(-c2ncnc3sc4c(c32)CCCCC4)c1N ZINC000035576212 398551224 /nfs/dbraw/zinc/55/12/24/398551224.db2.gz UURLKJMVPJBIQO-UHFFFAOYSA-N 0 0 310.386 2.600 10 30 DFEERN C=CCCC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000044001810 398635171 /nfs/dbraw/zinc/63/51/71/398635171.db2.gz ZBQKFFFCSJGOAW-BQYQJAHWSA-N 0 0 316.401 2.614 10 30 DFEERN CN(C)/C=N/c1nn(C)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000004300384 181094657 /nfs/dbraw/zinc/09/46/57/181094657.db2.gz URUZVDCLZMVLGV-CAOOACKPSA-N 0 0 323.759 2.686 10 30 DFEERN CCOC(=O)c1c(C)[nH]nc1N=NC(C)c1ccc(F)cc1 ZINC000004337448 181099110 /nfs/dbraw/zinc/09/91/10/181099110.db2.gz OQBBEOBWMBIXOO-RQZCQDPDSA-N 0 0 304.325 2.870 10 30 DFEERN COC(=O)c1ccc(NC(=O)C/N=C/CC(C)(C)C)c(OC)c1 ZINC000114329804 398744382 /nfs/dbraw/zinc/74/43/82/398744382.db2.gz DOFIQMWTHGJSLT-GIJQJNRQSA-N 0 0 320.389 2.927 10 30 DFEERN N#Cc1ccccc1-c1cnc2ccc(NC3CCOCC3)nn21 ZINC000115122747 398750016 /nfs/dbraw/zinc/75/00/16/398750016.db2.gz BUCQEBGZOUHFNE-UHFFFAOYSA-N 0 0 319.368 2.859 10 30 DFEERN C#CCOc1c(Br)cc(N)cc1Br ZINC000052856005 398853505 /nfs/dbraw/zinc/85/35/05/398853505.db2.gz ZOSHRFLOMAKRCI-UHFFFAOYSA-N 0 0 304.969 2.806 10 30 DFEERN CC(C)Sc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000005911302 181295807 /nfs/dbraw/zinc/29/58/07/181295807.db2.gz TXRJWSYTRBNYGZ-NTUHNPAUSA-N 0 0 306.351 2.659 10 30 DFEERN c1ccc(OC[C@H]2CO2)c(Cc2ccc(OC[C@H]3CO3)cc2)c1 ZINC000006095360 181312739 /nfs/dbraw/zinc/31/27/39/181312739.db2.gz KWBKELCPJJUMNV-ZWKOTPCHSA-N 0 0 312.365 2.833 10 30 DFEERN COc1ccccc1C(=O)NC(=S)Nc1cccc(C#N)c1 ZINC000006298312 181326931 /nfs/dbraw/zinc/32/69/31/181326931.db2.gz RULRDIMPVSMPLY-UHFFFAOYSA-N 0 0 311.366 2.694 10 30 DFEERN COc1cccc(C=NN=c2sc3ccccc3n2C)c1O ZINC000606347143 399055921 /nfs/dbraw/zinc/05/59/21/399055921.db2.gz HYRQZDUZVLWQJO-UHFFFAOYSA-N 0 0 313.382 2.889 10 30 DFEERN Cc1cc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)cc(O)c1O ZINC000606445321 399072050 /nfs/dbraw/zinc/07/20/50/399072050.db2.gz HIVQQBYXWZEECW-WAYWQWQTSA-N 0 0 301.346 2.649 10 30 DFEERN CCCCCCCSC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000059568493 399110913 /nfs/dbraw/zinc/11/09/13/399110913.db2.gz HFMLNCYWWMQWQL-CYBMUJFWSA-N 0 0 307.481 2.977 10 30 DFEERN Cn1c2ccccc2nc1/C(C#N)=N/OC(=O)c1ccccc1F ZINC000008417350 181555742 /nfs/dbraw/zinc/55/57/42/181555742.db2.gz UOUUOUOHPNHFEK-KGENOOAVSA-N 0 0 322.299 2.797 10 30 DFEERN CCSc1nc2n(n1)[C@H](c1cc[nH]c1)C1C(=O)CCCC1=N2 ZINC000017053386 182071270 /nfs/dbraw/zinc/07/12/70/182071270.db2.gz ISQYFGXEGBJOEV-CYBMUJFWSA-N 0 0 315.402 2.740 10 30 DFEERN N/C(=N\O)c1ccc(Oc2ccccc2Br)nc1 ZINC000019431789 182122955 /nfs/dbraw/zinc/12/29/55/182122955.db2.gz XMHYDQNFRHXBDZ-UHFFFAOYSA-N 0 0 308.135 2.731 10 30 DFEERN N/C(=N\O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000019484413 182125145 /nfs/dbraw/zinc/12/51/45/182125145.db2.gz SSTJPXNADUAMQA-UHFFFAOYSA-N 0 0 308.135 2.731 10 30 DFEERN C=C(Br)Cn1c(CCNC(C)=O)nc2ccccc21 ZINC000040197512 183044741 /nfs/dbraw/zinc/04/47/41/183044741.db2.gz SMHRCUDMUSJNHS-UHFFFAOYSA-N 0 0 322.206 2.624 10 30 DFEERN CCC[C@@H](C#N)N1C(=O)c2ccc(Br)cc2C1=O ZINC000040222359 183046818 /nfs/dbraw/zinc/04/68/18/183046818.db2.gz YOBMPWOFCFFGOC-VIFPVBQESA-N 0 0 307.147 2.737 10 30 DFEERN C=CCNc1ncnc(NCc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000040598611 183108112 /nfs/dbraw/zinc/10/81/12/183108112.db2.gz NWHXSHYXIGOLFY-UHFFFAOYSA-N 0 0 315.333 2.603 10 30 DFEERN N=C1NC(=Nc2ccc(Br)cn2)c2ccccc21 ZINC000040802610 183136195 /nfs/dbraw/zinc/13/61/95/183136195.db2.gz ZRAURUZBCLJFGC-UHFFFAOYSA-N 0 0 301.147 2.641 10 30 DFEERN Cc1ccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)cc1 ZINC000040737133 183127336 /nfs/dbraw/zinc/12/73/36/183127336.db2.gz QANWDHXMKHTVFG-UHFFFAOYSA-N 0 0 321.388 2.745 10 30 DFEERN CSc1nnc(C)c(=O)n1/N=C/c1ccc(C(C)(C)C)cc1 ZINC000041104841 183166106 /nfs/dbraw/zinc/16/61/06/183166106.db2.gz KCTCNZUPJOYIKX-LICLKQGHSA-N 0 0 316.430 2.848 10 30 DFEERN CCN(CC/C(N)=N/O)Cc1ccc(F)cc1Br ZINC000042452350 183272039 /nfs/dbraw/zinc/27/20/39/183272039.db2.gz MAHUTKKLOIMYQI-UHFFFAOYSA-N 0 0 318.190 2.547 10 30 DFEERN Cc1cc(Br)cc2c1NC(=O)/C2=N\OC1CCC1 ZINC000042750257 183304840 /nfs/dbraw/zinc/30/48/40/183304840.db2.gz AARBUJMYNSRJMH-UHFFFAOYSA-N 0 0 309.163 2.983 10 30 DFEERN C=CCOc1ccc([C@@H]2NC(=O)CN2c2ccccc2)cc1OC ZINC000044979367 183472545 /nfs/dbraw/zinc/47/25/45/183472545.db2.gz OTJURQWSQWLWPK-LJQANCHMSA-N 0 0 324.380 2.895 10 30 DFEERN CS(=O)(=O)N1C[C@@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616587886 399487000 /nfs/dbraw/zinc/48/70/00/399487000.db2.gz HNLSTNUYWATNFX-INIZCTEOSA-N 0 0 312.394 2.664 10 30 DFEERN CC(C)(C)OC(=O)N1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616658564 399495581 /nfs/dbraw/zinc/49/55/81/399495581.db2.gz ARWJRFVOALLEFI-HNNXBMFYSA-N 0 0 302.374 2.909 10 30 DFEERN CC1CCN(C(=O)Cn2nc(C#N)c3cc(Cl)ccc32)CC1 ZINC000071882411 184886652 /nfs/dbraw/zinc/88/66/52/184886652.db2.gz UUWSIBVCRZSNKQ-UHFFFAOYSA-N 0 0 316.792 2.820 10 30 DFEERN CCCCCCCCCCCC(=O)NC1=CC(=O)[C@@H]2O[C@@H]2C1=O ZINC000001541911 425582564 /nfs/dbraw/zinc/58/25/64/425582564.db2.gz CPLOIQOGHRAUFQ-ZWKOTPCHSA-N 0 0 321.417 2.827 10 30 DFEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccccc2F)o1 ZINC000008692198 425672273 /nfs/dbraw/zinc/67/22/73/425672273.db2.gz KUUOCVWFJQALKY-VGOFMYFVSA-N 0 0 308.294 2.647 10 30 DFEERN COc1cc(OC)cc(OCC(=O)Nc2ccccc2C#N)c1 ZINC000014734641 425775134 /nfs/dbraw/zinc/77/51/34/425775134.db2.gz XTSYCEIPTMGPQF-UHFFFAOYSA-N 0 0 312.325 2.593 10 30 DFEERN O=[N+]([O-])c1ccc(N=NCc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000032274366 425837827 /nfs/dbraw/zinc/83/78/27/425837827.db2.gz NFICGVFXASYDJR-ZSOIEALJSA-N 0 0 302.246 2.655 10 30 DFEERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000095075425 426363167 /nfs/dbraw/zinc/36/31/67/426363167.db2.gz PEHBSKCDVPVNED-CQSZACIVSA-N 0 0 316.405 2.646 10 30 DFEERN CN1CCc2cc(C[C@H](C=O)CNC(=O)OC(C)(C)C)ccc21 ZINC000098095848 426477742 /nfs/dbraw/zinc/47/77/42/426477742.db2.gz AAAYULDZXOCSIE-AWEZNQCLSA-N 0 0 318.417 2.561 10 30 DFEERN CC(=NNS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000254760785 427223136 /nfs/dbraw/zinc/22/31/36/427223136.db2.gz HTOGAFVSMWOQSM-UHFFFAOYSA-N 0 0 317.208 2.513 10 30 DFEERN CSc1nncn1N=Cc1cc(Br)cs1 ZINC000254853590 427224314 /nfs/dbraw/zinc/22/43/14/427224314.db2.gz GFWBENCUUOTUQV-UHFFFAOYSA-N 0 0 303.210 2.706 10 30 DFEERN N#Cc1ccc(I)c(OC(F)F)c1F ZINC000575659492 430088606 /nfs/dbraw/zinc/08/86/06/430088606.db2.gz OXLWBCBDNRKQGO-UHFFFAOYSA-N 0 0 313.016 2.903 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1Br ZINC000575382738 430079605 /nfs/dbraw/zinc/07/96/05/430079605.db2.gz DRNYYXKUSJSSTF-UHFFFAOYSA-N 0 0 304.090 2.974 10 30 DFEERN CCOC(=O)Cc1c(C#N)c(O)ccc1SC(F)(F)F ZINC000575391656 430081009 /nfs/dbraw/zinc/08/10/09/430081009.db2.gz BYLCLJOXWNAGAY-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN CCOC(=O)Cc1cc(C#N)c(O)cc1SC(F)(F)F ZINC000575391697 430081265 /nfs/dbraw/zinc/08/12/65/430081265.db2.gz GKZOHPLVGCAVOR-UHFFFAOYSA-N 0 0 305.277 2.981 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1C=O ZINC000575391005 430081406 /nfs/dbraw/zinc/08/14/06/430081406.db2.gz CMAFDJQQABOVPI-UHFFFAOYSA-N 0 0 303.261 2.698 10 30 DFEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(OC)c1C#N ZINC000575394914 430082609 /nfs/dbraw/zinc/08/26/09/430082609.db2.gz SRMSNRDYDPIJSZ-UHFFFAOYSA-N 0 0 303.236 2.571 10 30 DFEERN COC(=O)c1ccc([N+](=O)[O-])c(SC(F)(F)F)c1C#N ZINC000575393776 430082785 /nfs/dbraw/zinc/08/27/85/430082785.db2.gz JCAYVFMUAIXJDK-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN COC(=O)Cc1cc(C#N)cc(OC)c1SC(F)(F)F ZINC000575394134 430082914 /nfs/dbraw/zinc/08/29/14/430082914.db2.gz FDLYLKKFKSBHJS-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN COC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1OC ZINC000575394618 430082930 /nfs/dbraw/zinc/08/29/30/430082930.db2.gz NNXDJUYIHAZHEV-UHFFFAOYSA-N 0 0 305.277 2.894 10 30 DFEERN CCOC(=O)c1c(C#N)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575395360 430083064 /nfs/dbraw/zinc/08/30/64/430083064.db2.gz ACKCEYKGFNXDGW-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN COC(=O)c1cc([N+](=O)[O-])c(C#N)cc1SC(F)(F)F ZINC000575393754 430083417 /nfs/dbraw/zinc/08/34/17/430083417.db2.gz HSBADNQRYFKRQI-UHFFFAOYSA-N 0 0 306.221 2.865 10 30 DFEERN CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395859 430083876 /nfs/dbraw/zinc/08/38/76/430083876.db2.gz SPNMLZFFVCMCDM-UHFFFAOYSA-N 0 0 304.180 2.542 10 30 DFEERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)C(=O)N1CCCCC1 ZINC000328646827 334745585 /nfs/dbraw/zinc/74/55/85/334745585.db2.gz HLUICQXMRSXPLS-QWHCGFSZSA-N 0 0 309.410 2.633 10 30 DFEERN COc1cccc(CC(=O)N[C@@H]2CCC(=O)NC23CCC3)n1 ZINC000328721748 334748275 /nfs/dbraw/zinc/74/82/75/334748275.db2.gz XAYVISSJMCRMFY-GFCCVEGCSA-N 0 0 303.362 2.631 10 30 DFEERN Cc1noc2ncc(NC(=O)C[C@@H](C)N3CCCCC3=O)cc12 ZINC000328722809 334748345 /nfs/dbraw/zinc/74/83/45/334748345.db2.gz XUCRIRYZAPJUFO-SNVBAGLBSA-N 0 0 316.361 2.910 10 30 DFEERN Cc1cc(C)c(CNC(=O)C[C@@H](C)N2CCCCC2=O)c(=O)[nH]1 ZINC000328680611 334748706 /nfs/dbraw/zinc/74/87/06/334748706.db2.gz CBTZCYJSPDGHJY-CYBMUJFWSA-N 0 0 319.405 2.652 10 30 DFEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)N1CCCCC1=O ZINC000328757810 334752191 /nfs/dbraw/zinc/75/21/91/334752191.db2.gz VHKCFQRDMRTQGA-CPUCHLNUSA-N 0 0 308.422 2.715 10 30 DFEERN C[C@@H](NC(=O)c1cncc2ccccc21)C(=O)N1CCCCC1 ZINC000328813391 334755149 /nfs/dbraw/zinc/75/51/49/334755149.db2.gz BTOZOSQTWRYRTQ-CYBMUJFWSA-N 0 0 311.385 2.940 10 30 DFEERN CN(C)c1nc2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2o1 ZINC000328848856 334759951 /nfs/dbraw/zinc/75/99/51/334759951.db2.gz YOVUPUONZHVRMK-MFKMUULPSA-N 0 0 300.362 2.924 10 30 DFEERN Cc1nnc(CNC(=O)C[C@H]2CCCCC(=O)N2)n1C1CC1 ZINC000328853991 334760366 /nfs/dbraw/zinc/76/03/66/334760366.db2.gz XJCFPYUKCTZHCX-LLVKDONJSA-N 0 0 305.382 2.667 10 30 DFEERN O=C(NC[C@@H]1CCCCO1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000329132854 335944341 /nfs/dbraw/zinc/94/43/41/335944341.db2.gz AVJPORLHNIGFKQ-LSDHHAIUSA-N 0 0 308.422 2.693 10 30 DFEERN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329356927 335967646 /nfs/dbraw/zinc/96/76/46/335967646.db2.gz WJUZNTKMTVNCQR-CYBMUJFWSA-N 0 0 318.398 2.971 10 30 DFEERN CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000329480109 335982287 /nfs/dbraw/zinc/98/22/87/335982287.db2.gz VLHCCQMAJPLQPR-SOLBZPMBSA-N 0 0 322.449 2.938 10 30 DFEERN CC(=O)N[C@H](C)C1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329484751 335982434 /nfs/dbraw/zinc/98/24/34/335982434.db2.gz FSVIOVRVYSMWIH-DOMZBBRYSA-N 0 0 323.437 2.737 10 30 DFEERN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000329528881 335989404 /nfs/dbraw/zinc/98/94/04/335989404.db2.gz SVQGOKSYVBUTFE-LLVKDONJSA-N 0 0 305.378 2.566 10 30 DFEERN Cn1c2ccc(NC(=O)C3(O)CCOCC3)cc2nc1C1CC1 ZINC000330076748 336111632 /nfs/dbraw/zinc/11/16/32/336111632.db2.gz HDADSWHCSGTTLL-UHFFFAOYSA-N 0 0 315.373 2.580 10 30 DFEERN Cc1cccc(NC(=O)CN(C)[C@H]2CCN(C3CC3)C2=O)c1C ZINC000330156420 336118846 /nfs/dbraw/zinc/11/88/46/336118846.db2.gz OSHORIGUHRHEBJ-INIZCTEOSA-N 0 0 315.417 2.587 10 30 DFEERN Cc1ncc2n1CC[C@H](C(=O)N[C@]1(C)CCO[C@H]1C1CC1)C2 ZINC000330172693 336120482 /nfs/dbraw/zinc/12/04/82/336120482.db2.gz GQWFORIFYSBYJW-JLJPHGGASA-N 0 0 303.406 2.668 10 30 DFEERN Cc1nc([C@H](C)[NH+]=C([O-])N2CCC[C@H]2Cn2ccnc2)cs1 ZINC000330255125 336130497 /nfs/dbraw/zinc/13/04/97/336130497.db2.gz PMCNDCHPPNXYLN-AAEUAGOBSA-N 0 0 319.434 2.788 10 30 DFEERN C[C@H](NC(=O)[C@]1(C)CCCNC1=O)[C@@H](O)Cc1ccccc1 ZINC000330321072 336157832 /nfs/dbraw/zinc/15/78/32/336157832.db2.gz RZBWMXHXMDZFIQ-RVSPLBMKSA-N 0 0 304.390 2.692 10 30 DFEERN CC(C)[C@@H]1N(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@]12CCCO2 ZINC000333065158 336197574 /nfs/dbraw/zinc/19/75/74/336197574.db2.gz JANYWHYJHZKBGH-QGTPRVQTSA-N 0 0 302.418 2.876 10 30 DFEERN C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)CC(=O)CC[C@]34S)[C@@H]1CCC2=O ZINC000584601894 337370940 /nfs/dbraw/zinc/37/09/40/337370940.db2.gz QZGQVKCHVVYVNQ-RUGNVHPYSA-N 0 0 322.470 2.945 10 30 DFEERN C=CCN=[S@@](C)(=O)N(CC=C)Cc1ccc(OC)cc1OC ZINC000584605144 337371489 /nfs/dbraw/zinc/37/14/89/337371489.db2.gz CEPPBBFHWOLTRG-JOCHJYFZSA-N 0 0 324.446 2.891 10 30 DFEERN C=CC[C@@](Cc1ccc2c(c1)OCO2)(C(C)=O)C(=O)OCC ZINC000584615302 337372820 /nfs/dbraw/zinc/37/28/20/337372820.db2.gz XVBIYQRHIMBTCQ-QGZVFWFLSA-N 0 0 304.342 2.672 10 30 DFEERN CCOC(=O)c1cc2cc(C#N)cc(Br)c2n1C ZINC000584618809 337373306 /nfs/dbraw/zinc/37/33/06/337373306.db2.gz QQMVPMOJHZTCRA-UHFFFAOYSA-N 0 0 307.147 2.989 10 30 DFEERN N#Cc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000584637369 337379437 /nfs/dbraw/zinc/37/94/37/337379437.db2.gz ZITBMWCJYKLAFX-UHFFFAOYSA-N 0 0 312.272 2.805 10 30 DFEERN CCC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1 ZINC000584640629 337379897 /nfs/dbraw/zinc/37/98/97/337379897.db2.gz JYGCFFPADDOKDK-SJKOYZFVSA-N 0 0 309.369 2.679 10 30 DFEERN COC(=O)c1sc(N=NCc2ccc(N(C)C)cc2)nc1C ZINC000035189392 522420674 /nfs/dbraw/zinc/42/06/74/522420674.db2.gz BFGNLXSDCVRSDS-SXGWCWSVSA-N 0 0 318.402 2.750 10 30 DFEERN