smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=C/c2cccs2)CCC/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000051330012 214088774 /nfs/dbraw/zinc/08/87/74/214088774.db2.gz LVLSCCOPBGCMSI-LCPPQYOVSA-N 0 0 325.389 4.876 50 30 EJEARN CSc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000051318607 214088974 /nfs/dbraw/zinc/08/89/74/214088974.db2.gz ROLVQVDCGAZACQ-ZHACJKMWSA-N 0 0 348.265 4.980 50 30 EJEARN N#C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)=N1 ZINC000004735721 210263750 /nfs/dbraw/zinc/26/37/50/210263750.db2.gz ZDCYLRRMEQQFBM-QGZVFWFLSA-N 0 0 330.218 4.668 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC ZINC000004714247 210256298 /nfs/dbraw/zinc/25/62/98/210256298.db2.gz ROEWVZKDIRTGTM-QPJJXVBHSA-N 0 0 337.202 4.907 50 30 EJEARN C=C(C)COc1cccc(C(=O)N[C@@H](CC(C)C)c2cccnc2)c1 ZINC000055053664 214268009 /nfs/dbraw/zinc/26/80/09/214268009.db2.gz CZWAZYHSENGSDW-FQEVSTJZSA-N 0 0 338.451 4.554 50 30 EJEARN CCNc1ccccc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O ZINC000004667375 210241310 /nfs/dbraw/zinc/24/13/10/210241310.db2.gz ILJUUQOXEQAQMW-ZHACJKMWSA-N 0 0 348.229 4.682 50 30 EJEARN Cc1ccsc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000004660259 210240577 /nfs/dbraw/zinc/24/05/77/210240577.db2.gz KTNRHSKAIUCBKC-JYRVWZFOSA-N 0 0 334.853 4.602 50 30 EJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccccc3)sc2C1 ZINC000097989766 219065587 /nfs/dbraw/zinc/06/55/87/219065587.db2.gz SILUSGJNEZFCDK-RBJHHQRMSA-N 0 0 336.460 4.787 50 30 EJEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004575650 210224554 /nfs/dbraw/zinc/22/45/54/210224554.db2.gz BOIADDHOQWRIGK-KGENOOAVSA-N 0 0 332.359 4.924 50 30 EJEARN Cc1sc(NC(=O)CCSc2ccc(C)cc2)c(C#N)c1C ZINC000004570338 210223314 /nfs/dbraw/zinc/22/33/14/210223314.db2.gz MQOAIIISWUVMPD-UHFFFAOYSA-N 0 0 330.478 4.666 50 30 EJEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N=C3C)C2)cc1 ZINC000100123570 219091729 /nfs/dbraw/zinc/09/17/29/219091729.db2.gz MKPKASXZXPKWDK-HNNXBMFYSA-N 0 0 332.403 4.614 50 30 EJEARN Cc1cc(C(=O)C=CNc2ccc(Br)cc2)c(C)s1 ZINC000100112213 219091941 /nfs/dbraw/zinc/09/19/41/219091941.db2.gz RHHRHFCYVSDIAP-BQYQJAHWSA-N 0 0 336.254 4.936 50 30 EJEARN CCC(=O)Nc1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000100171134 219093610 /nfs/dbraw/zinc/09/36/10/219093610.db2.gz VFLORWMDGQEHTH-WOJGMQOQSA-N 0 0 331.213 4.548 50 30 EJEARN CCCCCCCOc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000100332141 219097006 /nfs/dbraw/zinc/09/70/06/219097006.db2.gz AEQIYJVQTOYNDT-UHFFFAOYSA-N 0 0 334.456 4.952 50 30 EJEARN CCCCCCCc1c(C)[n-]n(C(=O)c2ccc(Cl)cc2)c1=O ZINC000100397192 219098481 /nfs/dbraw/zinc/09/84/81/219098481.db2.gz RJPIJOHWFZGRER-INIZCTEOSA-N 0 0 334.847 4.675 50 30 EJEARN CCC/C=N/N=c1/scc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000004475472 210197003 /nfs/dbraw/zinc/19/70/03/210197003.db2.gz UYEILIKLJKHLJB-BSSBVLFISA-N 0 0 337.448 4.598 50 30 EJEARN CCCCCCCCCNC=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100641749 219103317 /nfs/dbraw/zinc/10/33/17/219103317.db2.gz HCAXEBWCHRHUSF-UHFFFAOYSA-N 0 0 341.495 4.926 50 30 EJEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100746495 219106042 /nfs/dbraw/zinc/10/60/42/219106042.db2.gz TULKAGVGEUTIOV-XFXZXTDPSA-N 0 0 330.771 4.755 50 30 EJEARN CCCCCCCCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000100846708 219108598 /nfs/dbraw/zinc/10/85/98/219108598.db2.gz BTOPKTORHFWJAI-SSZFMOIBSA-N 0 0 333.453 4.750 50 30 EJEARN C=CCOc1ccc([C@H]2[C@@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000004388983 210186220 /nfs/dbraw/zinc/18/62/20/210186220.db2.gz HCTSNRAHSVKAGC-IRLDBZIGSA-N 0 0 332.447 4.595 50 30 EJEARN O=C(O/N=C/c1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000004389766 210185980 /nfs/dbraw/zinc/18/59/80/210185980.db2.gz NNRLTIUPMCLMOC-ODCIPOBUSA-N 0 0 345.679 4.689 50 30 EJEARN CCCCCCCCCCCCn1nnnc1Cc1ccccn1 ZINC000101174649 219118520 /nfs/dbraw/zinc/11/85/20/219118520.db2.gz MAFYOWBTOVSXBQ-UHFFFAOYSA-N 0 0 329.492 4.580 50 30 EJEARN Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1C(C)C ZINC000004186995 210142250 /nfs/dbraw/zinc/14/22/50/210142250.db2.gz CFDWNWKAQYCNOB-UHFFFAOYSA-N 0 0 348.475 4.863 50 30 EJEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(c1ccc(F)cc1)CC2 ZINC000004170435 210138429 /nfs/dbraw/zinc/13/84/29/210138429.db2.gz BQKJBAPBSRNLCQ-UHFFFAOYSA-N 0 0 342.377 4.501 50 30 EJEARN CCCCCCCCC[C@H](O)CCCCCCCC(=O)OCCO ZINC000101683463 219155519 /nfs/dbraw/zinc/15/55/19/219155519.db2.gz VPXCRGSFNXYSBO-IBGZPJMESA-N 0 0 344.536 4.754 50 30 EJEARN C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 ZINC000004070051 210111855 /nfs/dbraw/zinc/11/18/55/210111855.db2.gz ANLKTZXNULWNEE-JTQLQIEISA-N 0 0 330.840 4.650 50 30 EJEARN COc1ccc(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)cc1OC ZINC000004065086 210111494 /nfs/dbraw/zinc/11/14/94/210111494.db2.gz IFPFGCQMNFFWET-WUXMJOGZSA-N 0 0 344.410 4.852 50 30 EJEARN O=C(/C=C/c1ccc2ncccc2c1)c1ccc(Br)cc1 ZINC000004058791 210108619 /nfs/dbraw/zinc/10/86/19/210108619.db2.gz WFRHYYNEEILVAT-ONNFQVAWSA-N 0 0 338.204 4.893 50 30 EJEARN CN(C)c1ccc(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000004017459 210101544 /nfs/dbraw/zinc/10/15/44/210101544.db2.gz UKBRUGFANDKMQW-OVCLIPMQSA-N 0 0 327.427 4.901 50 30 EJEARN CCc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000003911137 210092314 /nfs/dbraw/zinc/09/23/14/210092314.db2.gz NRINSZCALQRUBJ-VQHVLOKHSA-N 0 0 338.790 4.905 50 30 EJEARN O=C1c2ccccc2N/C1=C1\Sc2c(ccc3ccccc23)C1=O ZINC000003905675 210089536 /nfs/dbraw/zinc/08/95/36/210089536.db2.gz IGUCNYBLMXAVRH-SILNSSARSA-N 0 0 329.380 4.648 50 30 EJEARN C=CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000003669304 210072199 /nfs/dbraw/zinc/07/21/99/210072199.db2.gz PHNZOFMILVFHQT-UHFFFAOYSA-N 0 0 346.459 4.500 50 30 EJEARN C=CCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000003558683 210055009 /nfs/dbraw/zinc/05/50/09/210055009.db2.gz GNJTZOCXGLRLBW-UHFFFAOYSA-N 0 0 338.407 4.782 50 30 EJEARN CC(C)CN(CCC#N)C(=S)Nc1ccc(Cl)cc1Cl ZINC000003414950 210033371 /nfs/dbraw/zinc/03/33/71/210033371.db2.gz CGCTVVLBCRWKAM-UHFFFAOYSA-N 0 0 330.284 4.562 50 30 EJEARN C=CCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000002201919 209828487 /nfs/dbraw/zinc/82/84/87/209828487.db2.gz PFIKRYDSFQQFCV-UHFFFAOYSA-N 0 0 329.856 4.945 50 30 EJEARN CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000040151625 213273518 /nfs/dbraw/zinc/27/35/18/213273518.db2.gz MWQQXWSBLWEUSK-ZDUSSCGKSA-N 0 0 327.815 4.827 50 30 EJEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccnc3)C12 ZINC000018181895 201994540 /nfs/dbraw/zinc/99/45/40/201994540.db2.gz RJQDJLBFYHEVGX-OAQYLSRUSA-N 0 0 342.423 4.948 50 30 EJEARN CC(C)(C)c1ccc(Cn2c(-c3ccccc3)ccc(C#N)c2=O)cc1 ZINC000001402921 209741357 /nfs/dbraw/zinc/74/13/57/209741357.db2.gz SXNGLAXVGZNGNT-UHFFFAOYSA-N 0 0 342.442 4.733 50 30 EJEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccco1 ZINC000000544120 209658006 /nfs/dbraw/zinc/65/80/06/209658006.db2.gz MPDJMQMNLWQSIA-ODLFYWEKSA-N 0 0 336.318 4.614 50 30 EJEARN CO/N=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000022873200 202093737 /nfs/dbraw/zinc/09/37/37/202093737.db2.gz GSUVFSXDMIDSDM-IFRROFPPSA-N 0 0 330.693 4.526 50 30 EJEARN N#Cc1ccc(F)c(CSc2nc(-c3ccc(F)cc3)c[nH]2)c1 ZINC000027227517 202152970 /nfs/dbraw/zinc/15/29/70/202152970.db2.gz KZISGPVAPFKVNR-UHFFFAOYSA-N 0 0 327.359 4.519 50 30 EJEARN CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000028874583 202178234 /nfs/dbraw/zinc/17/82/34/202178234.db2.gz CLSSUUIOPLCVIK-CYBMUJFWSA-N 0 0 341.842 4.774 50 30 EJEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1Cl ZINC000037526244 213154662 /nfs/dbraw/zinc/15/46/62/213154662.db2.gz NJADGHCVINEWIQ-UHFFFAOYSA-N 0 0 344.867 4.629 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccccc2C)cc(OC)c1OC(F)F ZINC000032665933 202229767 /nfs/dbraw/zinc/22/97/67/202229767.db2.gz UIEUCBBLDYGEJT-CMDGGOBGSA-N 0 0 348.345 4.510 50 30 EJEARN CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O ZINC000034966922 213001990 /nfs/dbraw/zinc/00/19/90/213001990.db2.gz NMIRKZWCHKQRAV-HZMYXVCSSA-N 0 0 325.839 4.591 50 30 EJEARN CCCc1cc(NCc2ccco2)n2c3ccccc3nc2c1C#N ZINC000000409562 209572896 /nfs/dbraw/zinc/57/28/96/209572896.db2.gz NODPIXURQJQXAZ-UHFFFAOYSA-N 0 0 330.391 4.517 50 30 EJEARN C/C(CC(C)C)=N\Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000000195151 209477342 /nfs/dbraw/zinc/47/73/42/209477342.db2.gz MFXLZKIOQXMLDL-UDWIEESQSA-N 0 0 341.436 4.750 50 30 EJEARN C=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000000191755 209475059 /nfs/dbraw/zinc/47/50/59/209475059.db2.gz ZQDIGWQCHURWGR-UHFFFAOYSA-N 0 0 338.208 4.686 50 30 EJEARN CC1(C)CCc2cc(/C=N/OC(=O)c3ccc(Cl)cc3)ccc2O1 ZINC000000149317 209453015 /nfs/dbraw/zinc/45/30/15/209453015.db2.gz NHQMCNFZFVOCEM-CIAFOILYSA-N 0 0 343.810 4.635 50 30 EJEARN CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000072400435 216194313 /nfs/dbraw/zinc/19/43/13/216194313.db2.gz SVUQHVRAGMNPLW-IBGZPJMESA-N 0 0 344.536 4.754 50 30 EJEARN Cc1cc(N[C@H](C)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000000091840 209415414 /nfs/dbraw/zinc/41/54/14/209415414.db2.gz LEHPBEXQJOWRLI-OAHLLOKOSA-N 0 0 326.403 4.841 50 30 EJEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 ZINC000005215660 201362028 /nfs/dbraw/zinc/36/20/28/201362028.db2.gz CGHCPKCVPIJAFE-NDENLUEZSA-N 0 0 332.355 4.783 50 30 EJEARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1/Cc2ccccc2C1=O ZINC000096766580 201378587 /nfs/dbraw/zinc/37/85/87/201378587.db2.gz KPTDXLPSFPLTCS-ATVHPVEESA-N 0 0 348.833 4.716 50 30 EJEARN CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2SCC#N)cc1 ZINC000023057323 212345386 /nfs/dbraw/zinc/34/53/86/212345386.db2.gz XAZQOLQYVLZOOI-HNNXBMFYSA-N 0 0 338.476 4.917 50 30 EJEARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1N=C1CCCCCC1 ZINC000000079724 201430704 /nfs/dbraw/zinc/43/07/04/201430704.db2.gz UPLIBMGWSORXKJ-HXUWFJFHSA-N 0 0 333.435 4.963 50 30 EJEARN N#Cc1ccccc1-c1ccc(CSc2nnc(C3CC3)[nH]2)cc1 ZINC000022417735 212296479 /nfs/dbraw/zinc/29/64/79/212296479.db2.gz INOULJNYNLDXOH-UHFFFAOYSA-N 0 0 332.432 4.513 50 30 EJEARN Cc1cc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3C#N)o2)no1 ZINC000216124034 241165724 /nfs/dbraw/zinc/16/57/24/241165724.db2.gz FXCTXJIOBNLEIK-FQEVSTJZSA-N 0 0 347.418 4.842 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C12 ZINC000000222582 201452137 /nfs/dbraw/zinc/45/21/37/201452137.db2.gz NLNTWIXHYKFWAG-LJQANCHMSA-N 0 0 349.821 4.712 50 30 EJEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1C ZINC000021798011 212249880 /nfs/dbraw/zinc/24/98/80/212249880.db2.gz FOZHDBFTZDVLFL-UHFFFAOYSA-N 0 0 340.430 4.994 50 30 EJEARN Clc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1 ZINC000005646890 201657972 /nfs/dbraw/zinc/65/79/72/201657972.db2.gz SSYAPQIMVRHBGY-RGVLZGJSSA-N 0 0 336.782 4.922 50 30 EJEARN CCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020792082 212172288 /nfs/dbraw/zinc/17/22/88/212172288.db2.gz CZRIJTSIKGZFEH-UHFFFAOYSA-N 0 0 335.451 4.684 50 30 EJEARN N#Cc1c(N)nc(-c2ccncc2)cc1-c1cccc(Cl)c1Cl ZINC000020291432 212116674 /nfs/dbraw/zinc/11/66/74/212116674.db2.gz PYNIFUAKEWSAEP-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)cc1 ZINC000019841845 212075735 /nfs/dbraw/zinc/07/57/35/212075735.db2.gz LYYFCTAEJVPSIF-UHFFFAOYSA-N 0 0 335.794 4.531 50 30 EJEARN CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccccc2)n1 ZINC000019820826 212071653 /nfs/dbraw/zinc/07/16/53/212071653.db2.gz IIVVSZAFIVMIGV-UHFFFAOYSA-N 0 0 336.395 4.620 50 30 EJEARN CCCCC(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000102975557 204056365 /nfs/dbraw/zinc/05/63/65/204056365.db2.gz HPKJXIBDZUYNRE-CYBMUJFWSA-N 0 0 348.483 4.568 50 30 EJEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 ZINC000049583648 214021862 /nfs/dbraw/zinc/02/18/62/214021862.db2.gz XFJZGXGBGAXGIH-UHFFFAOYSA-N 0 0 340.279 4.941 50 30 EJEARN COc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc32)c(OC)c1 ZINC000016840726 211937199 /nfs/dbraw/zinc/93/71/99/211937199.db2.gz YKXWMOKZLIEQSW-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 ZINC000015932219 211870691 /nfs/dbraw/zinc/87/06/91/211870691.db2.gz VGIIMQDYISWWRF-DHDCSXOGSA-N 0 0 346.814 4.679 50 30 EJEARN CCOC(=O)/N=C(/c1ccc(Cl)cc1)c1cc2ccccc2cn1 ZINC000013467471 211560795 /nfs/dbraw/zinc/56/07/95/211560795.db2.gz KITNEJRNGKNBSF-PYCFMQQDSA-N 0 0 338.794 4.882 50 30 EJEARN N#Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003177225 206450628 /nfs/dbraw/zinc/45/06/28/206450628.db2.gz OWOINAMHJJMSKI-UHFFFAOYSA-N 0 0 331.371 4.808 50 30 EJEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)no1 ZINC000012369796 211357192 /nfs/dbraw/zinc/35/71/92/211357192.db2.gz GIVDYBGUWZWDEQ-UDWIEESQSA-N 0 0 340.766 4.576 50 30 EJEARN Cc1sc(NC(=O)CCCSc2ccccc2)c(C#N)c1C ZINC000010217859 211154625 /nfs/dbraw/zinc/15/46/25/211154625.db2.gz LKFWTSVGFDADFP-UHFFFAOYSA-N 0 0 330.478 4.748 50 30 EJEARN CCOc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccccc13)C2=O ZINC000009423199 211082744 /nfs/dbraw/zinc/08/27/44/211082744.db2.gz UMXJWAZDLVQBHI-UDWIEESQSA-N 0 0 347.414 4.985 50 30 EJEARN C=C(C)Cn1c(=O)c2c([nH]c1=S)-c1ccccc1CC21CCCC1 ZINC000009067189 211038109 /nfs/dbraw/zinc/03/81/09/211038109.db2.gz KZWIYKMCOQVVRU-UHFFFAOYSA-N 0 0 338.476 4.517 50 30 EJEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000009089986 211039271 /nfs/dbraw/zinc/03/92/71/211039271.db2.gz VACBGWNEWYEGKL-ASSNKEHSSA-N 0 0 334.419 4.527 50 30 EJEARN Fc1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000008683483 210979451 /nfs/dbraw/zinc/97/94/51/210979451.db2.gz FBXAHPUMLDZSIE-UHFFFAOYSA-N 0 0 328.334 4.742 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000008394325 210947893 /nfs/dbraw/zinc/94/78/93/210947893.db2.gz WAYLQZFPMKIURB-UHFFFAOYSA-N 0 0 334.419 4.624 50 30 EJEARN CCc1ccc([C@H](NC(=O)c2ccc(C#N)cc2)c2cccs2)cc1 ZINC000008062287 210888789 /nfs/dbraw/zinc/88/87/89/210888789.db2.gz QKNBMOVDRVQONP-FQEVSTJZSA-N 0 0 346.455 4.702 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1O ZINC000007718166 210837387 /nfs/dbraw/zinc/83/73/87/210837387.db2.gz QJMHOXPAEOONLC-FPYGCLRLSA-N 0 0 337.202 4.994 50 30 EJEARN Cc1cc(C)c(C#N)c(SCc2cc(-c3cccs3)on2)n1 ZINC000007371388 210788508 /nfs/dbraw/zinc/78/85/08/210788508.db2.gz VDDUKHPKJCPHGS-UHFFFAOYSA-N 0 0 327.434 4.579 50 30 EJEARN COc1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000006793667 210714293 /nfs/dbraw/zinc/71/42/93/210714293.db2.gz VYNRFOROLMZMIN-UHFFFAOYSA-N 0 0 327.383 4.872 50 30 EJEARN COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)cc(OC)c1OC ZINC000006549264 210650775 /nfs/dbraw/zinc/65/07/75/210650775.db2.gz GNRAEXLCGFMDGE-PKNBQFBNSA-N 0 0 348.398 4.762 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000006339086 210620600 /nfs/dbraw/zinc/62/06/00/210620600.db2.gz FYBSXHJPIKIWKF-UHFFFAOYSA-N 0 0 340.378 4.728 50 30 EJEARN Cc1c(C#N)c2nc3ccccc3n2c(O)c1Cc1ccccc1Cl ZINC000005721413 210523709 /nfs/dbraw/zinc/52/37/09/210523709.db2.gz MZUBGHOJXOVYNV-UHFFFAOYSA-N 0 0 347.805 4.617 50 30 EJEARN O=C(C=CNc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000005569369 210491928 /nfs/dbraw/zinc/49/19/28/210491928.db2.gz OPWSADIIAMDFOZ-BQYQJAHWSA-N 0 0 338.151 4.536 50 30 EJEARN Cc1ccc2cc(C=NN=c3[nH]c4ccccc4[nH]3)c(Cl)nc2c1 ZINC000005461788 210470363 /nfs/dbraw/zinc/47/03/63/210470363.db2.gz ZKRUMXFCCXBUME-KEBDBYFISA-N 0 0 335.798 4.519 50 30 EJEARN COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1OC(C)C ZINC000096930438 218901199 /nfs/dbraw/zinc/90/11/99/218901199.db2.gz UVBIKOLYSNUTQF-SREVYHEPSA-N 0 0 334.799 4.933 50 30 EJEARN C=CCN(C(=O)c1oc(C)cc1C)c1nc(-c2ccccc2)cs1 ZINC000097011974 218913692 /nfs/dbraw/zinc/91/36/92/218913692.db2.gz OBQYXBVHYQKXON-UHFFFAOYSA-N 0 0 338.432 4.853 50 30 EJEARN C/C(=N\Nc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000005171542 210406728 /nfs/dbraw/zinc/40/67/28/210406728.db2.gz RGMSVAQUTNHMBM-HYARGMPZSA-N 0 0 328.371 4.782 50 30 EJEARN C/C(=N\O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 ZINC000005092785 210388924 /nfs/dbraw/zinc/38/89/24/210388924.db2.gz BJVVVJKLCSRCEH-CIAFOILYSA-N 0 0 333.343 4.713 50 30 EJEARN Clc1ccccc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000005003827 210358270 /nfs/dbraw/zinc/35/82/70/210358270.db2.gz GHOAAQNTMSUFIF-ZVBGSRNCSA-N 0 0 342.855 4.670 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000004898548 210316038 /nfs/dbraw/zinc/31/60/38/210316038.db2.gz WWPKUGQERABLTG-JNRLGGJLSA-N 0 0 346.426 4.562 50 30 EJEARN Clc1nnc(N=NCc2cccc3ccccc32)c2ccccc12 ZINC000004857032 210303827 /nfs/dbraw/zinc/30/38/27/210303827.db2.gz KWAXYWXSEDCTCM-CIAFOILYSA-N 0 0 332.794 4.882 50 30 EJEARN C=CCSC1=N/C(=C\c2ccccc2OC2CCCC2)C(=O)S1 ZINC000004845249 210298220 /nfs/dbraw/zinc/29/82/20/210298220.db2.gz MTYGNCQZOQIMRN-QINSGFPZSA-N 0 0 345.489 4.898 50 30 EJEARN C=CCSC1=N/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)S1 ZINC000004845180 210298013 /nfs/dbraw/zinc/29/80/13/210298013.db2.gz ROWJMFVSYFVUOE-UVTDQMKNSA-N 0 0 345.420 4.975 50 30 EJEARN COc1cccc(/C=C/c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)c1 ZINC000004867801 210306608 /nfs/dbraw/zinc/30/66/08/210306608.db2.gz DUJAPEPXKWFEBN-RUMSDORHSA-N 0 0 345.402 4.898 50 30 EJEARN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000004860085 210305498 /nfs/dbraw/zinc/30/54/98/210305498.db2.gz JNOXKKJQSPDODB-YDZHTSKRSA-N 0 0 346.337 4.655 50 30 EJEARN O=[N+]([O-])c1ccc(C=NNc2nc3ccccc3c3ccccc32)cc1 ZINC000004794707 210280400 /nfs/dbraw/zinc/28/04/00/210280400.db2.gz ZWLGUDYAJSCZGN-FYJGNVAPSA-N 0 0 342.358 4.742 50 30 EJEARN CSC1=N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)S1 ZINC000004755233 210271798 /nfs/dbraw/zinc/27/17/98/210271798.db2.gz RXOKEHNSNBUMSM-WQLSENKSSA-N 0 0 335.837 4.933 50 30 EJEARN Cc1cccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2C)c1 ZINC000118173077 221129247 /nfs/dbraw/zinc/12/92/47/221129247.db2.gz FALWBDAVQUOKMR-AWEZNQCLSA-N 0 0 334.448 4.516 50 30 EJEARN Cc1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc1C ZINC000328587207 258046148 /nfs/dbraw/zinc/04/61/48/258046148.db2.gz HMGKDIBAMYUAFB-HNNXBMFYSA-N 0 0 331.419 4.681 50 30 EJEARN O=C1c2ccc(O)cc2O/C1=C\c1ccc2c(c1)Cc1ccccc1-2 ZINC000009340501 258003020 /nfs/dbraw/zinc/00/30/20/258003020.db2.gz HYJUIVZOZPDYTP-FBHDLOMBSA-N 0 0 326.351 4.580 50 30 EJEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C)cc1 ZINC000002450208 258016863 /nfs/dbraw/zinc/01/68/63/258016863.db2.gz SDXRTOFROYBSGG-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN CCCCC[C@@H](C=O)CCC(=O)c1ccc(Br)cc1 ZINC000002269434 258049455 /nfs/dbraw/zinc/04/94/55/258049455.db2.gz NLQFAVJFJNGITK-CYBMUJFWSA-N 0 0 325.246 4.807 50 30 EJEARN Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)n2C)cc1 ZINC000007131211 258052803 /nfs/dbraw/zinc/05/28/03/258052803.db2.gz GEGHVBXVAJQHPF-SFHVURJKSA-N 0 0 333.460 4.623 50 30 EJEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256438910 258073356 /nfs/dbraw/zinc/07/33/56/258073356.db2.gz JYYRDDFNMDZIIP-SPSRVBLJSA-N 0 0 328.496 4.970 50 30 EJEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256438896 258073450 /nfs/dbraw/zinc/07/34/50/258073450.db2.gz JYYRDDFNMDZIIP-KJQZXYBGSA-N 0 0 328.496 4.970 50 30 EJEARN CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257359377 262540735 /nfs/dbraw/zinc/54/07/35/262540735.db2.gz ZWROBJVXVCFTAR-YRWKUUEZSA-N 0 0 333.516 4.856 50 30 EJEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2ncsc2c1 ZINC000008230536 518779774 /nfs/dbraw/zinc/77/97/74/518779774.db2.gz YUUVBCQSMAITLD-UHFFFAOYSA-N 0 0 348.880 4.840 50 30 EJEARN C=CCc1ccc(OCCCOc2cc(C)cc(C)c2)c(OC)c1 ZINC000002983806 519135222 /nfs/dbraw/zinc/13/52/22/519135222.db2.gz QOPAPGDHSJDSFV-UHFFFAOYSA-N 0 0 326.436 4.888 50 30 EJEARN CC(C)(CCC#N)CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000095428895 519202050 /nfs/dbraw/zinc/20/20/50/519202050.db2.gz QXKQVGFTSTZWSA-UHFFFAOYSA-N 0 0 342.487 4.836 50 30 EJEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=N\O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000252694553 519757548 /nfs/dbraw/zinc/75/75/48/519757548.db2.gz MAIMKJVHBJVMBS-YYKITLIMSA-N 0 0 347.499 4.791 50 30 biogenic EJEARN CCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 ZINC000100838913 520005747 /nfs/dbraw/zinc/00/57/47/520005747.db2.gz UDWUIJXUMODKHQ-SFHVURJKSA-N 0 0 332.550 4.891 50 30 EJEARN CCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 ZINC000100838911 520005805 /nfs/dbraw/zinc/00/58/05/520005805.db2.gz UDWUIJXUMODKHQ-GOSISDBHSA-N 0 0 332.550 4.891 50 30 EJEARN CCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000003067436 520016483 /nfs/dbraw/zinc/01/64/83/520016483.db2.gz WPECLVIIPOSPQJ-UHFFFAOYSA-N 0 0 325.518 4.804 50 30 EJEARN CCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002088310 520027307 /nfs/dbraw/zinc/02/73/07/520027307.db2.gz KCFGDMDBACYWHO-UHFFFAOYSA-N 0 0 326.824 4.729 50 30 EJEARN CCCCCCCCC[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000003115088 520030270 /nfs/dbraw/zinc/03/02/70/520030270.db2.gz CXNATEZOVVRARQ-RBUKOAKNSA-N 0 0 342.483 4.949 50 30 biogenic EJEARN CCCOC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000002131697 520222597 /nfs/dbraw/zinc/22/25/97/520222597.db2.gz BHHYIJUWASGBAT-HYARGMPZSA-N 0 0 333.387 4.863 50 30 EJEARN CCOc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1O ZINC000005006628 520637627 /nfs/dbraw/zinc/63/76/27/520637627.db2.gz ZXHALRKJDTWTDF-CJLVFECKSA-N 0 0 332.403 4.963 50 30 EJEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000096766662 521937658 /nfs/dbraw/zinc/93/76/58/521937658.db2.gz SLYNTXGXVKRYGI-XGICHPGQSA-N 0 0 346.382 4.531 50 30 EJEARN COc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004322756 523536861 /nfs/dbraw/zinc/53/68/61/523536861.db2.gz SUJSOVORBQZNIZ-PGMHBOJBSA-N 0 0 342.394 4.844 50 30 EJEARN Cc1ccc(-c2csc([N-][NH+]=Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000004980205 525781979 /nfs/dbraw/zinc/78/19/79/525781979.db2.gz UCUIKXYYEKJPII-UDWIEESQSA-N 0 0 336.464 4.631 50 30 EJEARN Cc1ccc(C(=O)O/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000006211607 526237294 /nfs/dbraw/zinc/23/72/94/526237294.db2.gz FXHPNUWWNSYYRZ-HZHRSRAPSA-N 0 0 345.398 4.765 50 30 EJEARN c1ccc(CC(Cc2ccccc2)N=Nc2nc3ccccc3[nH]2)cc1 ZINC000005695473 526464003 /nfs/dbraw/zinc/46/40/03/526464003.db2.gz AQKKLMQDWZVIFE-UHFFFAOYSA-N 0 0 340.430 4.816 50 30 EJEARN Cc1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1 ZINC000004791653 526627596 /nfs/dbraw/zinc/62/75/96/526627596.db2.gz MIGVENDEEPILJT-VAWYXSNFSA-N 0 0 335.428 4.927 50 30 EJEARN Cc1ncsc1C(=O)/C=C\c1ccccc1OCc1ccccc1 ZINC000096307343 527475317 /nfs/dbraw/zinc/47/53/17/527475317.db2.gz HMAYSGXTVFFARW-QXMHVHEDSA-N 0 0 335.428 4.927 50 30 EJEARN O=C(/C=C/c1ccccc1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000004118214 527634195 /nfs/dbraw/zinc/63/41/95/527634195.db2.gz TZIUNXZEHSPLNS-MDWZMJQESA-N 0 0 334.396 4.863 50 30 EJEARN CCCc1cc(N2C[C@H](C)C[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000000409558 535400666 /nfs/dbraw/zinc/40/06/66/535400666.db2.gz KXPXSOMNNSWCML-HZPDHXFCSA-N 0 0 346.478 4.794 50 30 EJEARN CSc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000000035142 563211937 /nfs/dbraw/zinc/21/19/37/563211937.db2.gz RQCBDWAZYPALQW-UHFFFAOYSA-N 0 0 340.444 4.537 50 30 EJEARN Cc1c(Br)sc2sc(C(=O)/C=C/N(C)C)c(C)c12 ZINC000000126212 563236566 /nfs/dbraw/zinc/23/65/66/563236566.db2.gz GUYPDRCNEUSPTM-AATRIKPKSA-N 0 0 344.299 4.600 50 30 EJEARN FC(F)(F)c1cccc(NC(=S)NN=C2CCCCCC2)c1 ZINC000000167806 563249930 /nfs/dbraw/zinc/24/99/30/563249930.db2.gz OWIGYIAELLSLGF-UHFFFAOYSA-N 0 0 329.391 4.702 50 30 EJEARN O=C(C=CNc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000000220361 563262280 /nfs/dbraw/zinc/26/22/80/563262280.db2.gz GPZGFUUSEMQRAV-CMDGGOBGSA-N 0 0 336.616 4.911 50 30 EJEARN COc1cc(OC)c(/C=N/c2cc(C)ccc2C)cc1Br ZINC000000261162 563268020 /nfs/dbraw/zinc/26/80/20/563268020.db2.gz CGOBHFZWVBJQNS-VXLYETTFSA-N 0 0 348.240 4.834 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000000300261 563275684 /nfs/dbraw/zinc/27/56/84/563275684.db2.gz WWPKUGQERABLTG-BJPRZXBISA-N 0 0 346.426 4.562 50 30 EJEARN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1C ZINC000000304400 563277457 /nfs/dbraw/zinc/27/74/57/563277457.db2.gz QGLPNZUFXQPINM-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)CC2 ZINC000000439602 563313522 /nfs/dbraw/zinc/31/35/22/563313522.db2.gz XJPZKENTSBNCKW-GXDHUFHOSA-N 0 0 343.220 4.670 50 30 EJEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1cccc2ccccc21 ZINC000000446865 563317721 /nfs/dbraw/zinc/31/77/21/563317721.db2.gz YIVHZJRDQSYOFT-UHFFFAOYSA-N 0 0 341.410 4.851 50 30 EJEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001296472 563382737 /nfs/dbraw/zinc/38/27/37/563382737.db2.gz MHTFXBSJIFVYSG-NRFANRHFSA-N 0 0 348.446 4.917 50 30 EJEARN N#CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002063369 563420957 /nfs/dbraw/zinc/42/09/57/563420957.db2.gz KZJLZCJASKMTTF-UHFFFAOYSA-N 0 0 327.412 4.903 50 30 EJEARN COc1cc2nc(/N=C/c3ccc(Cl)cc3)sc2cc1OC ZINC000002546417 563440555 /nfs/dbraw/zinc/44/05/55/563440555.db2.gz PFJUJQOORRBCGB-GIJQJNRQSA-N 0 0 332.812 4.718 50 30 EJEARN CCc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000004595549 563505761 /nfs/dbraw/zinc/50/57/61/563505761.db2.gz JVFQEGCSJSUPJC-BUVRLJJBSA-N 0 0 330.435 4.851 50 30 EJEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000005024454 563519393 /nfs/dbraw/zinc/51/93/93/563519393.db2.gz FIYGFFSVRLDJJJ-KGENOOAVSA-N 0 0 348.277 4.540 50 30 EJEARN CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000005188083 563522458 /nfs/dbraw/zinc/52/24/58/563522458.db2.gz UPAQTJKMVHFALB-QGZVFWFLSA-N 0 0 348.446 4.724 50 30 EJEARN O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccccc23)c(C(F)(F)F)c1 ZINC000005948753 563555477 /nfs/dbraw/zinc/55/54/77/563555477.db2.gz SMVZHISYSBSXRO-ZVBGSRNCSA-N 0 0 348.284 4.541 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000006492570 563569879 /nfs/dbraw/zinc/56/98/79/563569879.db2.gz QWYHAVMXWJFXFA-ZHACJKMWSA-N 0 0 334.188 4.787 50 30 EJEARN COC(=O)c1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000002897005 563619715 /nfs/dbraw/zinc/61/97/15/563619715.db2.gz QOHZYGHMLBSOBW-JJIBRWJFSA-N 0 0 339.394 4.624 50 30 EJEARN O=C(/C=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccccc1 ZINC000012959504 563679026 /nfs/dbraw/zinc/67/90/26/563679026.db2.gz JGWUANPEPDUDHO-RAXLEYEMSA-N 0 0 334.396 4.863 50 30 EJEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccco1 ZINC000013399911 563697338 /nfs/dbraw/zinc/69/73/38/563697338.db2.gz GYWGTURAIFZCGC-PDGQHHTCSA-N 0 0 348.379 4.828 50 30 EJEARN O=C(C=C(Nc1ccccc1)c1ccc(Cl)cc1)C(F)(F)F ZINC000013400950 563697396 /nfs/dbraw/zinc/69/73/96/563697396.db2.gz MDAZDCQKIDHFBR-UVTDQMKNSA-N 0 0 325.717 4.924 50 30 EJEARN Cc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 ZINC000013548752 563701087 /nfs/dbraw/zinc/70/10/87/563701087.db2.gz XNVBSLMNMDEIHN-XNTDXEJSSA-N 0 0 328.824 4.540 50 30 EJEARN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000004535951 563760016 /nfs/dbraw/zinc/76/00/16/563760016.db2.gz KEBPOUMCRXRPCR-CAOOACKPSA-N 0 0 329.303 4.511 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(C)C ZINC000015107696 563778398 /nfs/dbraw/zinc/77/83/98/563778398.db2.gz VGKZDJLRQAFVBK-VZUCSPMQSA-N 0 0 328.383 4.908 50 30 EJEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 ZINC000018006826 563847128 /nfs/dbraw/zinc/84/71/28/563847128.db2.gz YYJXHDLLOKULQF-AWEZNQCLSA-N 0 0 327.811 4.791 50 30 EJEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000018180380 563850658 /nfs/dbraw/zinc/85/06/58/563850658.db2.gz CHHFWTGIFLCCID-OAQYLSRUSA-N 0 0 348.446 4.917 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1O ZINC000018244269 563851690 /nfs/dbraw/zinc/85/16/90/563851690.db2.gz FWSZIEMHBVKSDD-HXUWFJFHSA-N 0 0 334.419 4.614 50 30 EJEARN Cc1csc(N(C(=O)CCc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000024691998 563874229 /nfs/dbraw/zinc/87/42/29/563874229.db2.gz FYRACBLTUBZXLV-UHFFFAOYSA-N 0 0 347.443 4.621 50 30 EJEARN Oc1ccc(Br)cc1/C=N/c1cccc(Cl)c1F ZINC000044835849 563926688 /nfs/dbraw/zinc/92/66/88/563926688.db2.gz VOUULZSTVSLPKY-REZTVBANSA-N 0 0 328.568 4.698 50 30 EJEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)c1nc2ccccc2s1 ZINC000058293368 563941866 /nfs/dbraw/zinc/94/18/66/563941866.db2.gz ZSFHGIMOSRQTKJ-OAHLLOKOSA-N 0 0 343.411 4.695 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(C)c(Br)c2)cc1 ZINC000004662862 563963524 /nfs/dbraw/zinc/96/35/24/563963524.db2.gz MZGUXROWTDQTIP-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)C1CCN2CC1 ZINC000004708052 563964754 /nfs/dbraw/zinc/96/47/54/563964754.db2.gz YDIQOOKRSFTDRO-UHFFFAOYSA-N 0 0 341.867 4.596 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(C)c1 ZINC000097104985 563967617 /nfs/dbraw/zinc/96/76/17/563967617.db2.gz FBTRBADUTASPPS-IFMALSPDSA-N 0 0 348.442 4.623 50 30 EJEARN N#Cc1c(NC(=O)/C=C\c2cccs2)sc2c1CCCCCC2 ZINC000033318482 563973669 /nfs/dbraw/zinc/97/36/69/563973669.db2.gz SESNHDVPEIKYQU-KTKRTIGZSA-N 0 0 342.489 4.992 50 30 EJEARN CC1(C)CC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccccn2)C(=O)C1 ZINC000000072008 563974386 /nfs/dbraw/zinc/97/43/86/563974386.db2.gz AUPZEDIZUFRANO-HXUWFJFHSA-N 0 0 346.430 4.896 50 30 EJEARN CCCCCCCCONC(=O)Nc1ccc(Br)cc1 ZINC000097950832 563982116 /nfs/dbraw/zinc/98/21/16/563982116.db2.gz MGIYELIOZJJDDZ-UHFFFAOYSA-N 0 0 343.265 4.863 50 30 EJEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(F)cc1)c1ccccc1 ZINC000100412465 563982599 /nfs/dbraw/zinc/98/25/99/563982599.db2.gz IENDWHCBHFUQEK-GFMRDNFCSA-N 0 0 343.357 4.642 50 30 EJEARN CCCCCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000100700885 563982708 /nfs/dbraw/zinc/98/27/08/563982708.db2.gz JDFQESJSEKBBIL-UHFFFAOYSA-N 0 0 325.518 4.886 50 30 EJEARN O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 ZINC000000109688 563986556 /nfs/dbraw/zinc/98/65/56/563986556.db2.gz RTPSHVGPBLTBLA-HXUWFJFHSA-N 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CC(C)(C)C(=O)Cc1nc2ccccc2nc1CC(=O)C(C)(C)C ZINC000102882477 564020900 /nfs/dbraw/zinc/02/09/00/564020900.db2.gz HUMLFMNDECZUCY-UKVBVZPVSA-N 0 0 326.440 4.522 50 30 EJEARN COc1ccc(-n2cnc3cc(/N=C/c4cccs4)ccc32)cc1 ZINC000000522861 564021136 /nfs/dbraw/zinc/02/11/36/564021136.db2.gz RPPNKAGUDXEKLF-UDWIEESQSA-N 0 0 333.416 4.846 50 30 EJEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1 ZINC000000535837 564022103 /nfs/dbraw/zinc/02/21/03/564022103.db2.gz SYEZDYUELVTJSF-UHFFFAOYSA-N 0 0 332.407 4.518 50 30 EJEARN O=c1ccc2c([nH]1)CCC[C@H]2/N=C\c1sc2ccccc2c1Cl ZINC000104007720 564023648 /nfs/dbraw/zinc/02/36/48/564023648.db2.gz RCFURXBWPZQGSG-CFFVULROSA-N 0 0 342.851 4.740 50 30 EJEARN COc1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000104264236 564023808 /nfs/dbraw/zinc/02/38/08/564023808.db2.gz ZIAUYCKZSSLION-BENRWUELSA-N 0 0 331.799 4.556 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2cc(F)cc(F)c2)cc1 ZINC000051318541 564024504 /nfs/dbraw/zinc/02/45/04/564024504.db2.gz BITSMVDHGCYPHR-CMDGGOBGSA-N 0 0 331.362 4.952 50 30 EJEARN N#C[C@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2c1ccccc1O ZINC000004728590 564025158 /nfs/dbraw/zinc/02/51/58/564025158.db2.gz NYPAPXFYOSDURV-DEPWHIHDSA-N 0 0 335.451 4.507 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OC)c(F)c2)cc1 ZINC000044843332 564027432 /nfs/dbraw/zinc/02/74/32/564027432.db2.gz QEHBBJZLFBPBME-VAWYXSNFSA-N 0 0 343.398 4.822 50 30 EJEARN C=CCOc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002934175 564043726 /nfs/dbraw/zinc/04/37/26/564043726.db2.gz AHFHPEGZTSYMQY-UHFFFAOYSA-N 0 0 341.208 4.624 50 30 EJEARN COc1ccc(-n2c(C)cc3c2CCCC3=NNc2ccccc2)cc1 ZINC000005798772 564052234 /nfs/dbraw/zinc/05/22/34/564052234.db2.gz HFLHYERRPUGZFY-DARPEHSRSA-N 0 0 345.446 4.947 50 30 EJEARN N#Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000086014435 564053064 /nfs/dbraw/zinc/05/30/64/564053064.db2.gz SMYGNDZAWDSFSD-UHFFFAOYSA-N 0 0 340.382 4.919 50 30 EJEARN Cc1cccc(C)c1NC(=O)CN(C)Cc1coc(-c2ccccc2)n1 ZINC000082049921 564056108 /nfs/dbraw/zinc/05/61/08/564056108.db2.gz 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ZINC000254403860 564076557 /nfs/dbraw/zinc/07/65/57/564076557.db2.gz QQRLQNNABICPKV-UHFFFAOYSA-N 0 0 341.579 4.695 50 30 EJEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257346329 564076567 /nfs/dbraw/zinc/07/65/67/564076567.db2.gz YJSXWOYIDNPTIW-AWHJNORDSA-N 0 0 344.495 4.808 50 30 EJEARN C=C(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](O)c1ccc(C)cc1 ZINC000000333831 564082575 /nfs/dbraw/zinc/08/25/75/564082575.db2.gz WNLJAJJUYGFZIA-XWPNQZOQSA-N 0 0 330.468 4.589 50 30 EJEARN Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000006254885 564083269 /nfs/dbraw/zinc/08/32/69/564083269.db2.gz ZPXMCRYKNSQAGE-UHFFFAOYSA-N 0 0 325.220 4.796 50 30 EJEARN C=CCC1(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CCC1 ZINC000190745317 564084114 /nfs/dbraw/zinc/08/41/14/564084114.db2.gz IDDHYMICVZMUDK-UHFFFAOYSA-N 0 0 338.451 4.589 50 30 EJEARN Cc1ccc(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c(C)c1 ZINC000016031532 564085601 /nfs/dbraw/zinc/08/56/01/564085601.db2.gz HXXGOMGHSYVZLX-PKNBQFBNSA-N 0 0 343.430 4.824 50 30 EJEARN CCN(C(=O)c1ccc(N=Cc2ccccc2O)cc1)c1ccccc1 ZINC000252614697 564086959 /nfs/dbraw/zinc/08/69/59/564086959.db2.gz JMEKBJYLXDLGMN-UHFFFAOYSA-N 0 0 344.414 4.810 50 30 EJEARN Clc1ccc(N2CCN(N=Cc3cccc4ccccc34)CC2)cc1 ZINC000238937265 564087985 /nfs/dbraw/zinc/08/79/85/564087985.db2.gz UUVMUEFUTNKDEB-UHFFFAOYSA-N 0 0 349.865 4.649 50 30 EJEARN N#Cc1ccc(CSc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000006476077 564089670 /nfs/dbraw/zinc/08/96/70/564089670.db2.gz CYQWKHCFVQQLIU-UHFFFAOYSA-N 0 0 341.486 4.827 50 30 EJEARN N#CCCSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000006508341 564091185 /nfs/dbraw/zinc/09/11/85/564091185.db2.gz ZULHFIRFMADOBY-UHFFFAOYSA-N 0 0 330.432 4.595 50 30 EJEARN c1ccc2c(c1)cc1ccccc1c2CN=Nc1ncnc2ccccc21 ZINC000238950598 564105749 /nfs/dbraw/zinc/10/57/49/564105749.db2.gz YVWSJOKPMLZWBC-UHFFFAOYSA-N 0 0 348.409 5.382 50 30 EJEARN N#Cc1ccccc1OC(=O)CC(c1ccccc1)c1ccccc1 ZINC000007310448 564106681 /nfs/dbraw/zinc/10/66/81/564106681.db2.gz DQCIHBCCQFAHME-UHFFFAOYSA-N 0 0 327.383 4.686 50 30 EJEARN CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000170600058 564109271 /nfs/dbraw/zinc/10/92/71/564109271.db2.gz XYXCUHCPGLKTRH-OAQYLSRUSA-N 0 0 347.462 4.524 50 30 EJEARN CN(C)c1ccc(/C=C2\CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000017024294 564116125 /nfs/dbraw/zinc/11/61/25/564116125.db2.gz GPXHIYXWGUYGHF-VBGLAJCLSA-N 0 0 346.474 4.649 50 30 EJEARN CC(C)(C)c1ccc(-c2oc3ccccc3c(=O)c2OCC#N)cc1 ZINC000001978411 564116887 /nfs/dbraw/zinc/11/68/87/564116887.db2.gz YRKSSYNPYUTKRZ-UHFFFAOYSA-N 0 0 333.387 4.660 50 30 biogenic,in-vitro EJEARN N#CC1(CCCSc2ncc(-c3ccc(F)cc3)o2)CCOCC1 ZINC000252508874 564119987 /nfs/dbraw/zinc/11/99/87/564119987.db2.gz XWMBBZAVDNCFEY-UHFFFAOYSA-N 0 0 346.427 4.673 50 30 EJEARN N#Cc1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000225658313 564120642 /nfs/dbraw/zinc/12/06/42/564120642.db2.gz BOICZEFDPGLVRU-SFHVURJKSA-N 0 0 338.838 4.622 50 30 EJEARN Cc1ccc([N+](=O)[O-])cc1N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000252592245 564120971 /nfs/dbraw/zinc/12/09/71/564120971.db2.gz BEAQFEMKEUFOIU-AFZOMRFVSA-N 0 0 335.407 4.917 50 30 EJEARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C#N)c1 ZINC000007688100 564121938 /nfs/dbraw/zinc/12/19/38/564121938.db2.gz FHACHLQUDYXDPX-UHFFFAOYSA-N 0 0 348.324 4.618 50 30 EJEARN Cc1ccc(N=C2S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1C ZINC000252614420 564122002 /nfs/dbraw/zinc/12/20/02/564122002.db2.gz JIZHFUJUJKQBCG-XADZQOGUSA-N 0 0 340.423 4.676 50 30 EJEARN Cc1cc(C)c(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1C ZINC000007756361 564122678 /nfs/dbraw/zinc/12/26/78/564122678.db2.gz RUDSMNLMQHPYHC-UHFFFAOYSA-N 0 0 347.443 4.859 50 30 EJEARN CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000252634209 564124503 /nfs/dbraw/zinc/12/45/03/564124503.db2.gz WLBLEQMUQVQENT-UHFFFAOYSA-N 0 0 329.406 4.677 50 30 EJEARN C[C@@H](CCC#N)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 ZINC000253416142 564130726 /nfs/dbraw/zinc/13/07/26/564130726.db2.gz XOFHXHMRTYQOKQ-LBPRGKRZSA-N 0 0 337.452 4.546 50 30 EJEARN C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 ZINC000002346373 564132505 /nfs/dbraw/zinc/13/25/05/564132505.db2.gz VRBACAGUBDCXMU-UHFFFAOYSA-N 0 0 346.521 4.730 50 30 EJEARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498871 564132750 /nfs/dbraw/zinc/13/27/50/564132750.db2.gz AGUNEISBPXQOPA-TVWSYJQDSA-N 0 0 334.887 4.612 50 30 biogenic EJEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCC2)c1CCC(C)C ZINC000000085765 564132791 /nfs/dbraw/zinc/13/27/91/564132791.db2.gz IBTXLFHYEDAFQA-UHFFFAOYSA-N 0 0 346.478 4.856 50 30 EJEARN Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)cc1 ZINC000000135287 564132892 /nfs/dbraw/zinc/13/28/92/564132892.db2.gz CORYUDHTPTWHFX-UHFFFAOYSA-N 0 0 338.414 4.900 50 30 EJEARN CCOc1ccc(OC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000000338831 564133124 /nfs/dbraw/zinc/13/31/24/564133124.db2.gz NVFVJBXVWNDTOM-UHFFFAOYSA-N 0 0 343.382 4.843 50 30 EJEARN Cc1cc(C#N)c(-c2ccc(C(=O)N3CCCCCCC3)cc2)nc1C ZINC000534578697 564135985 /nfs/dbraw/zinc/13/59/85/564135985.db2.gz LQBMFHRIMQBCQJ-UHFFFAOYSA-N 0 0 347.462 4.643 50 30 EJEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)C(C)C ZINC000328591541 564136751 /nfs/dbraw/zinc/13/67/51/564136751.db2.gz YZZMVEPKZCCJKW-QRWLVFNGSA-N 0 0 326.440 4.742 50 30 EJEARN C[C@H]1c2ccccc2C=C1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000328592705 564136769 /nfs/dbraw/zinc/13/67/69/564136769.db2.gz BRKZLRYUXJBAQZ-HNNXBMFYSA-N 0 0 329.403 4.530 50 30 EJEARN O=C1O[C@@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc21 ZINC000390834848 564138982 /nfs/dbraw/zinc/13/89/82/564138982.db2.gz HZWYPNBWFSCAAH-YWDBVWQESA-N 0 0 342.398 4.805 50 30 EJEARN N#CCCSc1ccccc1NC(=O)CSc1ccc(F)cc1 ZINC000095953560 564142422 /nfs/dbraw/zinc/14/24/22/564142422.db2.gz XXGKCFGNOGKVSO-UHFFFAOYSA-N 0 0 346.452 4.562 50 30 EJEARN CCc1c(C)sc(NC(=O)c2csc3c2CCCC3)c1C#N ZINC000028225791 564150744 /nfs/dbraw/zinc/15/07/44/564150744.db2.gz CUTFAGSTKVXBDU-UHFFFAOYSA-N 0 0 330.478 4.683 50 30 EJEARN C[C@H](C#N)Sc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1 ZINC000002635956 564151565 /nfs/dbraw/zinc/15/15/65/564151565.db2.gz UHDVUANCZBPMIB-ZCFIWIBFSA-N 0 0 348.305 4.974 50 30 EJEARN N#Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(F)c1 ZINC000057604263 564155116 /nfs/dbraw/zinc/15/51/16/564155116.db2.gz IJFMHFCIEVICPI-QGZVFWFLSA-N 0 0 337.423 4.644 50 30 EJEARN N#Cc1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCC2 ZINC000003221725 564156196 /nfs/dbraw/zinc/15/61/96/564156196.db2.gz IQNIEFOBORIYSB-UHFFFAOYSA-N 0 0 337.231 4.668 50 30 EJEARN C=CCn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000003249557 564156587 /nfs/dbraw/zinc/15/65/87/564156587.db2.gz MAUVDCJSLURPBO-UHFFFAOYSA-N 0 0 342.851 4.528 50 30 EJEARN Cc1c(C#N)c2ccccn2c1C(=O)c1ccc(Cl)cc1Cl ZINC000003260289 564156722 /nfs/dbraw/zinc/15/67/22/564156722.db2.gz ADWDPNGJMMOLJO-UHFFFAOYSA-N 0 0 329.186 4.657 50 30 EJEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1Cl ZINC000058701118 564159547 /nfs/dbraw/zinc/15/95/47/564159547.db2.gz JDKFJOOGAXQLAX-UHFFFAOYSA-N 0 0 347.245 4.917 50 30 EJEARN CO/N=C/[C@@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl ZINC000004090745 564160487 /nfs/dbraw/zinc/16/04/87/564160487.db2.gz QTVDLRBSCYWXBA-YIFSTYHKSA-N 0 0 334.750 4.579 50 30 EJEARN C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000263422354 564161642 /nfs/dbraw/zinc/16/16/42/564161642.db2.gz PGGWVVHPTSNDCJ-ULUNDTCASA-N 0 0 348.446 4.519 50 30 EJEARN CCCCCCCCNc1nc(Cl)nc(NCc2ccco2)n1 ZINC000008426539 564165207 /nfs/dbraw/zinc/16/52/07/564165207.db2.gz ZPLCZWCJNKXDMT-UHFFFAOYSA-N 0 0 337.855 4.503 50 30 EJEARN N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1ccccn1 ZINC000008436770 564165303 /nfs/dbraw/zinc/16/53/03/564165303.db2.gz NYPVJUDSQUTPCD-UHFFFAOYSA-N 0 0 335.354 4.537 50 30 EJEARN COc1ccccc1/C=C/c1nc(C#N)c(N[C@H](C)c2ccccc2)o1 ZINC000008535360 564165618 /nfs/dbraw/zinc/16/56/18/564165618.db2.gz QIABOEBQGDPUSK-RDRICISKSA-N 0 0 345.402 4.898 50 30 EJEARN C#CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000008570390 564165732 /nfs/dbraw/zinc/16/57/32/564165732.db2.gz MGWXGEDHNLDWRP-UHFFFAOYSA-N 0 0 327.383 4.618 50 30 EJEARN CC(N=NC(=S)NCc1ccccc1)c1ccc2ccccc2c1 ZINC000008774469 564167368 /nfs/dbraw/zinc/16/73/68/564167368.db2.gz IOCCMLDPNDBVDE-PXLXIMEGSA-N 0 0 333.460 4.639 50 30 EJEARN N#CCCSc1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000069589849 564170755 /nfs/dbraw/zinc/17/07/55/564170755.db2.gz VDGWCLHVFADONZ-UHFFFAOYSA-N 0 0 349.415 4.600 50 30 EJEARN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)cc1 ZINC000004739375 210265433 /nfs/dbraw/zinc/26/54/33/210265433.db2.gz IGUIOSAHSWBTMI-FYJGNVAPSA-N 0 0 348.406 4.757 50 30 EJEARN C=C(C)COc1cccc(C(=O)N[C@H](CC(C)C)c2cccnc2)c1 ZINC000055053667 214267851 /nfs/dbraw/zinc/26/78/51/214267851.db2.gz CZWAZYHSENGSDW-HXUWFJFHSA-N 0 0 338.451 4.554 50 30 EJEARN O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1 ZINC000004695795 210250393 /nfs/dbraw/zinc/25/03/93/210250393.db2.gz DVZIOCNFAKCQMB-JXMROGBWSA-N 0 0 326.193 4.827 50 30 EJEARN N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000004676555 210245137 /nfs/dbraw/zinc/24/51/37/210245137.db2.gz CIQCFNQSVWOWAT-UHFFFAOYSA-N 0 0 325.582 4.771 50 30 EJEARN N#Cc1ccc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc1 ZINC000058161773 214487829 /nfs/dbraw/zinc/48/78/29/214487829.db2.gz FHSCIFIUZJFQNC-SFQUDFHCSA-N 0 0 342.423 4.894 50 30 EJEARN CC[C@@H](C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000004655913 210238952 /nfs/dbraw/zinc/23/89/52/210238952.db2.gz JVXPVMVIJAAOBZ-GFCCVEGCSA-N 0 0 340.806 4.980 50 30 EJEARN CSc1nc2c(c(-c3cccs3)c1C#N)-c1ccccc1C2=O ZINC000004648835 210236822 /nfs/dbraw/zinc/23/68/22/210236822.db2.gz OEXJFADEPNJFSM-UHFFFAOYSA-N 0 0 334.425 4.615 50 30 EJEARN CN(C)c1ccc(N=C2C=CC(=Nc3ccc(N(C)C)cc3)C=C2)cc1 ZINC000004624149 210234097 /nfs/dbraw/zinc/23/40/97/210234097.db2.gz UMHUKMDUAKPMRT-UHFFFAOYSA-N 0 0 344.462 4.790 50 30 EJEARN CC(C)(C)c1csc(N=NCc2ccccc2C(F)(F)F)n1 ZINC000004616567 210232411 /nfs/dbraw/zinc/23/24/11/210232411.db2.gz WYOWYARTLWNUPX-UFWORHAWSA-N 0 0 327.375 4.905 50 30 EJEARN CCCCCCCc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000098045237 219073169 /nfs/dbraw/zinc/07/31/69/219073169.db2.gz JAVHFUUYSXSBFJ-UHFFFAOYSA-N 0 0 337.876 4.957 50 30 EJEARN COc1cccc(/C=C2\CCC/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000004611876 210231913 /nfs/dbraw/zinc/23/19/13/210231913.db2.gz QZHAPKOWNOKGFV-KLCVKJMQSA-N 0 0 334.415 4.924 50 30 EJEARN CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000004547641 210219730 /nfs/dbraw/zinc/21/97/30/210219730.db2.gz GPXHIYXWGUYGHF-MXWIWYRXSA-N 0 0 346.474 4.649 50 30 EJEARN CSc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000004517621 210211612 /nfs/dbraw/zinc/21/16/12/210211612.db2.gz VYASCRIOZLMINV-NSHDSACASA-N 0 0 342.489 4.719 50 30 EJEARN O=C1c2ccccc2S/C1=C\c1ccc(N2CCC(Cl)=N2)cc1 ZINC000004503137 210207027 /nfs/dbraw/zinc/20/70/27/210207027.db2.gz OHGFACCKPZCZCO-WJDWOHSUSA-N 0 0 340.835 4.779 50 30 EJEARN O=C1c2ccccc2C(Nc2cccc([N+](=O)[O-])c2)=C1c1ccccc1 ZINC000100682286 219104531 /nfs/dbraw/zinc/10/45/31/219104531.db2.gz XBIBXZGGSXVBQK-UHFFFAOYSA-N 0 0 342.354 4.772 50 30 EJEARN O=C(C=CNc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000100661894 219104534 /nfs/dbraw/zinc/10/45/34/219104534.db2.gz OPWSADIIAMDFOZ-FPLPWBNLSA-N 0 0 338.151 4.536 50 30 EJEARN COc1ccc(CSc2nc(C)cc(-c3cccnc3)c2C#N)cc1 ZINC000004451187 210193385 /nfs/dbraw/zinc/19/33/85/210193385.db2.gz COYWAPUFVONPLP-UHFFFAOYSA-N 0 0 347.443 4.625 50 30 EJEARN CN(/N=C/c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000004389853 210186238 /nfs/dbraw/zinc/18/62/38/210186238.db2.gz BUYCPZZYZZHEIP-QPSGOUHRSA-N 0 0 348.155 4.878 50 30 EJEARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000004216893 210144861 /nfs/dbraw/zinc/14/48/61/210144861.db2.gz PGAUJQOPTMSERF-QWQRBHLCSA-N 0 0 344.495 4.696 50 30 in-man EJEARN N#Cc1ccc(F)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000011318183 201807866 /nfs/dbraw/zinc/80/78/66/201807866.db2.gz GWGAYCWUGIVVCF-UHFFFAOYSA-N 0 0 345.786 4.693 50 30 EJEARN CCCc1ccc(O)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000004132716 210127623 /nfs/dbraw/zinc/12/76/23/210127623.db2.gz ONAVHMLUYSFFAE-VCHYOVAHSA-N 0 0 334.213 4.563 50 30 EJEARN CN1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 ZINC000012416635 201846330 /nfs/dbraw/zinc/84/63/30/201846330.db2.gz UZMNXCUMVFUXQA-DCVUGOMRSA-N 0 0 341.454 4.781 50 30 EJEARN COc1ccc(CN=C2Nc3ccccc3NC23CCCCC3)cc1 ZINC000046152931 213787508 /nfs/dbraw/zinc/78/75/08/213787508.db2.gz HOJKEJXWIRFDPU-UHFFFAOYSA-N 0 0 335.451 4.834 50 30 biogenic EJEARN FC(F)(F)c1cc(Cl)c(NN=Cc2ccccn2)c(Cl)c1 ZINC000066088690 215008440 /nfs/dbraw/zinc/00/84/40/215008440.db2.gz NFSCCGVTVFTSLG-IFRROFPPSA-N 0 0 334.128 4.853 50 30 EJEARN Cc1ccc2cc(/C=C/C(=O)c3nc4ccccc4[nH]3)c(Cl)nc2c1 ZINC000003899381 210087888 /nfs/dbraw/zinc/08/78/88/210087888.db2.gz REANGWGYVSZZBU-CMDGGOBGSA-N 0 0 347.805 4.969 50 30 EJEARN C=CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 ZINC000003893677 210085518 /nfs/dbraw/zinc/08/55/18/210085518.db2.gz OUFUZKAKNZOREC-FMIVXFBMSA-N 0 0 338.407 4.807 50 30 EJEARN CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000003894601 210084590 /nfs/dbraw/zinc/08/45/90/210084590.db2.gz HOKCULKDZLIAMP-NTEUORMPSA-N 0 0 335.403 4.746 50 30 biogenic EJEARN CCc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000044974986 213696407 /nfs/dbraw/zinc/69/64/07/213696407.db2.gz MNYQQGIHFACOKU-VAWYXSNFSA-N 0 0 330.225 4.820 50 30 EJEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@H]1c1ccc(F)cc1 ZINC000102531897 219209192 /nfs/dbraw/zinc/20/91/92/219209192.db2.gz LVJJOUWNELMEMX-SFHVURJKSA-N 0 0 333.362 4.558 50 30 EJEARN N#Cc1c(NC(=O)OCc2ccccc2)sc2c1CCCCC2 ZINC000003306524 210002985 /nfs/dbraw/zinc/00/29/85/210002985.db2.gz SZIDTYXCKKJQIY-UHFFFAOYSA-N 0 0 326.421 4.637 50 30 EJEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1 ZINC000016025436 201970455 /nfs/dbraw/zinc/97/04/55/201970455.db2.gz SXTPIDOLZKBNMJ-UHFFFAOYSA-N 0 0 344.439 4.639 50 30 EJEARN C=CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002837888 209925905 /nfs/dbraw/zinc/92/59/05/209925905.db2.gz ZOMFHQNYMCKADY-UHFFFAOYSA-N 0 0 327.840 4.866 50 30 EJEARN O=C(NCc1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000002816149 209921690 /nfs/dbraw/zinc/92/16/90/209921690.db2.gz SWPBOYWILWZPNP-UHFFFAOYSA-N 0 0 345.829 4.670 50 30 EJEARN Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1C ZINC000002820206 209921757 /nfs/dbraw/zinc/92/17/57/209921757.db2.gz ZSSDAWAGUGZBLD-UHFFFAOYSA-N 0 0 325.411 4.956 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCCC2 ZINC000002737023 209899454 /nfs/dbraw/zinc/89/94/54/209899454.db2.gz KSULHPFICZBXLB-MDZDMXLPSA-N 0 0 326.421 4.524 50 30 EJEARN N#Cc1c(NC(=O)CCc2c[nH]c3ccccc23)sc2c1CCCC2 ZINC000002660082 209887266 /nfs/dbraw/zinc/88/72/66/209887266.db2.gz BLRJFXPJPYYEGV-UHFFFAOYSA-N 0 0 349.459 4.551 50 30 EJEARN Cc1ccc(-n2c(SCC#N)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002646711 209881966 /nfs/dbraw/zinc/88/19/66/209881966.db2.gz CSFAHZYAENVVAW-UHFFFAOYSA-N 0 0 340.839 4.512 50 30 EJEARN Cc1cc(C)cc(NC(=O)c2cc(C#N)c3c4ccccc4ccn23)c1 ZINC000002544921 209865667 /nfs/dbraw/zinc/86/56/67/209865667.db2.gz KGTPLHUNJSQMQH-UHFFFAOYSA-N 0 0 339.398 4.833 50 30 EJEARN CCCCCC(=O)Nc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000002285652 209837465 /nfs/dbraw/zinc/83/74/65/209837465.db2.gz HRKKYPSCGOXTHX-UHFFFAOYSA-N 0 0 347.414 4.668 50 30 EJEARN CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000040151626 213273059 /nfs/dbraw/zinc/27/30/59/213273059.db2.gz MWQQXWSBLWEUSK-CYBMUJFWSA-N 0 0 327.815 4.827 50 30 EJEARN N#Cc1c(OCc2ccccc2)nsc1SCc1ccccc1 ZINC000001429315 209748279 /nfs/dbraw/zinc/74/82/79/209748279.db2.gz MRMMSTUDTBRHQP-UHFFFAOYSA-N 0 0 338.457 4.886 50 30 EJEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2F)n1 ZINC000001029555 209702206 /nfs/dbraw/zinc/70/22/06/209702206.db2.gz PADZLGBBYFRMIF-UHFFFAOYSA-N 0 0 326.318 4.712 50 30 EJEARN N#Cc1ccccc1Cn1cc(C(=O)c2cccs2)c2ccccc21 ZINC000000619923 209684162 /nfs/dbraw/zinc/68/41/62/209684162.db2.gz UWGRSYSEKCDLNK-UHFFFAOYSA-N 0 0 342.423 4.854 50 30 EJEARN Cc1ncc(-c2ccc(NC(=O)c3ccccc3SCC#N)cc2)o1 ZINC000024760505 202120119 /nfs/dbraw/zinc/12/01/19/202120119.db2.gz ASEDBVGLEJTKNK-UHFFFAOYSA-N 0 0 349.415 4.518 50 30 EJEARN CCN(CC)c1cc(-c2ccccc2)c(C#N)c2nc3ccccc3n21 ZINC000036646021 202328268 /nfs/dbraw/zinc/32/82/68/202328268.db2.gz DBKOZZGXQVTNBS-UHFFFAOYSA-N 0 0 340.430 4.872 50 30 EJEARN Cc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)s1 ZINC000075279018 202380546 /nfs/dbraw/zinc/38/05/46/202380546.db2.gz FQQDKDNNSDSKTR-MDWZMJQESA-N 0 0 334.853 4.602 50 30 EJEARN CCCc1cc(N2CCCCCC2)n2c3ccccc3nc2c1C#N ZINC000000390100 209566650 /nfs/dbraw/zinc/56/66/50/209566650.db2.gz KCNPCNMUGAIOSR-UHFFFAOYSA-N 0 0 332.451 4.692 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1ccccc1)Nc1ccc3ncccc3c12 ZINC000000322182 209537759 /nfs/dbraw/zinc/53/77/59/209537759.db2.gz TZBCBJTUFAYCRC-JOCHJYFZSA-N 0 0 326.399 4.908 50 30 EJEARN CCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OCC ZINC000000194123 209477503 /nfs/dbraw/zinc/47/75/03/209477503.db2.gz UZXLYACFNOHFDY-LDADJPATSA-N 0 0 326.417 4.814 50 30 EJEARN CCOC(=O)c1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1 ZINC000000065663 209397251 /nfs/dbraw/zinc/39/72/51/209397251.db2.gz NOYSMQNWLKHQJU-HYARGMPZSA-N 0 0 333.387 4.776 50 30 EJEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccccc1 ZINC000000062021 209396249 /nfs/dbraw/zinc/39/62/49/209396249.db2.gz INMCEGMJQZRWCD-UHFFFAOYSA-N 0 0 330.412 4.595 50 30 EJEARN CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000000049915 209390990 /nfs/dbraw/zinc/39/09/90/209390990.db2.gz WLBLEQMUQVQENT-CXUHLZMHSA-N 0 0 329.406 4.677 50 30 EJEARN C/C(=N\NC(=S)Nc1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000072433964 216228525 /nfs/dbraw/zinc/22/85/25/216228525.db2.gz OOZUKPBHTVWKQC-HYARGMPZSA-N 0 0 341.524 4.874 50 30 EJEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C/c1cc(F)ccc1F ZINC000097152284 201379147 /nfs/dbraw/zinc/37/91/47/201379147.db2.gz OFPOOPAIEOQXBO-GVCYOOEQSA-N 0 0 341.313 4.703 50 30 EJEARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cccc(C#N)c1 ZINC000024458163 212421148 /nfs/dbraw/zinc/42/11/48/212421148.db2.gz ARSFKQASQUWQSJ-NSHDSACASA-N 0 0 333.218 4.698 50 30 EJEARN Clc1ccccc1/N=C1\NN=C(c2cc3ccccc3o2)CS1 ZINC000021264084 212217320 /nfs/dbraw/zinc/21/73/20/212217320.db2.gz ZXAYVHOZFABADO-UHFFFAOYSA-N 0 0 341.823 4.814 50 30 EJEARN FC(F)(F)c1cnc(C=NNc2ccc(Cl)cc2)c(Cl)c1 ZINC000005253189 201644670 /nfs/dbraw/zinc/64/46/70/201644670.db2.gz QPPZMAVTPPOMMY-IFRROFPPSA-N 0 0 334.128 4.853 50 30 EJEARN C(=N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)\c1cccs1 ZINC000005387555 201649260 /nfs/dbraw/zinc/64/92/60/201649260.db2.gz OZWXDKOPPAJZDI-TVDLNIMFSA-N 0 0 344.443 4.690 50 30 EJEARN CCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 ZINC000020841170 212175160 /nfs/dbraw/zinc/17/51/60/212175160.db2.gz BVFDIQLHFZTCQA-UHFFFAOYSA-N 0 0 337.492 4.696 50 30 EJEARN O=C(/C=C/c1cccc(OCc2ccccc2F)c1)c1cccnc1 ZINC000063274918 202805466 /nfs/dbraw/zinc/80/54/66/202805466.db2.gz HITGEYFHLMBVIV-ZHACJKMWSA-N 0 0 333.362 4.696 50 30 EJEARN CSc1nc(NC2CCCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820548 212071563 /nfs/dbraw/zinc/07/15/63/212071563.db2.gz ACRNWEDHEBLDTC-UHFFFAOYSA-N 0 0 344.871 4.745 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 ZINC000019790412 212067553 /nfs/dbraw/zinc/06/75/53/212067553.db2.gz KFTOHVZIRTYJBU-UHFFFAOYSA-N 0 0 349.474 4.660 50 30 EJEARN N#Cc1nc(CCC2CCCCC2)oc1N1CCc2ccccc2C1 ZINC000096346480 203890257 /nfs/dbraw/zinc/89/02/57/203890257.db2.gz VSESVRLYZKRIFE-UHFFFAOYSA-N 0 0 335.451 4.622 50 30 EJEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(F)cc1 ZINC000044087003 204296203 /nfs/dbraw/zinc/29/62/03/204296203.db2.gz YQLISWPNVPTVKP-UHFFFAOYSA-N 0 0 340.423 4.965 50 30 EJEARN CCO[C@H](c1c(C)oc2cc(C#N)c(C#N)cc21)c1ccc(C)cc1 ZINC000078547663 217072399 /nfs/dbraw/zinc/07/23/99/217072399.db2.gz XUQOEZRPQRNYAR-NRFANRHFSA-N 0 0 330.387 4.919 50 30 EJEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000014166265 211698279 /nfs/dbraw/zinc/69/82/79/211698279.db2.gz UAIJMKBVRRXKIT-KGENOOAVSA-N 0 0 325.481 4.695 50 30 EJEARN CCCN(CCC)c1c(C#N)c(C(C)C)nc2c1CC(C)(C)OC2 ZINC000085407531 217664989 /nfs/dbraw/zinc/66/49/89/217664989.db2.gz JXGBSQKNKBMBHG-UHFFFAOYSA-N 0 0 329.488 4.554 50 30 EJEARN Cc1c(C2CC2)nn(-c2ccccc2)c1NCc1cccc(C#N)c1 ZINC000089556306 217811817 /nfs/dbraw/zinc/81/18/17/217811817.db2.gz USUNJZOLRYBYMA-UHFFFAOYSA-N 0 0 328.419 4.542 50 30 EJEARN C=CCn1c(SCC(C)C)nc2scc(-c3ccco3)c2c1=O ZINC000011020406 211201208 /nfs/dbraw/zinc/20/12/08/211201208.db2.gz SVLHGGNAICGDTR-UHFFFAOYSA-N 0 0 346.477 4.652 50 30 EJEARN C=CCSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 ZINC000010437621 211172290 /nfs/dbraw/zinc/17/22/90/211172290.db2.gz VBFBLTPTWJEYQO-UHFFFAOYSA-N 0 0 340.473 4.603 50 30 EJEARN Cc1sc(NC(=O)c2ccc(SC(F)F)cc2)c(C#N)c1C ZINC000010392382 211169500 /nfs/dbraw/zinc/16/95/00/211169500.db2.gz RPRWPYCLNFGTLW-UHFFFAOYSA-N 0 0 338.404 4.804 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O ZINC000009050770 211035004 /nfs/dbraw/zinc/03/50/04/211035004.db2.gz VPNMRCINUBXEDU-JAIQZWGSSA-N 0 0 336.387 4.656 50 30 biogenic EJEARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1SCCC#N ZINC000095953461 218460929 /nfs/dbraw/zinc/46/09/29/218460929.db2.gz TWLBWPGWGGYZKG-UHFFFAOYSA-N 0 0 336.416 4.999 50 30 EJEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccccc1Cl ZINC000005649725 210509037 /nfs/dbraw/zinc/50/90/37/210509037.db2.gz JBTYOVJZMOBXIN-ZROIWOOFSA-N 0 0 349.242 4.885 50 30 EJEARN C=CCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC ZINC000005068931 210383746 /nfs/dbraw/zinc/38/37/46/210383746.db2.gz UFBQFQLGIQTHRZ-ONNFQVAWSA-N 0 0 328.795 4.810 50 30 EJEARN Cc1cc(C)c(C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1C ZINC000005063548 210380330 /nfs/dbraw/zinc/38/03/30/210380330.db2.gz IERAPMTWYUAHRD-UHFFFAOYSA-N 0 0 338.476 4.779 50 30 EJEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 ZINC000005004204 210358301 /nfs/dbraw/zinc/35/83/01/210358301.db2.gz DKYFASZJOIACKA-CSKARUKUSA-N 0 0 337.306 4.890 50 30 EJEARN N#Cc1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1 ZINC000006998372 208569049 /nfs/dbraw/zinc/56/90/49/208569049.db2.gz FVUALQNPQLZUHD-UHFFFAOYSA-N 0 0 337.231 4.596 50 30 EJEARN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(F)c1 ZINC000004855533 210301461 /nfs/dbraw/zinc/30/14/61/210301461.db2.gz VNBKTVNBWYFSKY-UHFFFAOYSA-N 0 0 332.334 4.742 50 30 EJEARN COc1cccc(/C=C/c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)c1 ZINC000004867803 210307094 /nfs/dbraw/zinc/30/70/94/210307094.db2.gz DUJAPEPXKWFEBN-AYJWMTRPSA-N 0 0 345.402 4.898 50 30 EJEARN CCC(=O)Oc1c(/C=N/N(C)c2ccccc2)sc2ccccc21 ZINC000004814900 210284913 /nfs/dbraw/zinc/28/49/13/210284913.db2.gz HKRVKLAJQSJXCK-DEDYPNTBSA-N 0 0 338.432 4.687 50 30 EJEARN CCNc1ccccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O ZINC000097474759 219028472 /nfs/dbraw/zinc/02/84/72/219028472.db2.gz DOVIVHXZCDQNDE-KHPPLWFESA-N 0 0 348.229 4.682 50 30 EJEARN Cc1ccc(NC(=O)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004799781 210279943 /nfs/dbraw/zinc/27/99/43/210279943.db2.gz GFVKDQAKVNSIJI-UHFFFAOYSA-N 0 0 341.150 4.835 50 30 EJEARN c1ccc(CN=Nc2nnc(Cc3ccccc3)c3ccccc32)cc1 ZINC000004765090 210274239 /nfs/dbraw/zinc/27/42/39/210274239.db2.gz SETSCFKBQYGCHX-XQNSMLJCSA-N 0 0 338.414 4.667 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2ccccc2)o1 ZINC000000097340 258047514 /nfs/dbraw/zinc/04/75/14/258047514.db2.gz MPEUCZZZRDCYBQ-UHFFFAOYSA-N 0 0 332.380 4.893 50 30 EJEARN C[C@H](NCc1ncc(C2CC2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587211 258046285 /nfs/dbraw/zinc/04/62/85/258046285.db2.gz HOWKEOQIDNXFKZ-HNNXBMFYSA-N 0 0 343.430 4.941 50 30 EJEARN CCC(C)(C)C1CCC(CC(=O)NC[C@H](C)c2nncn2C)CC1 ZINC000330032693 258002139 /nfs/dbraw/zinc/00/21/39/258002139.db2.gz QZBZDVVYXCRIOU-FHERZECASA-N 0 0 334.508 4.508 50 30 EJEARN CC(C)n1cc2ccc(NC(=O)CSCC(F)(F)F)cc2n1 ZINC000330032878 258002578 /nfs/dbraw/zinc/00/25/78/258002578.db2.gz SXPJAINWQAEHBK-UHFFFAOYSA-N 0 0 331.363 4.501 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000000454732 258017090 /nfs/dbraw/zinc/01/70/90/258017090.db2.gz KVPRBCIDOLBJJL-UHFFFAOYSA-N 0 0 336.435 4.979 50 30 EJEARN C=C(Br)Cn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000000452528 258017566 /nfs/dbraw/zinc/01/75/66/258017566.db2.gz KMDIWLPHXOCVJR-UHFFFAOYSA-N 0 0 343.224 4.621 50 30 EJEARN O=C(O/N=C(/Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000000109450 258047376 /nfs/dbraw/zinc/04/73/76/258047376.db2.gz ADQMZRVHYCRKKX-STZFKDTASA-N 0 0 341.716 4.658 50 30 EJEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000004551705 258051059 /nfs/dbraw/zinc/05/10/59/258051059.db2.gz XVXUJTNCLVHZSI-FYJGNVAPSA-N 0 0 337.448 4.963 50 30 EJEARN O=C(/C=C/c1cccc(O)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000007132590 258052971 /nfs/dbraw/zinc/05/29/71/258052971.db2.gz GDQXINZFJVOYEQ-MDWZMJQESA-N 0 0 340.382 4.627 50 30 EJEARN CCOc1ccc([C@@H](C)NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000013496739 258056078 /nfs/dbraw/zinc/05/60/78/258056078.db2.gz JLIOYJUFXPJOPJ-CYBMUJFWSA-N 0 0 348.899 4.875 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000256462703 258073479 /nfs/dbraw/zinc/07/34/79/258073479.db2.gz UZROOFLUFHWOJQ-JLHGIXDNSA-N 0 0 332.459 4.672 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000256462710 258073543 /nfs/dbraw/zinc/07/35/43/258073543.db2.gz UZROOFLUFHWOJQ-MMKZJUERSA-N 0 0 332.459 4.672 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@]43C)OCCO5)[C@H]1CC[C@H]2C=O ZINC000257346568 258073691 /nfs/dbraw/zinc/07/36/91/258073691.db2.gz SHBDEYQGGFCLQI-WSBLSWJJSA-N 0 0 344.495 4.507 50 30 EJEARN C(=N/Cc1cccnc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003252679 518376482 /nfs/dbraw/zinc/37/64/82/518376482.db2.gz QGCRGRCZYOIIMI-LFVJCYFKSA-N 0 0 338.414 4.553 50 30 EJEARN CC(=O)c1cccc(N=Cc2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000000271147 518414379 /nfs/dbraw/zinc/41/43/79/518414379.db2.gz IBXDTVOQHORJJY-HZHRSRAPSA-N 0 0 343.382 4.859 50 30 EJEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(N)c1 ZINC000004475467 518466757 /nfs/dbraw/zinc/46/67/57/518466757.db2.gz QCKRUEKXWAXTJE-SRZZPIQSSA-N 0 0 342.855 4.882 50 30 EJEARN C=C(C)Cn1c(SCc2ccccc2C)nnc1-c1ccncc1 ZINC000016788589 518640235 /nfs/dbraw/zinc/64/02/35/518640235.db2.gz XAGZHKOIHZPYKH-UHFFFAOYSA-N 0 0 336.464 4.517 50 30 EJEARN C=CCc1ccc(OCCCOc2cccc(C)c2C)c(OC)c1 ZINC000002985840 519137294 /nfs/dbraw/zinc/13/72/94/519137294.db2.gz ZCBDWPBARGBHEQ-UHFFFAOYSA-N 0 0 326.436 4.888 50 30 EJEARN CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000000066191 519708992 /nfs/dbraw/zinc/70/89/92/519708992.db2.gz YSVJRZMDJLWNAE-HZHRSRAPSA-N 0 0 344.414 4.975 50 30 EJEARN CCCCCCCC[S@](=O)c1sc2nc(C)cc(C)c2c1N ZINC000008680834 520047518 /nfs/dbraw/zinc/04/75/18/520047518.db2.gz QYYRACQLIHJOTH-JOCHJYFZSA-N 0 0 338.542 4.963 50 30 EJEARN CCCCCCCNC(=O)CCSCc1c[nH]c2ccccc12 ZINC000101991421 520053952 /nfs/dbraw/zinc/05/39/52/520053952.db2.gz URWQNWWNISVSFI-UHFFFAOYSA-N 0 0 332.513 4.878 50 30 EJEARN CC/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1 ZINC000000372907 520180636 /nfs/dbraw/zinc/18/06/36/520180636.db2.gz VLLKAGFSNNHPGB-XUTLUUPISA-N 0 0 325.408 4.753 50 30 EJEARN CCOc1cc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)ccc1O ZINC000096256126 520638290 /nfs/dbraw/zinc/63/82/90/520638290.db2.gz ITELXAXQWSYUED-NTMALXAHSA-N 0 0 345.464 4.749 50 30 EJEARN CCCCOC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1 ZINC000100010334 520700803 /nfs/dbraw/zinc/70/08/03/520700803.db2.gz CULYZFOOJBHBNM-PNLAZTJQSA-N 0 0 337.419 4.802 50 30 EJEARN CCOc1ccc(NC(=NC#N)SCc2ccccc2C)cc1 ZINC000004620312 521032963 /nfs/dbraw/zinc/03/29/63/521032963.db2.gz SNMBITJXPJHHAU-UHFFFAOYSA-N 0 0 325.437 4.576 50 30 EJEARN CCCN(CCC)c1ccc(C=[NH+][N-]c2nncc3ccccc32)cc1 ZINC000004063537 521650175 /nfs/dbraw/zinc/65/01/75/521650175.db2.gz IDAKWGIMQOCBRM-PXLXIMEGSA-N 0 0 347.466 4.702 50 30 EJEARN COc1ccc(C(=O)C=CNc2ccccc2C(C)C)cc1OC ZINC000000302361 523538910 /nfs/dbraw/zinc/53/89/10/523538910.db2.gz FMNYBDPTYCFPPE-VAWYXSNFSA-N 0 0 325.408 4.636 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(OC)cc3)o2)cc1 ZINC000004076131 523539485 /nfs/dbraw/zinc/53/94/85/523539485.db2.gz JPNJBYMHDQSKJZ-ACCUITESSA-N 0 0 334.371 4.860 50 30 biogenic EJEARN Cc1cccc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)c1 ZINC000005692807 524153896 /nfs/dbraw/zinc/15/38/96/524153896.db2.gz MLJROVCBLVCPBL-IZZDOVSWSA-N 0 0 336.460 4.605 50 30 EJEARN COc1ccccc1N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000000479570 524648647 /nfs/dbraw/zinc/64/86/47/524648647.db2.gz YPHQTERQIMBMOV-NRFANRHFSA-N 0 0 344.414 4.951 50 30 EJEARN Cc1cccc(OCCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 ZINC000003287161 524723423 /nfs/dbraw/zinc/72/34/23/524723423.db2.gz ACDNTPZZCWZHRY-RCCKNPSSSA-N 0 0 335.447 4.645 50 30 EJEARN Oc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000013895672 526370670 /nfs/dbraw/zinc/37/06/70/526370670.db2.gz XVGAAOPDHGXUKG-GIJQJNRQSA-N 0 0 329.812 4.615 50 30 EJEARN N#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000016495955 526481588 /nfs/dbraw/zinc/48/15/88/526481588.db2.gz UFUZAPHCZBGRAG-UHFFFAOYSA-N 0 0 342.398 4.507 50 30 EJEARN O=C(C=C(Nc1ccccc1)C(=O)Nc1ccccc1)c1ccccc1 ZINC000003138387 527593117 /nfs/dbraw/zinc/59/31/17/527593117.db2.gz ABQDZJZGKDDIFM-SILNSSARSA-N 0 0 342.398 4.504 50 30 EJEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 ZINC000004159634 527605238 /nfs/dbraw/zinc/60/52/38/527605238.db2.gz KCPFFDMEWYWMDL-VQHVLOKHSA-N 0 0 325.345 4.812 50 30 EJEARN O=C(/C=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccccc1 ZINC000006343979 527617270 /nfs/dbraw/zinc/61/72/70/527617270.db2.gz JGWUANPEPDUDHO-JLHYYAGUSA-N 0 0 334.396 4.863 50 30 EJEARN O=C(/C=C/c1ccccc1)c1cccc(C(=O)/C=C\c2ccccc2)n1 ZINC000025692253 527633559 /nfs/dbraw/zinc/63/35/59/527633559.db2.gz HQWFMKUWIIDOFJ-QUDUTFMFSA-N 0 0 339.394 4.874 50 30 EJEARN O=C(/C=C\c1ccccc1)c1cccc(C(=O)/C=C\c2ccccc2)n1 ZINC000037246174 527658355 /nfs/dbraw/zinc/65/83/55/527658355.db2.gz HQWFMKUWIIDOFJ-RYOQUFEFSA-N 0 0 339.394 4.874 50 30 EJEARN COc1ccc(Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 ZINC000005330061 564002661 /nfs/dbraw/zinc/00/26/61/564002661.db2.gz CYROMSJNIZDWGX-UHFFFAOYSA-N 0 0 328.586 4.666 50 30 EJEARN N#CCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000037226 563212056 /nfs/dbraw/zinc/21/20/56/563212056.db2.gz FFCQDMDQTXQJTK-UHFFFAOYSA-N 0 0 326.399 4.523 50 30 EJEARN COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O ZINC000000046367 563213180 /nfs/dbraw/zinc/21/31/80/563213180.db2.gz LUGORMZAKGFOQQ-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN O=C(Nc1ccccc1)O/N=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000000142167 563242547 /nfs/dbraw/zinc/24/25/47/563242547.db2.gz HTEAFGSJLYGDGY-SRZZPIQSSA-N 0 0 342.301 4.807 50 30 EJEARN COc1ccc([C@@H](C#N)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000153412 563247086 /nfs/dbraw/zinc/24/70/86/563247086.db2.gz HBKKACMTMUNMJH-NRFANRHFSA-N 0 0 345.373 4.721 50 30 EJEARN CC[C@@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000000159062 563248480 /nfs/dbraw/zinc/24/84/80/563248480.db2.gz CYMDKYSYNIBVIS-OAHLLOKOSA-N 0 0 335.451 4.743 50 30 EJEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000000182863 563254824 /nfs/dbraw/zinc/25/48/24/563254824.db2.gz NUQXBDNWMNKSSV-LRTDBIEQSA-N 0 0 346.386 4.852 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3)C12 ZINC000000222580 563262645 /nfs/dbraw/zinc/26/26/45/563262645.db2.gz NLNTWIXHYKFWAG-IBGZPJMESA-N 0 0 349.821 4.712 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(Br)c(C)c2)cc1 ZINC000000449347 563318648 /nfs/dbraw/zinc/31/86/48/563318648.db2.gz WOWZLDNCAACWQC-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN N#CC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CCCC1 ZINC000000616714 563358743 /nfs/dbraw/zinc/35/87/43/563358743.db2.gz IMOZJGYDOWZLGM-UHFFFAOYSA-N 0 0 338.838 4.857 50 30 EJEARN CC(C)=NOC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000001047471 563370161 /nfs/dbraw/zinc/37/01/61/563370161.db2.gz BSECZCZYASGDEH-UHFFFAOYSA-N 0 0 343.235 4.593 50 30 EJEARN N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001397654 563386752 /nfs/dbraw/zinc/38/67/52/563386752.db2.gz FCYNMFFUNQQEJR-CYBMUJFWSA-N 0 0 348.627 4.983 50 30 EJEARN O=C1c2ccsc2SC/C1=C\c1cccc(Br)c1 ZINC000001403630 563387765 /nfs/dbraw/zinc/38/77/65/563387765.db2.gz QKPWTEZXHITEDD-UXBLZVDNSA-N 0 0 337.263 4.883 50 30 EJEARN Clc1ccc(/C=N/c2ccc(I)cc2)cc1 ZINC000002162175 563424814 /nfs/dbraw/zinc/42/48/14/563424814.db2.gz QQRLQNNABICPKV-CXUHLZMHSA-N 0 0 341.579 4.695 50 30 EJEARN CC(C)(C)c1cc(/C=N/[C@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002506780 563434876 /nfs/dbraw/zinc/43/48/76/563434876.db2.gz QBLAJFNGSINFEB-ORWNMUSCSA-N 0 0 333.516 4.813 50 30 EJEARN N#CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002528061 563439697 /nfs/dbraw/zinc/43/96/97/563439697.db2.gz JVNGVPICFBYTGS-UHFFFAOYSA-N 0 0 329.399 4.911 50 30 EJEARN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)c2ccccc2C1=O ZINC000002582188 563443204 /nfs/dbraw/zinc/44/32/04/563443204.db2.gz VHWZFVODYJXXMX-UHFFFAOYSA-N 0 0 332.186 4.759 50 30 EJEARN O=C1C(Cl)=CC(=NSc2nc3ccccc3s2)C=C1Cl ZINC000002878908 563460142 /nfs/dbraw/zinc/46/01/42/563460142.db2.gz UZZACIRINBUFOJ-UHFFFAOYSA-N 0 0 341.244 4.573 50 30 EJEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Br)cc1 ZINC000002993306 563468484 /nfs/dbraw/zinc/46/84/84/563468484.db2.gz KFSNCIPWXBRLIS-ACCUITESSA-N 0 0 330.225 4.956 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccccc1 ZINC000003173164 563475667 /nfs/dbraw/zinc/47/56/67/563475667.db2.gz REHUPAQDLIEZJW-GOSISDBHSA-N 0 0 345.442 4.850 50 30 EJEARN CCNc1ccccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O ZINC000004667376 563507301 /nfs/dbraw/zinc/50/73/01/563507301.db2.gz LEWCEZZDVHGZQD-CSKARUKUSA-N 0 0 348.229 4.682 50 30 EJEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000004741838 563509926 /nfs/dbraw/zinc/50/99/26/563509926.db2.gz DGEYNHYVNRJHLY-OAQYLSRUSA-N 0 0 343.430 4.621 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2cccc(OC(F)(F)C(F)F)c2)C1 ZINC000005190435 563522402 /nfs/dbraw/zinc/52/24/02/563522402.db2.gz XXRVDOQZIDCBBC-UHFFFAOYSA-N 0 0 331.309 4.608 50 30 EJEARN CCCCCCCNC1=CC(=O)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000008410281 563629724 /nfs/dbraw/zinc/62/97/24/563629724.db2.gz QIPGYAQKFPWBOT-KRWDZBQOSA-N 0 0 345.483 4.594 50 30 EJEARN CCOc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 ZINC000013686008 563710771 /nfs/dbraw/zinc/71/07/71/563710771.db2.gz LJWZJNNMHKKEJS-HNNXBMFYSA-N 0 0 328.481 4.804 50 30 EJEARN C=CCN(Cc1cn2cccc(C)c2n1)Cc1ccc(Cl)s1 ZINC000032751341 563724432 /nfs/dbraw/zinc/72/44/32/563724432.db2.gz WMYWRFLZFMSNOR-UHFFFAOYSA-N 0 0 331.872 4.546 50 30 EJEARN O=C(/C=C/c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000013954997 563732897 /nfs/dbraw/zinc/73/28/97/563732897.db2.gz ZSCOPPVOKVWXIL-DTQAZKPQSA-N 0 0 327.383 4.835 50 30 EJEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(F)cc2)S1 ZINC000015016534 563772733 /nfs/dbraw/zinc/77/27/33/563772733.db2.gz FOWQPOMJOBAWOT-DHDCSXOGSA-N 0 0 346.814 4.679 50 30 EJEARN Brc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000015225739 563780368 /nfs/dbraw/zinc/78/03/68/563780368.db2.gz OFAIIVPWJUMMFE-CPNJWEJPSA-N 0 0 329.241 4.800 50 30 EJEARN COc1ccc(/N=C2/c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 ZINC000016101903 563803619 /nfs/dbraw/zinc/80/36/19/563803619.db2.gz POYVRXKSUUEESG-ZQKSFYQXSA-N 0 0 327.383 4.796 50 30 EJEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000016607426 563817313 /nfs/dbraw/zinc/81/73/13/563817313.db2.gz GYANXLOWLMLQSB-ISXGRJCASA-N 0 0 327.387 4.581 50 30 EJEARN Nc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000017067487 563831631 /nfs/dbraw/zinc/83/16/31/563831631.db2.gz GEAMLFKRRVLFPK-OVCLIPMQSA-N 0 0 329.399 4.744 50 30 EJEARN CC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000018056881 563847422 /nfs/dbraw/zinc/84/74/22/563847422.db2.gz MQVUPCKTWKAUGE-HZHRSRAPSA-N 0 0 344.414 4.975 50 30 EJEARN CCN1C/C(=C\c2cccc(C)c2)C(=O)/C(=C/c2cccc(C)c2)C1 ZINC000025759036 563888025 /nfs/dbraw/zinc/88/80/25/563888025.db2.gz AXVUXKRHIVMKHK-JFMUQQRKSA-N 0 0 331.459 4.675 50 30 EJEARN O=C1/C(=N\O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000025763644 563888337 /nfs/dbraw/zinc/88/83/37/563888337.db2.gz KTYRRPGIAHUNMG-INZAYJCZSA-N 0 0 339.394 4.794 50 30 EJEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000013625448 563930713 /nfs/dbraw/zinc/93/07/13/563930713.db2.gz UXPJOAORPAFLSI-SOFYXZRVSA-N 0 0 349.169 4.535 50 30 EJEARN COc1cccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)c1OC ZINC000058776434 563947134 /nfs/dbraw/zinc/94/71/34/563947134.db2.gz SQETUQJRGHUONB-ZHACJKMWSA-N 0 0 345.464 4.662 50 30 EJEARN O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000059522889 563949055 /nfs/dbraw/zinc/94/90/55/563949055.db2.gz APTRJYQWCOXFRN-JLHYYAGUSA-N 0 0 333.412 4.897 50 30 EJEARN N#Cc1ccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc1 ZINC000096402509 563949877 /nfs/dbraw/zinc/94/98/77/563949877.db2.gz FHSCIFIUZJFQNC-ATVHPVEESA-N 0 0 342.423 4.894 50 30 EJEARN CC(C)(C)C(=O)Cc1nc2ccccc2nc1CC(=O)C(C)(C)C ZINC000004638866 563951389 /nfs/dbraw/zinc/95/13/89/563951389.db2.gz HUMLFMNDECZUCY-NFLUSIDLSA-N 0 0 326.440 4.522 50 30 EJEARN COc1cc(/N=C/c2c(O)ccc3ccccc32)c(OC)cc1Cl ZINC000086040465 563974058 /nfs/dbraw/zinc/97/40/58/563974058.db2.gz NHURGBBCGMDYHQ-SRZZPIQSSA-N 0 0 341.794 4.967 50 30 EJEARN Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C ZINC000000191249 563988160 /nfs/dbraw/zinc/98/81/60/563988160.db2.gz PAWFUCRKIGKJEY-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN C/C(=N/NC(=S)Nc1ccccc1)c1cc2ccccc2s1 ZINC000000254849 563989550 /nfs/dbraw/zinc/98/95/50/563989550.db2.gz KTXCBUUZPFQIHW-UNOMPAQXSA-N 0 0 325.462 4.612 50 30 EJEARN N#Cc1cccnc1NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000024106889 563991913 /nfs/dbraw/zinc/99/19/13/563991913.db2.gz BXROZHABQKPUFE-IBGZPJMESA-N 0 0 338.414 4.679 50 30 EJEARN N#Cc1c2c(c(-c3ccc(F)cc3F)n3c4ccccc4nc13)CCC2 ZINC000012970495 563993907 /nfs/dbraw/zinc/99/39/07/563993907.db2.gz RUEAMIARVIULGZ-UHFFFAOYSA-N 0 0 345.352 4.793 50 30 EJEARN Cc1cc(NC=CC(=O)c2ccc(Br)cc2)ccc1F ZINC000033869663 563996481 /nfs/dbraw/zinc/99/64/81/563996481.db2.gz JNSFDQXSPRULJW-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN Brc1ccc(-c2csc(N=NCc3ccco3)n2)cc1 ZINC000252616712 563997932 /nfs/dbraw/zinc/99/79/32/563997932.db2.gz KECGDNDIPWAYCW-UHFFFAOYSA-N 0 0 348.225 4.612 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C)cc1 ZINC000000447739 563999664 /nfs/dbraw/zinc/99/96/64/563999664.db2.gz LQZSGLUUMSRGEF-UHFFFAOYSA-N 0 0 341.410 4.865 50 30 EJEARN CCOc1ccc2cc(/C=C\C(=O)c3ccco3)c(Cl)nc2c1 ZINC000033929120 564000874 /nfs/dbraw/zinc/00/08/74/564000874.db2.gz YWXGZDZAWBREOQ-VURMDHGXSA-N 0 0 327.767 4.776 50 30 EJEARN N#Cc1ccccc1CSc1nnc(-c2cccs2)n1C1CC1 ZINC000005231495 564001363 /nfs/dbraw/zinc/00/13/63/564001363.db2.gz DWGCUVVVRGHFLS-UHFFFAOYSA-N 0 0 338.461 4.505 50 30 EJEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000005254703 564001599 /nfs/dbraw/zinc/00/15/99/564001599.db2.gz NPCMKQMIUHMXEM-PXNMLYILSA-N 0 0 349.169 4.535 50 30 EJEARN N#Cc1c2c(sc1NSc1ccccc1[N+](=O)[O-])CCCC2 ZINC000003165098 564004112 /nfs/dbraw/zinc/00/41/12/564004112.db2.gz XGSYDCYXZOOPGA-UHFFFAOYSA-N 0 0 331.422 4.526 50 30 EJEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 ZINC000005550912 564005268 /nfs/dbraw/zinc/00/52/68/564005268.db2.gz QTAJTROKBNXIFP-WJDWOHSUSA-N 0 0 342.851 4.794 50 30 EJEARN Fc1cccc(C(F)(F)F)c1OC(C(F)(F)F)C(F)(F)F ZINC000169725628 564017207 /nfs/dbraw/zinc/01/72/07/564017207.db2.gz DOKPLRDJEFENOG-UHFFFAOYSA-N 0 0 330.121 4.717 50 30 EJEARN Cc1scc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000180741529 564013555 /nfs/dbraw/zinc/01/35/55/564013555.db2.gz JXPGVSNWMPICHB-LLVKDONJSA-N 0 0 345.374 4.600 50 30 EJEARN O=C1c2ccc3ccccc3c2N/C1=C1\Sc2ccccc2C1=O ZINC000100883256 564017000 /nfs/dbraw/zinc/01/70/00/564017000.db2.gz FOZAWHHJYNOERY-JZJYNLBNSA-N 0 0 329.380 4.648 50 30 EJEARN Cc1ccnc(/N=C/c2cc(Br)c3ccccc3c2O)c1 ZINC000000499762 564018477 /nfs/dbraw/zinc/01/84/77/564018477.db2.gz NWRQACQGPVHKBL-KEBDBYFISA-N 0 0 341.208 4.762 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1)OCO3 ZINC000018197451 564018743 /nfs/dbraw/zinc/01/87/43/564018743.db2.gz WXYPJDIKNIGWPW-HXUWFJFHSA-N 0 0 347.414 4.616 50 30 EJEARN COc1ccc(/C=C\C(=O)c2c(Cl)n(C)c3ccccc32)cc1 ZINC000101414701 564019434 /nfs/dbraw/zinc/01/94/34/564019434.db2.gz CUVJHJCKOAGZFN-XFXZXTDPSA-N 0 0 325.795 4.736 50 30 EJEARN Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1 ZINC000000508046 564019766 /nfs/dbraw/zinc/01/97/66/564019766.db2.gz NVBABPRVFJDOKL-UHFFFAOYSA-N 0 0 349.415 4.745 50 30 EJEARN Clc1ccc(/N=C/c2ccc(OCC3=CCOCC3)cc2)cc1 ZINC000103541021 564022718 /nfs/dbraw/zinc/02/27/18/564022718.db2.gz LMTUMXBYBDMOCO-FYJGNVAPSA-N 0 0 327.811 4.816 50 30 EJEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2cccc(C)c2)c1C#N ZINC000005747774 564024957 /nfs/dbraw/zinc/02/49/57/564024957.db2.gz DDSFZKLRSHFMJA-UHFFFAOYSA-N 0 0 343.430 4.586 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccc(N(C)C)cc2)cc1 ZINC000044842988 564027411 /nfs/dbraw/zinc/02/74/11/564027411.db2.gz BOIRLOXRCJLVMH-CCEZHUSRSA-N 0 0 338.451 4.740 50 30 EJEARN Cc1ccc(C(=O)C=CNc2cccc(Br)c2)cc1C ZINC000044844102 564027426 /nfs/dbraw/zinc/02/74/26/564027426.db2.gz IJDZZUCWZKATEI-CMDGGOBGSA-N 0 0 330.225 4.874 50 30 EJEARN COc1ccc(C(=O)C=CNc2cccc(C(C)C)c2)cc1OC ZINC000044843558 564027436 /nfs/dbraw/zinc/02/74/36/564027436.db2.gz NFGBQWAEJQMCLC-ZHACJKMWSA-N 0 0 325.408 4.636 50 30 EJEARN Cc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 ZINC000005798817 564052243 /nfs/dbraw/zinc/05/22/43/564052243.db2.gz PKLILLXSSPWLOR-SIKLNZKXSA-N 0 0 342.398 4.863 50 30 EJEARN Cc1cc2oc(=O)cc(COc3ccc(C#N)cc3Cl)c2cc1C ZINC000018963616 564052734 /nfs/dbraw/zinc/05/27/34/564052734.db2.gz BYVOLLWKPJSGFL-UHFFFAOYSA-N 0 0 339.778 4.514 50 30 EJEARN CC(=O)C1=CC[C@@H]2[C@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257357677 564055982 /nfs/dbraw/zinc/05/59/82/564055982.db2.gz PIPYBRMLUCOTFE-HOJKFQMUSA-N 0 0 328.496 4.826 50 30 EJEARN O=C(/C=C\c1ccc2ncccc2c1)c1ccc(Br)cc1 ZINC000015357001 564061651 /nfs/dbraw/zinc/06/16/51/564061651.db2.gz WFRHYYNEEILVAT-WMZJFQQLSA-N 0 0 338.204 4.893 50 30 EJEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c1C ZINC000001286748 564062938 /nfs/dbraw/zinc/06/29/38/564062938.db2.gz DZRBLTMLQJVGTM-YBEGLDIGSA-N 0 0 342.851 4.848 50 30 EJEARN Cc1cccc([C@@H](C#N)c2nc3ccccc3nc2C(F)(F)F)c1 ZINC000001382055 564063985 /nfs/dbraw/zinc/06/39/85/564063985.db2.gz KBSMMFJXDNUTJH-CYBMUJFWSA-N 0 0 327.309 4.613 50 30 EJEARN O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000053091165 564066066 /nfs/dbraw/zinc/06/60/66/564066066.db2.gz CEAXBBCOXVTZIX-SNAWJCMRSA-N 0 0 327.283 4.571 50 30 EJEARN C=CCc1cccc(CNc2nc3ccccc3n2CCCC)c1O ZINC000013661564 564073972 /nfs/dbraw/zinc/07/39/72/564073972.db2.gz ZXUHWYXRMLMBNV-UHFFFAOYSA-N 0 0 335.451 4.883 50 30 EJEARN C=C1CCc2ccccc2N1C1CCN(c2ccc(OC)cc2)CC1 ZINC000000399767 564074574 /nfs/dbraw/zinc/07/45/74/564074574.db2.gz IAIVJFMCQHJTGQ-UHFFFAOYSA-N 0 0 334.463 4.631 50 30 EJEARN C=CCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 ZINC000001775052 564074726 /nfs/dbraw/zinc/07/47/26/564074726.db2.gz OFLUZTILURVWFI-UHFFFAOYSA-N 0 0 328.751 4.804 50 30 EJEARN N#C[C@H]1CCC[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)C1 ZINC000185744279 564074764 /nfs/dbraw/zinc/07/47/64/564074764.db2.gz JNYNDRYXMJXKTR-LPHOPBHVSA-N 0 0 340.471 4.589 50 30 EJEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1Cl ZINC000002141265 564076036 /nfs/dbraw/zinc/07/60/36/564076036.db2.gz QCHLPKLSUYFIKJ-CAOOACKPSA-N 0 0 325.151 4.661 50 30 EJEARN C=CCCCCCOC(=O)C12CC(C(=O)OCCCCCC=C)(C1)C2 ZINC000043198579 564076170 /nfs/dbraw/zinc/07/61/70/564076170.db2.gz SKSPWIGRYJARDY-UHFFFAOYSA-N 0 0 348.483 4.736 50 30 EJEARN C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(OC)cc1 ZINC000018164437 564077324 /nfs/dbraw/zinc/07/73/24/564077324.db2.gz RGNJULITIRNBBJ-UHFFFAOYSA-N 0 0 331.419 4.933 50 30 EJEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccccc1 ZINC000001859171 564088949 /nfs/dbraw/zinc/08/89/49/564088949.db2.gz RFXUWLMJRNKRDW-FYJGNVAPSA-N 0 0 346.459 4.572 50 30 EJEARN C[C@@H](C#N)Oc1ccc(CNc2cccc(-c3nccs3)c2)cc1 ZINC000089368645 564089820 /nfs/dbraw/zinc/08/98/20/564089820.db2.gz NBUPXHLCXUHZEF-AWEZNQCLSA-N 0 0 335.432 4.713 50 30 EJEARN N#CCOc1c(=O)c2cc(Cl)ccc2oc1-c1ccccc1Cl ZINC000001925402 564090253 /nfs/dbraw/zinc/09/02/53/564090253.db2.gz JFJMTMPUTXUZNE-UHFFFAOYSA-N 0 0 346.169 4.669 50 30 EJEARN N#Cc1cccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000007990083 564090550 /nfs/dbraw/zinc/09/05/50/564090550.db2.gz BPROGBUIDUAYPD-UHFFFAOYSA-N 0 0 346.361 4.529 50 30 EJEARN CC(C)CCNC(=NC(=O)c1ccc(Cl)c(Cl)c1)OC(C)C ZINC000035818041 564090901 /nfs/dbraw/zinc/09/09/01/564090901.db2.gz TYAKGYLTFYXYJJ-UHFFFAOYSA-N 0 0 345.270 4.550 50 30 EJEARN O=C(/C=C\c1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000224513983 564092729 /nfs/dbraw/zinc/09/27/29/564092729.db2.gz KJPDYZANLMSJCT-HJWRWDBZSA-N 0 0 326.193 4.827 50 30 EJEARN N#Cc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000006879649 564100442 /nfs/dbraw/zinc/10/04/42/564100442.db2.gz KTKOTIBIIMPOOB-UHFFFAOYSA-N 0 0 326.399 4.719 50 30 EJEARN CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000238809296 564104993 /nfs/dbraw/zinc/10/49/93/564104993.db2.gz OYZITXKNUGHHKV-UKIBZPOASA-N 0 0 333.431 5.347 50 30 EJEARN N#Cc1cc(SCc2ccccc2)c(N2CCCCC2)cc1C#N ZINC000007380195 564107684 /nfs/dbraw/zinc/10/76/84/564107684.db2.gz LDCKDRXDJWZCPX-UHFFFAOYSA-N 0 0 333.460 4.713 50 30 EJEARN C=CCN(C(=O)c1cc2ccccc2o1)c1nc2c(s1)CCCC2 ZINC000007405959 564108027 /nfs/dbraw/zinc/10/80/27/564108027.db2.gz HFBNOXRESBPBHJ-UHFFFAOYSA-N 0 0 338.432 4.601 50 30 EJEARN COc1cccc2c1ncc(C#N)c2Nc1ccc(F)c(Cl)c1 ZINC000016840743 564113770 /nfs/dbraw/zinc/11/37/70/564113770.db2.gz WPNCLEXGRJNLEJ-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN COc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc32)cc1OC ZINC000016840722 564113771 /nfs/dbraw/zinc/11/37/71/564113771.db2.gz GUBZXVQFWOMPMG-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1(C)C ZINC000076094707 564115714 /nfs/dbraw/zinc/11/57/14/564115714.db2.gz SHMSWLYVYOESHD-UHFFFAOYSA-N 0 0 334.419 4.611 50 30 EJEARN CCCC(Cl)=NOC(=O)Nc1cc(C(F)(F)F)ccc1OC ZINC000252431055 564118410 /nfs/dbraw/zinc/11/84/10/564118410.db2.gz ZZHGIYUQMJULBM-UHFFFAOYSA-N 0 0 338.713 4.615 50 30 EJEARN Clc1cccc(C=Nc2ccc(I)cc2)c1 ZINC000252461272 564118721 /nfs/dbraw/zinc/11/87/21/564118721.db2.gz LSSBDZVOJMIKHW-UHFFFAOYSA-N 0 0 341.579 4.695 50 30 EJEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000007606217 564120878 /nfs/dbraw/zinc/12/08/78/564120878.db2.gz WWZXFLHHSODGLG-KUHUBIRLSA-N 0 0 332.513 4.519 50 30 EJEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000007606219 564120885 /nfs/dbraw/zinc/12/08/85/564120885.db2.gz WWZXFLHHSODGLG-IFXJQAMLSA-N 0 0 332.513 4.519 50 30 EJEARN Cc1[nH]nc(N=Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(Cl)cc1 ZINC000252612268 564121851 /nfs/dbraw/zinc/12/18/51/564121851.db2.gz IRJSQSLAPSRXES-UHFFFAOYSA-N 0 0 340.770 4.697 50 30 EJEARN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000065884448 564121948 /nfs/dbraw/zinc/12/19/48/564121948.db2.gz QCGWYCBXXAOQNL-OAQYLSRUSA-N 0 0 326.399 4.689 50 30 EJEARN Cc1ccc(-c2nc3cc(N=Cc4ccc(O)cc4O)ccc3o2)cc1 ZINC000252616105 564122059 /nfs/dbraw/zinc/12/20/59/564122059.db2.gz JXBQHCDFPSIYFV-UHFFFAOYSA-N 0 0 344.370 4.965 50 30 EJEARN C=CCn1c2ccccc2nc1N=C(C)c1cc(Cl)ccc1O ZINC000252621698 564122896 /nfs/dbraw/zinc/12/28/96/564122896.db2.gz NEYQTKNRULJUEI-UHFFFAOYSA-N 0 0 325.799 4.722 50 30 EJEARN COc1cc(Br)cc(C=Nc2cc(C)ccc2C)c1O ZINC000252623942 564123131 /nfs/dbraw/zinc/12/31/31/564123131.db2.gz PCSCHJKYTOHCIT-UHFFFAOYSA-N 0 0 334.213 4.531 50 30 EJEARN COc1ccc(Br)cc1C=Nc1sc(C)c(C)c1C#N ZINC000252628555 564123512 /nfs/dbraw/zinc/12/35/12/564123512.db2.gz SSTMGBKZPNZSKG-UHFFFAOYSA-N 0 0 349.253 4.758 50 30 EJEARN COc1ccc(N=Cc2c(O)ccc3ccccc32)c2ncccc12 ZINC000252633348 564124252 /nfs/dbraw/zinc/12/42/52/564124252.db2.gz WDAWHBXZACTWTN-UHFFFAOYSA-N 0 0 328.371 4.853 50 30 EJEARN Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(C)C1=O ZINC000252634655 564124559 /nfs/dbraw/zinc/12/45/59/564124559.db2.gz WPYPTDXHCKHHJZ-OUCYFQBSSA-N 0 0 347.443 4.710 50 30 EJEARN C=CCSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 ZINC000002277692 564125632 /nfs/dbraw/zinc/12/56/32/564125632.db2.gz DMRQZFKOHSOMPL-UHFFFAOYSA-N 0 0 341.505 4.959 50 30 EJEARN C[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000002143309 564130092 /nfs/dbraw/zinc/13/00/92/564130092.db2.gz RUFRUYRQDZSWAT-OSPHWJPCSA-N 0 0 340.422 4.704 50 30 EJEARN N#CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002313310 564132209 /nfs/dbraw/zinc/13/22/09/564132209.db2.gz FAGAAFRIKKKLDW-UHFFFAOYSA-N 0 0 334.206 4.946 50 30 EJEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=N\O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000253499677 564132763 /nfs/dbraw/zinc/13/27/63/564132763.db2.gz MAIMKJVHBJVMBS-HPTGXAGOSA-N 0 0 347.499 4.791 50 30 biogenic EJEARN Cc1cccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)c1 ZINC000000344326 564133104 /nfs/dbraw/zinc/13/31/04/564133104.db2.gz FWEKJCQEKAGYDH-UHFFFAOYSA-N 0 0 338.414 4.900 50 30 EJEARN C/C(=N\OC(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)no1 ZINC000012350737 564135199 /nfs/dbraw/zinc/13/51/99/564135199.db2.gz PNKFUNKBBABRLL-UDWIEESQSA-N 0 0 340.766 4.576 50 30 EJEARN CC(=O)NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000328589030 564136673 /nfs/dbraw/zinc/13/66/73/564136673.db2.gz YKXMBPVOXFAPIZ-UHFFFAOYSA-N 0 0 334.778 4.579 50 30 EJEARN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@H](C)c1ccccn1 ZINC000328590128 564136703 /nfs/dbraw/zinc/13/67/03/564136703.db2.gz IUATYRKWDIGWRI-CABCVRRESA-N 0 0 336.439 4.833 50 30 EJEARN CC1(C)CCCC[C@H]1CC(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329492181 564138097 /nfs/dbraw/zinc/13/80/97/564138097.db2.gz ZOCWGDOMJPGYEP-ZDUSSCGKSA-N 0 0 337.489 4.627 50 30 EJEARN COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2ncc(C)o2)cc1 ZINC000390833916 564138855 /nfs/dbraw/zinc/13/88/55/564138855.db2.gz OTAUUTXWSKOCQY-AWEZNQCLSA-N 0 0 349.390 4.829 50 30 EJEARN N#CCCSc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000095953451 564142409 /nfs/dbraw/zinc/14/24/09/564142409.db2.gz HAUKWGRUKBEIKX-UHFFFAOYSA-N 0 0 348.830 4.666 50 30 EJEARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1SCCC#N ZINC000095953490 564142429 /nfs/dbraw/zinc/14/24/29/564142429.db2.gz YZZNMOJBUNBRHC-CQSZACIVSA-N 0 0 342.489 4.812 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nnc(C3CC3)s2)c1 ZINC000028250410 564150869 /nfs/dbraw/zinc/15/08/69/564150869.db2.gz LCCJASLCLAMKJV-UHFFFAOYSA-N 0 0 342.468 4.505 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)cc1 ZINC000002713908 564152161 /nfs/dbraw/zinc/15/21/61/564152161.db2.gz CWHCDXAEXUSSFN-UHFFFAOYSA-N 0 0 348.214 4.727 50 30 EJEARN C=CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000003183880 564155765 /nfs/dbraw/zinc/15/57/65/564155765.db2.gz FBTNQSRMVVXCOV-UHFFFAOYSA-N 0 0 327.236 4.555 50 30 EJEARN C#CCOc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000030781291 564157735 /nfs/dbraw/zinc/15/77/35/564157735.db2.gz ZCSVJYWBZRLXFL-BWAGFHJFSA-N 0 0 333.431 4.642 50 30 EJEARN C[C@H](c1nc2ccccc2s1)N(C)Cc1cn2ccccc2c1C#N ZINC000058434129 564159158 /nfs/dbraw/zinc/15/91/58/564159158.db2.gz QCHFTTPXPYRVJD-CQSZACIVSA-N 0 0 346.459 4.614 50 30 EJEARN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000263422353 564161633 /nfs/dbraw/zinc/16/16/33/564161633.db2.gz PGGWVVHPTSNDCJ-BSFYPJFYSA-N 0 0 348.446 4.519 50 30 EJEARN N#Cc1ccccc1CSc1ncc(C(F)(F)F)cc1Cl ZINC000007990839 564162036 /nfs/dbraw/zinc/16/20/36/564162036.db2.gz FIJXOVTVBURPDH-UHFFFAOYSA-N 0 0 328.746 4.918 50 30 EJEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)cc1 ZINC000008323927 564164405 /nfs/dbraw/zinc/16/44/05/564164405.db2.gz DELYUVFVVQETDG-JLHYYAGUSA-N 0 0 345.402 4.727 50 30 EJEARN N#Cc1c(NC(=O)c2ccc3c4c(cccc42)CC3)sc2c1CCC2 ZINC000008379859 564164806 /nfs/dbraw/zinc/16/48/06/564164806.db2.gz VULQNKXKXXPBKR-UHFFFAOYSA-N 0 0 344.439 4.613 50 30 EJEARN COc1cccc(/C=C/c2nc(C#N)c(NCc3ccc(C)cc3)o2)c1 ZINC000008550097 564165672 /nfs/dbraw/zinc/16/56/72/564165672.db2.gz WHPMABBXQDTBMS-ZHACJKMWSA-N 0 0 345.402 4.646 50 30 EJEARN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCc1ccc(F)cc1 ZINC000008654547 564166236 /nfs/dbraw/zinc/16/62/36/564166236.db2.gz KTDZOFLZHQVEOL-BJMVGYQFSA-N 0 0 337.329 4.607 50 30 EJEARN C[C@@H](C#N)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000008711042 564166636 /nfs/dbraw/zinc/16/66/36/564166636.db2.gz IYURREFXYQSMDX-QMMMGPOBSA-N 0 0 339.367 4.705 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2ccccc2Br)cc1 ZINC000051318853 214088517 /nfs/dbraw/zinc/08/85/17/214088517.db2.gz QBHBPKAKUBDLSM-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN C#CCOc1ccc(CNc2cc(Cl)ccc2C)cc1OCC ZINC000004681511 210245949 /nfs/dbraw/zinc/24/59/49/210245949.db2.gz IHRLITKVTIDNRK-UHFFFAOYSA-N 0 0 329.827 4.671 50 30 EJEARN CCNc1ccccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1=O ZINC000004667379 210241553 /nfs/dbraw/zinc/24/15/53/210241553.db2.gz VQYDOONYRPWYBI-BQYQJAHWSA-N 0 0 348.229 4.682 50 30 EJEARN CCCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976979 219065940 /nfs/dbraw/zinc/06/59/40/219065940.db2.gz QMFBDNMCVBKPLS-GFCCVEGCSA-N 0 0 345.742 4.548 50 30 EJEARN N#Cc1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2 ZINC000004611933 210231626 /nfs/dbraw/zinc/23/16/26/210231626.db2.gz HZTVMUPFFFOFAU-GUTXKFCHSA-N 0 0 328.481 4.653 50 30 EJEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000004591022 210229582 /nfs/dbraw/zinc/22/95/82/210229582.db2.gz LLNLBQFIGSRPAU-PKNBQFBNSA-N 0 0 334.188 4.787 50 30 EJEARN CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000004517402 210210808 /nfs/dbraw/zinc/21/08/08/210210808.db2.gz YBTXXZPSKICUDW-NSHDSACASA-N 0 0 342.489 4.719 50 30 EJEARN COc1ccc(NC2=C(C(=O)c3ccccc3)C(=O)CC(C)(C)C2)cc1 ZINC000100142093 219092773 /nfs/dbraw/zinc/09/27/73/219092773.db2.gz OEQHRLWAIWQKNN-UHFFFAOYSA-N 0 0 349.430 4.633 50 30 EJEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(F)c(F)c3)c2c1 ZINC000064438765 214785060 /nfs/dbraw/zinc/78/50/60/214785060.db2.gz DXJBCFFDJNFVAO-UHFFFAOYSA-N 0 0 325.318 4.527 50 30 EJEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000004458994 210194808 /nfs/dbraw/zinc/19/48/08/210194808.db2.gz OMEDJSNQXNWYLT-XDHOZWIPSA-N 0 0 338.392 4.554 50 30 EJEARN C/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000100922859 219111935 /nfs/dbraw/zinc/11/19/35/219111935.db2.gz RYRYVAGYAXWNMO-KEBDBYFISA-N 0 0 330.218 4.895 50 30 EJEARN COc1cccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 ZINC000101093596 219115870 /nfs/dbraw/zinc/11/58/70/219115870.db2.gz JUTXCBDQSFLYBU-UHFFFAOYSA-N 0 0 327.383 4.872 50 30 EJEARN Cc1cccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)c1 ZINC000101203198 219118996 /nfs/dbraw/zinc/11/89/96/219118996.db2.gz QZBQADFPUZPYPG-OEAKJJBVSA-N 0 0 339.398 4.649 50 30 EJEARN C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccs1 ZINC000004263003 210154552 /nfs/dbraw/zinc/15/45/52/210154552.db2.gz KNFIUGSXUFCRCW-MDZDMXLPSA-N 0 0 326.446 4.730 50 30 EJEARN Cc1sc(N=NCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000004043888 210107258 /nfs/dbraw/zinc/10/72/58/210107258.db2.gz VCUABMYXDTZXSY-YBFXNURJSA-N 0 0 327.840 4.640 50 30 EJEARN Cc1nc2ccccn2c1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000004003142 210098869 /nfs/dbraw/zinc/09/88/69/210098869.db2.gz BXGXSQQTGMPLIK-CMDGGOBGSA-N 0 0 331.202 4.846 50 30 EJEARN COc1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O ZINC000102423456 219202648 /nfs/dbraw/zinc/20/26/48/219202648.db2.gz FBGRXFUHYJCOQQ-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN COc1cc(/C=C2\CCc3ccccc3C2=O)cc(Cl)c1OC ZINC000003546984 210051700 /nfs/dbraw/zinc/05/17/00/210051700.db2.gz CRSQDXKSDXZGJV-NTEUORMPSA-N 0 0 328.795 4.570 50 30 EJEARN N#Cc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000014682978 201939610 /nfs/dbraw/zinc/93/96/10/201939610.db2.gz KPFCUHTWVACNFB-UHFFFAOYSA-N 0 0 336.410 4.672 50 30 EJEARN N#CCC[C@@](C#N)(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000003133346 209968796 /nfs/dbraw/zinc/96/87/96/209968796.db2.gz LMSIWMHGLSBNSJ-MRXNPFEDSA-N 0 0 349.743 4.867 50 30 EJEARN CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCC#N)cc21 ZINC000068755334 215331350 /nfs/dbraw/zinc/33/13/50/215331350.db2.gz BIXHQXWCUNKDJU-UHFFFAOYSA-N 0 0 338.794 4.697 50 30 EJEARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2cccnc2)S1 ZINC000039886189 213243637 /nfs/dbraw/zinc/24/36/37/213243637.db2.gz GSSRMGYBEFUMJL-QPEQYQDCSA-N 0 0 349.337 4.628 50 30 EJEARN N#Cc1c(N)c2c(cc1-c1ccc(Cl)cc1)c1ccccc1oc2=O ZINC000001036634 209702891 /nfs/dbraw/zinc/70/28/91/209702891.db2.gz VYRRXADYKNRWOP-UHFFFAOYSA-N 0 0 346.773 4.720 50 30 EJEARN C=CCc1c2c(ccc1O)n(-c1ccc(OC)cc1)c(C)c2C(C)=O ZINC000038493320 213211635 /nfs/dbraw/zinc/21/16/35/213211635.db2.gz CDHQGIJYCVZSIA-UHFFFAOYSA-N 0 0 335.403 4.584 50 30 EJEARN CCc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000020432554 202041749 /nfs/dbraw/zinc/04/17/49/202041749.db2.gz KCUOUANEPKQSJT-HOFJZWJUSA-N 0 0 345.486 4.793 50 30 EJEARN CCCCN(C)c1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020828826 202056127 /nfs/dbraw/zinc/05/61/27/202056127.db2.gz LNNKRWDAVMQCIQ-UHFFFAOYSA-N 0 0 349.478 4.708 50 30 EJEARN N#Cc1ccccc1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000022064162 202078293 /nfs/dbraw/zinc/07/82/93/202078293.db2.gz CZEUNSAKBRGIGG-IBGZPJMESA-N 0 0 336.485 4.829 50 30 EJEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3ccc(CC)cc32)cc1 ZINC000023119213 202098174 /nfs/dbraw/zinc/09/81/74/202098174.db2.gz ZFNCHIBEMWCILA-UHFFFAOYSA-N 0 0 345.402 4.589 50 30 EJEARN O=C1/C(=C\c2cccs2)C[C@H]2C[C@@H]1C/C(=C/c1cccs1)C2=O ZINC000032077956 202220495 /nfs/dbraw/zinc/22/04/95/202220495.db2.gz BPNRNVSTFMGATC-ZMGGSOIXSA-N 0 0 340.469 4.845 50 30 EJEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N(C)c2ccccc2)n1 ZINC000033325306 202258578 /nfs/dbraw/zinc/25/85/78/202258578.db2.gz APRODKLUZVYYPE-UHFFFAOYSA-N 0 0 346.459 4.814 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000033391900 212934201 /nfs/dbraw/zinc/93/42/01/212934201.db2.gz WWPKUGQERABLTG-UMOFNEFHSA-N 0 0 346.426 4.562 50 30 EJEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)cc1C ZINC000033027032 212889804 /nfs/dbraw/zinc/88/98/04/212889804.db2.gz IBRTYHBRKQSGJZ-UHFFFAOYSA-N 0 0 349.390 4.576 50 30 EJEARN O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccc(F)cc1 ZINC000000315512 209533020 /nfs/dbraw/zinc/53/30/20/209533020.db2.gz WLBQRJDLXXBOIK-QGMBQPNBSA-N 0 0 327.142 4.715 50 30 EJEARN N#CC(C#N)=NNc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000000140555 209446525 /nfs/dbraw/zinc/44/65/25/209446525.db2.gz PDHJSKPUKVCJAV-UHFFFAOYSA-N 0 0 331.162 4.601 50 30 EJEARN C=C(C)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000000123054 209436734 /nfs/dbraw/zinc/43/67/34/209436734.db2.gz ZJWMEFOXGYNCTN-UHFFFAOYSA-N 0 0 342.489 4.732 50 30 EJEARN O=C(Oc1ccc(/C=N/c2ccc(F)cc2)cc1)c1cccs1 ZINC000000064518 209397527 /nfs/dbraw/zinc/39/75/27/209397527.db2.gz GXTOXTWQEQWYJI-UDWIEESQSA-N 0 0 325.364 4.857 50 30 EJEARN COc1ccc(/N=C/c2c(O)ccc3ccccc32)c2ncccc12 ZINC000000063404 209396339 /nfs/dbraw/zinc/39/63/39/209396339.db2.gz WDAWHBXZACTWTN-YDZHTSKRSA-N 0 0 328.371 4.853 50 30 EJEARN Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000063768 209395783 /nfs/dbraw/zinc/39/57/83/209395783.db2.gz HECWVXVNBSXDQB-WSDLNYQXSA-N 0 0 334.341 4.762 50 30 EJEARN O=C1CCCC2=C1[C@H](c1cccnc1)Nc1ccc3ccccc3c12 ZINC000000049965 209390346 /nfs/dbraw/zinc/39/03/46/209390346.db2.gz TYGYPMLJUCPRRL-QFIPXVFZSA-N 0 0 326.399 4.908 50 30 EJEARN Clc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1Br ZINC000000046403 209389670 /nfs/dbraw/zinc/38/96/70/209389670.db2.gz IOFGZAPXOLKLSQ-REZTVBANSA-N 0 0 338.588 4.582 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1 ZINC000051318857 202638999 /nfs/dbraw/zinc/63/89/99/202638999.db2.gz YOMDVHSDVLFRKQ-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN Cc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O ZINC000023609127 212384045 /nfs/dbraw/zinc/38/40/45/212384045.db2.gz QKPRNJMTFDFWFJ-ODPUSEOTSA-N 0 0 349.386 4.747 50 30 EJEARN Cc1cc(C)c2c(n1)sc1c2c(C#N)c(N)nc1-c1ccccc1 ZINC000021964582 212266477 /nfs/dbraw/zinc/26/64/77/212266477.db2.gz ADYVUQWQEPXKTR-UHFFFAOYSA-N 0 0 330.416 4.582 50 30 EJEARN N#Cc1cnn2c1N[C@H](c1ccc3ccccc3c1)C[C@@H]2C(F)(F)F ZINC000002747945 201542500 /nfs/dbraw/zinc/54/25/00/201542500.db2.gz KTMODFAARXPDQS-JKSUJKDBSA-N 0 0 342.324 4.568 50 30 EJEARN c1csc(CN=Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000004335474 201598644 /nfs/dbraw/zinc/59/86/44/201598644.db2.gz DEHRCRBMRIHKNC-KEBDBYFISA-N 0 0 336.445 4.866 50 30 EJEARN O=C1C=C(c2ccccc2)C[C@H](c2ccc(Br)cc2)C1 ZINC000004784192 201618118 /nfs/dbraw/zinc/61/81/18/201618118.db2.gz SORBLNXFXQCLRW-INIZCTEOSA-N 0 0 327.221 4.979 50 30 EJEARN COc1ccc2cc(C(=O)/C=C/c3ccc(NC(C)=O)cc3)ccc2c1 ZINC000005128965 201640047 /nfs/dbraw/zinc/64/00/47/201640047.db2.gz SSGNUMTWCSEALO-LFYBBSHMSA-N 0 0 345.398 4.703 50 30 EJEARN C=CCN1C(=O)/C(=N\c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000005382766 201649717 /nfs/dbraw/zinc/64/97/17/201649717.db2.gz YHFSSVLGIARFQM-SILNSSARSA-N 0 0 331.202 4.647 50 30 EJEARN Cc1[nH]c2ccccc2c1C1=NN/C(=N\c2ccccc2C)SC1 ZINC000005896195 201666075 /nfs/dbraw/zinc/66/60/75/201666075.db2.gz CQDPKMBULQZBSW-UHFFFAOYSA-N 0 0 334.448 4.513 50 30 EJEARN N#Cc1c(NCc2ccccc2)nc(-c2ccco2)c2c1CCCC2 ZINC000020827674 212175273 /nfs/dbraw/zinc/17/52/73/212175273.db2.gz WMBJRKRCRMHYIN-UHFFFAOYSA-N 0 0 329.403 4.704 50 30 EJEARN CC(C)Cc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000020790720 212172851 /nfs/dbraw/zinc/17/28/51/212172851.db2.gz OJZQVIQVFHFYHB-UHFFFAOYSA-N 0 0 341.499 4.748 50 30 EJEARN Cc1sc(NC(=O)CCc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000020607715 212153397 /nfs/dbraw/zinc/15/33/97/212153397.db2.gz YOLIPDHEVADVHH-UHFFFAOYSA-N 0 0 326.465 4.931 50 30 EJEARN CC(C)N1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000020115299 212103160 /nfs/dbraw/zinc/10/31/60/212103160.db2.gz VRUHLKTXANSXQL-RRFADNKVSA-N 0 0 329.490 4.570 50 30 EJEARN O=C(/C=C/c1ccccn1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000095921745 203769427 /nfs/dbraw/zinc/76/94/27/203769427.db2.gz DQMBLJVEZFPOEK-CMDGGOBGSA-N 0 0 326.808 4.755 50 30 EJEARN COc1ccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 ZINC000102096081 204032125 /nfs/dbraw/zinc/03/21/25/204032125.db2.gz POYVRXKSUUEESG-DDYOIZNJSA-N 0 0 327.383 4.796 50 30 EJEARN COc1cc(OC)c(Nc2c(C#N)cnc3ccccc32)cc1Cl ZINC000016943080 211942019 /nfs/dbraw/zinc/94/20/19/211942019.db2.gz ZFUCKIQLSDOSDR-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN Cc1cc(C)c(C#N)c(Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000000278513 206223950 /nfs/dbraw/zinc/22/39/50/206223950.db2.gz RFDRILKUZGAASP-UHFFFAOYSA-N 0 0 325.721 4.986 50 30 EJEARN N#CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000013787156 211639583 /nfs/dbraw/zinc/63/95/83/211639583.db2.gz HSVPRDLFGBCNSO-SXGWCWSVSA-N 0 0 346.169 4.512 50 30 EJEARN Cc1ccc(F)cc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000008848554 211010551 /nfs/dbraw/zinc/01/05/51/211010551.db2.gz PJKUCADTODMRKN-UHFFFAOYSA-N 0 0 329.374 4.786 50 30 EJEARN Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000008782192 211006809 /nfs/dbraw/zinc/00/68/09/211006809.db2.gz DEMAAQLFLVAYPH-INIZCTEOSA-N 0 0 341.842 4.572 50 30 EJEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1 ZINC000006927208 210745209 /nfs/dbraw/zinc/74/52/09/210745209.db2.gz LICHPXBTCADKIW-UKTHLTGXSA-N 0 0 349.242 4.885 50 30 EJEARN C[C@H]1CC(=O)C=C(Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000005211404 210413631 /nfs/dbraw/zinc/41/36/31/210413631.db2.gz JEUZIJZJTXZRQZ-CQSZACIVSA-N 0 0 335.407 4.625 50 30 EJEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)C12CCCCCC2 ZINC000005055018 210377331 /nfs/dbraw/zinc/37/73/31/210377331.db2.gz FYRXOFMOCYBNBC-AZRLCKCBSA-N 0 0 336.479 4.776 50 30 EJEARN C=CC/N=c1\sc2c(n1-c1ccc(C)cc1)-c1ccccc1CC2 ZINC000005051549 210375541 /nfs/dbraw/zinc/37/55/41/210375541.db2.gz LNERMLLZURZELE-DQRAZIAOSA-N 0 0 332.472 4.700 50 30 EJEARN Cc1nn(C(C)(C)C)c2c1[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000004979914 210346931 /nfs/dbraw/zinc/34/69/31/210346931.db2.gz IAOQGOMQXBOUED-KRWDZBQOSA-N 0 0 341.480 4.573 50 30 EJEARN Cc1nn(C(C)(C)C)c2c1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000004979913 210346377 /nfs/dbraw/zinc/34/63/77/210346377.db2.gz IAOQGOMQXBOUED-QGZVFWFLSA-N 0 0 341.480 4.573 50 30 EJEARN C=CCSC1=N/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)S1 ZINC000004845227 210298212 /nfs/dbraw/zinc/29/82/12/210298212.db2.gz ILTGOPRKGFQCDK-UVTDQMKNSA-N 0 0 345.420 4.975 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1cc(Br)cs1)C2=O ZINC000004826585 210289610 /nfs/dbraw/zinc/28/96/10/210289610.db2.gz GFUQDAMXWZSRBB-YRNVUSSQSA-N 0 0 349.249 4.732 50 30 EJEARN C=CCOc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000004806856 210282364 /nfs/dbraw/zinc/28/23/64/210282364.db2.gz JGHWUEHQCPRKGT-MRXNPFEDSA-N 0 0 335.447 4.621 50 30 EJEARN CCNc1ccccc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1=O ZINC000097474757 219028444 /nfs/dbraw/zinc/02/84/44/219028444.db2.gz ILJUUQOXEQAQMW-KHPPLWFESA-N 0 0 348.229 4.682 50 30 EJEARN Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccnc3)cc2)cc1 ZINC000004797673 210280287 /nfs/dbraw/zinc/28/02/87/210280287.db2.gz XLHNHOAQEXCUNV-AWNIVKPZSA-N 0 0 342.398 4.538 50 30 EJEARN CCC(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N ZINC000004750408 210270938 /nfs/dbraw/zinc/27/09/38/210270938.db2.gz UGJFJBRNFVRDJP-UHFFFAOYSA-N 0 0 325.220 4.942 50 30 EJEARN Cc1cccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2C)c1 ZINC000118173080 221129659 /nfs/dbraw/zinc/12/96/59/221129659.db2.gz FALWBDAVQUOKMR-CQSZACIVSA-N 0 0 334.448 4.516 50 30 EJEARN N#Cc1cc(F)cc(Cl)c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000328595394 258043083 /nfs/dbraw/zinc/04/30/83/258043083.db2.gz TXDFCDGDVYQECL-LBPRGKRZSA-N 0 0 343.745 4.714 50 30 EJEARN CC(C)c1noc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000328587308 258045911 /nfs/dbraw/zinc/04/59/11/258045911.db2.gz ZEEHWCLPXLJKSQ-OAHLLOKOSA-N 0 0 346.434 4.582 50 30 EJEARN C[C@@H](NCc1ncc(C2CC2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587212 258046132 /nfs/dbraw/zinc/04/61/32/258046132.db2.gz HOWKEOQIDNXFKZ-OAHLLOKOSA-N 0 0 343.430 4.941 50 30 EJEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(F)cc1 ZINC000002223795 258017151 /nfs/dbraw/zinc/01/71/51/258017151.db2.gz WBEIPPCBZNFUDV-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ccc(F)cc2)c1 ZINC000000106531 258017570 /nfs/dbraw/zinc/01/75/70/258017570.db2.gz GXQGRLNCCXLNKG-UHFFFAOYSA-N 0 0 340.442 4.636 50 30 EJEARN CCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(C)cc2)cc1 ZINC000002290620 258049701 /nfs/dbraw/zinc/04/97/01/258049701.db2.gz PRTQRJRJTYPAFD-HMMYKYKNSA-N 0 0 349.430 4.909 50 30 EJEARN CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256438890 258073541 /nfs/dbraw/zinc/07/35/41/258073541.db2.gz JYYRDDFNMDZIIP-JTFLOQLGSA-N 0 0 328.496 4.970 50 30 EJEARN Clc1ccc(N2CCN(/N=C/c3cccc4ccccc34)CC2)cc1 ZINC000001740063 135656106 /nfs/dbraw/zinc/65/61/06/135656106.db2.gz UUVMUEFUTNKDEB-XQNSMLJCSA-N 0 0 349.865 4.649 50 30 EJEARN C=CCNc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N ZINC000033027070 518968137 /nfs/dbraw/zinc/96/81/37/518968137.db2.gz BFCFUQVFJBOOBG-UHFFFAOYSA-N 0 0 349.390 4.600 50 30 EJEARN C=CCOc1c(Cl)cc(CNc2ccc(N(C)C)cc2)cc1OC ZINC000004649739 519005745 /nfs/dbraw/zinc/00/57/45/519005745.db2.gz VYCYWJUKSYFPKJ-UHFFFAOYSA-N 0 0 346.858 4.592 50 30 EJEARN C=CCc1ccc(OCCCCOc2ccc(F)cc2)c(OC)c1 ZINC000002986843 519135638 /nfs/dbraw/zinc/13/56/38/519135638.db2.gz IATVBZYNPBPOQE-UHFFFAOYSA-N 0 0 330.399 4.801 50 30 EJEARN C=CCc1ccc(OCCCOc2ccc(C)c(C)c2)c(OC)c1 ZINC000002985930 519136640 /nfs/dbraw/zinc/13/66/40/519136640.db2.gz UCSRZJUQEJZBAV-UHFFFAOYSA-N 0 0 326.436 4.888 50 30 EJEARN C=CCc1ccc(O[C@H](C)c2nc3cc(F)ccc3[nH]2)c(OC)c1 ZINC000021658889 519141070 /nfs/dbraw/zinc/14/10/70/519141070.db2.gz ROSPLSLCFOQUHS-GFCCVEGCSA-N 0 0 326.371 4.579 50 30 biogenic EJEARN C=CCc1ccccc1OCc1ccc(C(=O)N2CCCCCC2)o1 ZINC000028234436 519146786 /nfs/dbraw/zinc/14/67/86/519146786.db2.gz WFTBWPMZZIBYNM-UHFFFAOYSA-N 0 0 339.435 4.603 50 30 EJEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000004196781 519244384 /nfs/dbraw/zinc/24/43/84/519244384.db2.gz OIRDIJSZGZQIKU-UHFFFAOYSA-N 0 0 325.412 4.563 50 30 EJEARN CCCCCCCCC[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000003115086 520029323 /nfs/dbraw/zinc/02/93/23/520029323.db2.gz CXNATEZOVVRARQ-OALUTQOASA-N 0 0 342.483 4.949 50 30 biogenic EJEARN COc1cc(C(=O)/C=C\c2ccc3ccccc3c2)cc(OC)c1OC ZINC000033473862 522053283 /nfs/dbraw/zinc/05/32/83/522053283.db2.gz GNRAEXLCGFMDGE-LUAWRHEFSA-N 0 0 348.398 4.762 50 30 EJEARN COc1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000004697237 524379664 /nfs/dbraw/zinc/37/96/64/524379664.db2.gz ZIAUYCKZSSLION-ZRDIBKRKSA-N 0 0 331.799 4.556 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000254347132 524568536 /nfs/dbraw/zinc/56/85/36/524568536.db2.gz FRCNDHZJYALSFS-RQEUSYDHSA-N 0 0 328.496 4.539 50 30 EJEARN Cc1cccc(Nc2nnc(SCc3cccc(C#N)c3)s2)c1 ZINC000006057596 524704154 /nfs/dbraw/zinc/70/41/54/524704154.db2.gz OQZRWGNDKPYWIJ-UHFFFAOYSA-N 0 0 338.461 4.754 50 30 EJEARN Cc1ccc(N(CCC#N)C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000003515008 524897001 /nfs/dbraw/zinc/89/70/01/524897001.db2.gz KVZCYSBPFYKHQG-UHFFFAOYSA-N 0 0 344.867 4.687 50 30 EJEARN Cc1ccccc1CO/N=C/c1ccc(Oc2ccc(F)cc2)nc1 ZINC000004106354 525171077 /nfs/dbraw/zinc/17/10/77/525171077.db2.gz CCMHKSOISYLLKX-YDZHTSKRSA-N 0 0 336.366 4.872 50 30 EJEARN COc1cccc(/C=C/C(=O)c2ccc(Cl)s2)c1OC(F)F ZINC000008327978 525763730 /nfs/dbraw/zinc/76/37/30/525763730.db2.gz PCHNEUXSYZOQSS-AATRIKPKSA-N 0 0 344.766 4.908 50 30 EJEARN Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 ZINC000005617840 526034389 /nfs/dbraw/zinc/03/43/89/526034389.db2.gz NERKTQZFNARWSS-YJHNQBKESA-N 0 0 337.394 4.595 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccccc2)cc1 ZINC000004992013 527359867 /nfs/dbraw/zinc/35/98/67/527359867.db2.gz PSPSFJNGPLNVJT-KGENOOAVSA-N 0 0 347.374 4.620 50 30 EJEARN O=[N+]([O-])c1ccccc1N=NC(Cc1ccccc1)Cc1ccccc1 ZINC000005020100 527403308 /nfs/dbraw/zinc/40/33/08/527403308.db2.gz SBMYJXMXYAWOCQ-UHFFFAOYSA-N 0 0 345.402 4.848 50 30 EJEARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)c1cccc2ccccc21 ZINC000040059712 527606607 /nfs/dbraw/zinc/60/66/07/527606607.db2.gz FMSVMXUNHOPJEY-XNTDXEJSSA-N 0 0 341.410 4.628 50 30 EJEARN O=C(/C=C/c1ccc(OC(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC000005278894 527616233 /nfs/dbraw/zinc/61/62/33/527616233.db2.gz PEYFTQHWVHBMKD-DTQAZKPQSA-N 0 0 342.394 4.731 50 30 EJEARN O=C(/C=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc(F)cc1 ZINC000004118303 527617179 /nfs/dbraw/zinc/61/71/79/527617179.db2.gz YUGXOGCFBSPRNI-LFYBBSHMSA-N 0 0 336.318 4.534 50 30 EJEARN O=C(/C=C\c1cccc(OCc2ccccc2F)c1)c1cccnc1 ZINC000096291572 527656543 /nfs/dbraw/zinc/65/65/43/527656543.db2.gz HITGEYFHLMBVIV-KHPPLWFESA-N 0 0 333.362 4.696 50 30 EJEARN O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000005252669 527671440 /nfs/dbraw/zinc/67/14/40/527671440.db2.gz UPWABMACKSSMEA-DNTJNYDQSA-N 0 0 340.181 4.908 50 30 EJEARN O=C1c2ccccc2SC/C1=C/c1ccc(Br)cc1 ZINC000033317448 563973631 /nfs/dbraw/zinc/97/36/31/563973631.db2.gz XBKTZWASAVGDJE-XFXZXTDPSA-N 0 0 331.234 4.821 50 30 EJEARN O=[N+]([O-])c1ccccc1C=Nc1ccc(Br)c(Cl)c1 ZINC000252461032 564118724 /nfs/dbraw/zinc/11/87/24/564118724.db2.gz KALCAHZKOVQPIH-UHFFFAOYSA-N 0 0 339.576 4.761 50 30 EJEARN CCCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000057411902 564153993 /nfs/dbraw/zinc/15/39/93/564153993.db2.gz FWUQUMPMDQBRHZ-XDHOZWIPSA-N 0 0 348.240 4.563 50 30 EJEARN N#Cc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000136688 563240543 /nfs/dbraw/zinc/24/05/43/563240543.db2.gz BDMNZPSEUPJBJP-HZHRSRAPSA-N 0 0 325.371 4.561 50 30 EJEARN CC1(C)CCc2cc(/C=N/OC(=O)c3cccc(Cl)c3)ccc2O1 ZINC000000149324 563245767 /nfs/dbraw/zinc/24/57/67/563245767.db2.gz KVQDASDHVPZKCU-CIAFOILYSA-N 0 0 343.810 4.635 50 30 EJEARN O=C1c2ccccc2C(=O)C1=CNc1ccccc1Oc1ccccc1 ZINC000000435526 563312862 /nfs/dbraw/zinc/31/28/62/563312862.db2.gz GHHTUHYWWMOPJG-UHFFFAOYSA-N 0 0 341.366 4.854 50 30 EJEARN Cc1ccc(NC=C2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000441389 563313871 /nfs/dbraw/zinc/31/38/71/563313871.db2.gz XPBSDDXZBNXAFV-UHFFFAOYSA-N 0 0 339.822 4.660 50 30 EJEARN Nc1ccccc1NC1=CC(=O)C[C@H](c2c(F)cccc2Cl)C1 ZINC000001382811 563384635 /nfs/dbraw/zinc/38/46/35/563384635.db2.gz CFJPTGZKEFDISY-LLVKDONJSA-N 0 0 330.790 4.504 50 30 EJEARN Cc1cc(O)ccc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000002562076 563441854 /nfs/dbraw/zinc/44/18/54/563441854.db2.gz ZSFFZHLLKAQSQU-UHFFFAOYSA-N 0 0 327.383 4.877 50 30 EJEARN Cc1ccc(C)c(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000004561365 563505345 /nfs/dbraw/zinc/50/53/45/563505345.db2.gz FDKWYMDCNSPACL-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000004578501 563505765 /nfs/dbraw/zinc/50/57/65/563505765.db2.gz ABQBCEFOABFECY-KGENOOAVSA-N 0 0 347.374 4.620 50 30 EJEARN C(=N/N=C(\Cc1ccccc1)c1nc2ccccc2[nH]1)\c1cccs1 ZINC000005018679 563518981 /nfs/dbraw/zinc/51/89/81/563518981.db2.gz MHCLYQQSNVEUBZ-FIXAYNGVSA-N 0 0 344.443 4.690 50 30 EJEARN CC1(C)CC(=O)C(Cl)=C(Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000005190281 563522474 /nfs/dbraw/zinc/52/24/74/563522474.db2.gz UPZQACVYGNRDLU-UHFFFAOYSA-N 0 0 333.737 4.837 50 30 EJEARN COc1ccc(NC(C)=CC(=O)c2ccc(Br)cc2)cc1 ZINC000006492571 563569864 /nfs/dbraw/zinc/56/98/64/563569864.db2.gz CBGNQLGZLNOBEZ-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN N#Cc1cccc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000004494966 563734234 /nfs/dbraw/zinc/73/42/34/563734234.db2.gz ZDQHYKICJRQYFI-UHFFFAOYSA-N 0 0 347.395 4.536 50 30 EJEARN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(N=[N+]=[N-])c21 ZINC000015240217 563780385 /nfs/dbraw/zinc/78/03/85/563780385.db2.gz SQKSFKFHJMCYTO-UHFFFAOYSA-N 0 0 345.340 4.861 50 30 EJEARN N#Cc1ccc(Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)nc1 ZINC000032907711 563799735 /nfs/dbraw/zinc/79/97/35/563799735.db2.gz JNMWJMXPNPWJJS-UHFFFAOYSA-N 0 0 340.338 4.519 50 30 EJEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3sccc3C)S2)cc1 ZINC000016161375 563805095 /nfs/dbraw/zinc/80/50/95/563805095.db2.gz DPOBPRJEXMVBOU-GDNBJRDFSA-N 0 0 328.462 4.511 50 30 EJEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1 ZINC000017071247 563834220 /nfs/dbraw/zinc/83/42/20/563834220.db2.gz JFQMFQZKSTXVSI-CUNGHOPLSA-N 0 0 340.423 4.622 50 30 EJEARN Cc1ccc(C=NNc2nc3ccccc3s2)cc1Br ZINC000017072050 563835297 /nfs/dbraw/zinc/83/52/97/563835297.db2.gz YJRUJZKNZCGYBB-RQZCQDPDSA-N 0 0 346.253 4.813 50 30 EJEARN O=C1c2ccccc2N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1O ZINC000000374661 563841563 /nfs/dbraw/zinc/84/15/63/563841563.db2.gz SJAKAIYFDMPRAR-QGZVFWFLSA-N 0 0 340.766 4.556 50 30 aggregator EJEARN CC(C)(C)c1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1 ZINC000017722087 563845492 /nfs/dbraw/zinc/84/54/92/563845492.db2.gz CODAHMXFXKOGIN-ZPHPHTNESA-N 0 0 344.505 4.809 50 30 EJEARN CCCCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000013471631 563854719 /nfs/dbraw/zinc/85/47/19/563854719.db2.gz JBLYTERERKDYNI-UHFFFAOYSA-N 0 0 349.478 4.759 50 30 EJEARN Oc1ccc(Br)cc1/C=N/c1cc(F)ccc1Cl ZINC000044835846 563926682 /nfs/dbraw/zinc/92/66/82/563926682.db2.gz GNTMVGIBHFBODP-REZTVBANSA-N 0 0 328.568 4.698 50 30 EJEARN O=C(/C=C/c1cccs1)c1cccc(NC(=O)c2cccs2)c1 ZINC000059432287 563949103 /nfs/dbraw/zinc/94/91/03/563949103.db2.gz IMEUGPFNGUCIQH-CMDGGOBGSA-N 0 0 339.441 4.958 50 30 EJEARN C=CCn1c(-c2ccccc2)csc1=Nc1cccc([N+](=O)[O-])c1 ZINC000254405877 563950469 /nfs/dbraw/zinc/95/04/69/563950469.db2.gz YKTDBFRNXMIPFJ-UHFFFAOYSA-N 0 0 337.404 4.543 50 30 EJEARN N#CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000004661239 563963518 /nfs/dbraw/zinc/96/35/18/563963518.db2.gz NFEPHXYRBZYBTG-UHFFFAOYSA-N 0 0 333.441 4.964 50 30 EJEARN CC(=O)c1cc(C#N)c(SCc2c(F)cccc2Cl)nc1C ZINC000000033031 563967787 /nfs/dbraw/zinc/96/77/87/563967787.db2.gz IBDXAOUSFPJEAS-UHFFFAOYSA-N 0 0 334.803 4.549 50 30 EJEARN C#CCOc1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271146 563971772 /nfs/dbraw/zinc/97/17/72/563971772.db2.gz PTWGPDLHKUZMIL-PMOQBDJRSA-N 0 0 347.458 4.950 50 30 EJEARN N#Cc1ncc(C(F)(F)F)cc1SCc1ccc(Cl)cc1 ZINC000003047566 563973721 /nfs/dbraw/zinc/97/37/21/563973721.db2.gz VFNPRQLWVYZFBK-UHFFFAOYSA-N 0 0 328.746 4.918 50 30 EJEARN CC1(C)CC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccccn2)C(=O)C1 ZINC000000072017 563974398 /nfs/dbraw/zinc/97/43/98/563974398.db2.gz AUPZEDIZUFRANO-FQEVSTJZSA-N 0 0 346.430 4.896 50 30 EJEARN Cc1cc(N[C@@H](C)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000000091835 563976557 /nfs/dbraw/zinc/97/65/57/563976557.db2.gz LEHPBEXQJOWRLI-HNNXBMFYSA-N 0 0 326.403 4.841 50 30 EJEARN Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn32)cc1 ZINC000000094588 563976619 /nfs/dbraw/zinc/97/66/19/563976619.db2.gz GYVCSDJZLBRLNA-KEBDBYFISA-N 0 0 337.766 4.704 50 30 EJEARN N#CC(c1cccc(C(F)(F)F)c1)=C1NC=CC[C@H]1C(F)(F)F ZINC000095921858 563977805 /nfs/dbraw/zinc/97/78/05/563977805.db2.gz MCLQCZOGSQKPGN-VXGBXAGGSA-N 0 0 332.247 4.849 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccc(F)cc2F)o1 ZINC000000097066 563980807 /nfs/dbraw/zinc/98/08/07/563980807.db2.gz QPDICZVHMMMNAS-UHFFFAOYSA-N 0 0 336.293 4.687 50 30 EJEARN CCCCCCCN(C)C(=O)CCC(=O)N(C)CCCCCCC ZINC000100314079 563982546 /nfs/dbraw/zinc/98/25/46/563982546.db2.gz CBEVANLIGJVSHZ-UHFFFAOYSA-N 0 0 340.552 4.624 50 30 EJEARN Cc1ccc(C#N)c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000000104873 563986401 /nfs/dbraw/zinc/98/64/01/563986401.db2.gz NRBDWRSFTFTHJM-UHFFFAOYSA-N 0 0 344.439 4.904 50 30 EJEARN CCOc1ccc(Nc2oc(COc3ccc(C)cc3)nc2C#N)cc1 ZINC000000108472 563986579 /nfs/dbraw/zinc/98/65/79/563986579.db2.gz XBVKICMVWUBALJ-UHFFFAOYSA-N 0 0 349.390 4.576 50 30 EJEARN Cc1ccccc1OCc1nc(C#N)c(N[C@H](C)c2ccccc2)o1 ZINC000000108137 563986594 /nfs/dbraw/zinc/98/65/94/563986594.db2.gz NJJHGWZJVAZUIC-OAHLLOKOSA-N 0 0 333.391 4.607 50 30 EJEARN CC(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000000147628 563987286 /nfs/dbraw/zinc/98/72/86/563987286.db2.gz KNOAICFYFRMGFK-CIAFOILYSA-N 0 0 336.464 4.576 50 30 EJEARN CCC(CC)n1ncc(C(=O)Nc2ccc(CC#N)cc2Cl)c1C ZINC000408519793 563993113 /nfs/dbraw/zinc/99/31/13/563993113.db2.gz ADVOWGWLKYZYRA-UHFFFAOYSA-N 0 0 344.846 4.524 50 30 EJEARN C=C(C)COc1ccc2c(c1)occ(Oc1ccccc1OC)c2=O ZINC000000387288 563993575 /nfs/dbraw/zinc/99/35/75/563993575.db2.gz PXHTZMQPPIJELB-UHFFFAOYSA-N 0 0 338.359 4.549 50 30 biogenic EJEARN C=CCc1cccc(C(C)C)c1NC(=O)N1CCOCC2(CCC2)C1 ZINC000240465799 563995794 /nfs/dbraw/zinc/99/57/94/563995794.db2.gz GAIAUSAIMOVWRQ-UHFFFAOYSA-N 0 0 342.483 4.573 50 30 EJEARN COc1cc(OC)c(C=Nc2cc(C)ccc2C)cc1Br ZINC000252460172 563997646 /nfs/dbraw/zinc/99/76/46/563997646.db2.gz CGOBHFZWVBJQNS-UHFFFAOYSA-N 0 0 348.240 4.834 50 30 EJEARN CCOc1ccc(-c2nc(N=NCc3ccco3)sc2C)cc1 ZINC000252606993 563997971 /nfs/dbraw/zinc/99/79/71/563997971.db2.gz GXEOWQXHALIGNR-UHFFFAOYSA-N 0 0 327.409 4.556 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000000428104 563998866 /nfs/dbraw/zinc/99/88/66/563998866.db2.gz AAFCZIVLTILZBR-IRLDBZIGSA-N 0 0 348.442 4.623 50 30 EJEARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000033924179 564000715 /nfs/dbraw/zinc/00/07/15/564000715.db2.gz AONOLVICTNQFDG-DJWKRKHSSA-N 0 0 335.186 4.661 50 30 EJEARN C=C(C)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 ZINC000005302102 564002455 /nfs/dbraw/zinc/00/24/55/564002455.db2.gz RMAXNEYEHAZTAO-UHFFFAOYSA-N 0 0 340.492 4.972 50 30 EJEARN O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccc2ccccc2c1 ZINC000005532124 564005127 /nfs/dbraw/zinc/00/51/27/564005127.db2.gz DCDCIRTWTGJZIG-UHFFFAOYSA-N 0 0 344.370 4.766 50 30 EJEARN C=CCC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCC1 ZINC000189107928 564014652 /nfs/dbraw/zinc/01/46/52/564014652.db2.gz NOWMJBLRJDPGHA-UHFFFAOYSA-N 0 0 348.446 4.932 50 30 EJEARN Cc1ccc2c(c1)C(=NNc1ccnc3cc(Cl)ccc31)C(=O)N2 ZINC000012557997 564018602 /nfs/dbraw/zinc/01/86/02/564018602.db2.gz JRDWJTIJJIDXHH-UHFFFAOYSA-N 0 0 336.782 4.614 50 30 EJEARN CCCN(OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)C ZINC000018192193 564018630 /nfs/dbraw/zinc/01/86/30/564018630.db2.gz DIXOAPTVROUTHS-UHFFFAOYSA-N 0 0 349.214 4.714 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/c2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000000502542 564019104 /nfs/dbraw/zinc/01/91/04/564019104.db2.gz NRLNMWNJEGLKCJ-KGENOOAVSA-N 0 0 342.358 4.660 50 30 EJEARN CC[C@H](C)c1ccc2oc(=O)c(CC(=O)c3ccc(C)cc3)nc2c1 ZINC000101355910 564019376 /nfs/dbraw/zinc/01/93/76/564019376.db2.gz NQSJVMPXCJYOBH-QCUKBLKESA-N 0 0 335.403 4.606 50 30 EJEARN Cc1c2ccccc2oc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000510418 564020070 /nfs/dbraw/zinc/02/00/70/564020070.db2.gz PAUYSWNJJJLPMP-UHFFFAOYSA-N 0 0 336.416 4.806 50 30 EJEARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cccc(C#N)c1 ZINC000024458157 564020569 /nfs/dbraw/zinc/02/05/69/564020569.db2.gz ARSFKQASQUWQSJ-LLVKDONJSA-N 0 0 333.218 4.698 50 30 EJEARN N#Cc1nc(/C=C\c2ccccc2)oc1NCc1ccc(Cl)cc1 ZINC000102922858 564020902 /nfs/dbraw/zinc/02/09/02/564020902.db2.gz FVKCUBPHNICHNO-FLIBITNWSA-N 0 0 335.794 4.982 50 30 EJEARN N#Cc1nc(-c2ccccc2F)oc1NCc1ccc(Cl)cc1 ZINC000000536175 564022178 /nfs/dbraw/zinc/02/21/78/564022178.db2.gz IKDVFLNTRHSTBQ-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN N#Cc1c(/N=C/c2ccc(Cl)cc2)sc2c1C1CCN2CC1 ZINC000000562668 564023322 /nfs/dbraw/zinc/02/33/22/564023322.db2.gz QLCJQRGJTXOKTG-KEBDBYFISA-N 0 0 327.840 4.721 50 30 EJEARN Oc1ccc(Br)cc1/C=N/c1ccccc1C(F)(F)F ZINC000044835860 564027277 /nfs/dbraw/zinc/02/72/77/564027277.db2.gz ONLZNYTZHHXCFF-UFWORHAWSA-N 0 0 344.130 4.924 50 30 EJEARN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000044842645 564027369 /nfs/dbraw/zinc/02/73/69/564027369.db2.gz AYCQUARWZALXTM-ONEGZZNKSA-N 0 0 336.174 4.531 50 30 EJEARN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000044842631 564027384 /nfs/dbraw/zinc/02/73/84/564027384.db2.gz JWOOZDBAIJARBK-AATRIKPKSA-N 0 0 336.174 4.531 50 30 EJEARN O=C(C=CNc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000044842640 564027387 /nfs/dbraw/zinc/02/73/87/564027387.db2.gz VIDUAKRFPHNUEJ-AATRIKPKSA-N 0 0 336.174 4.531 50 30 EJEARN COc1cc(NC=CC(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl ZINC000044844249 564027470 /nfs/dbraw/zinc/02/74/70/564027470.db2.gz RFQHNDDLRSCJFB-BQYQJAHWSA-N 0 0 345.826 4.783 50 30 EJEARN CCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000108506738 564028332 /nfs/dbraw/zinc/02/83/32/564028332.db2.gz CVGOXJHDVZVJEC-SAPNQHFASA-N 0 0 348.874 4.825 50 30 EJEARN N#Cc1c(CSc2ccc(Cl)cc2)c(C=O)n2ccccc12 ZINC000048214002 564030061 /nfs/dbraw/zinc/03/00/61/564030061.db2.gz VFADZQIWMBPLOA-UHFFFAOYSA-N 0 0 326.808 4.569 50 30 EJEARN Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000048276580 564030594 /nfs/dbraw/zinc/03/05/94/564030594.db2.gz BPWRQHNADWXFQH-JXMROGBWSA-N 0 0 330.409 4.553 50 30 EJEARN CCOc1ccc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000048311384 564030804 /nfs/dbraw/zinc/03/08/04/564030804.db2.gz GTSDXZXMZKVHRL-NTCAYCPXSA-N 0 0 346.430 4.784 50 30 EJEARN Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)no2)cc1C ZINC000112286568 564031990 /nfs/dbraw/zinc/03/19/90/564031990.db2.gz UMMNXUNAJHADDK-UHFFFAOYSA-N 0 0 345.402 4.519 50 30 EJEARN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccccc1OCc1ccccc1 ZINC000012341095 564034310 /nfs/dbraw/zinc/03/43/10/564034310.db2.gz XVYURBUIQDMTTN-UHFFFAOYSA-N 0 0 342.402 4.588 50 30 EJEARN C=C(C)COc1cc(OCC(=C)C)c2c(CCC)cc(=O)oc2c1 ZINC000002865683 564036031 /nfs/dbraw/zinc/03/60/31/564036031.db2.gz VNCPAELVWIQHBF-UHFFFAOYSA-N 0 0 328.408 4.655 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2 ZINC000000996359 564053825 /nfs/dbraw/zinc/05/38/25/564053825.db2.gz VOCZEQDEGDUZOQ-DHZHZOJOSA-N 0 0 340.423 4.680 50 30 EJEARN Cc1cc(N[C@@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1C(C)C ZINC000004025507 564061208 /nfs/dbraw/zinc/06/12/08/564061208.db2.gz DACJNVAUUQQERU-NRFANRHFSA-N 0 0 330.435 4.981 50 30 EJEARN CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001383042 564063927 /nfs/dbraw/zinc/06/39/27/564063927.db2.gz WFTCKUMGYLMESQ-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN N#Cc1ncc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)cc1 ZINC000001391416 564064397 /nfs/dbraw/zinc/06/43/97/564064397.db2.gz ANQITRAZMQPUDA-UHFFFAOYSA-N 0 0 332.203 4.783 50 30 EJEARN C/C(=N\OCc1ccccc1)c1sc2nc3ccccc3n2c1C ZINC000001394362 564064729 /nfs/dbraw/zinc/06/47/29/564064729.db2.gz CJKACEAHWWVRTQ-FYJGNVAPSA-N 0 0 335.432 4.798 50 30 EJEARN Cc1ccc2c(c1)/C(=N/OC(=O)c1cccc(Cl)c1)CCS2 ZINC000001396258 564064868 /nfs/dbraw/zinc/06/48/68/564064868.db2.gz SSYUXXMZFDSZSY-XDJHFCHBSA-N 0 0 331.824 4.705 50 30 EJEARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C ZINC000084671121 564069566 /nfs/dbraw/zinc/06/95/66/564069566.db2.gz LTWQZVNMZDTDFL-SFTDATJTSA-N 0 0 344.458 4.658 50 30 EJEARN C[C@H](O)C#Cc1cc(Cl)cc2nc(-c3ccccc3Cl)oc21 ZINC000008238614 564072393 /nfs/dbraw/zinc/07/23/93/564072393.db2.gz AAKYWUJQMAQBKX-JTQLQIEISA-N 0 0 332.186 4.534 50 30 EJEARN C=CCc1cc(C=O)cc(OCC)c1OCc1ccccc1Cl ZINC000000454411 564074587 /nfs/dbraw/zinc/07/45/87/564074587.db2.gz VUTYXVLVKAVTEG-UHFFFAOYSA-N 0 0 330.811 4.859 50 30 EJEARN C=CCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1O ZINC000000617402 564074647 /nfs/dbraw/zinc/07/46/47/564074647.db2.gz AJUQPKSBJYBNTO-GFCCVEGCSA-N 0 0 327.815 4.754 50 30 EJEARN C#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)C(=O)OC ZINC000000401610 564075982 /nfs/dbraw/zinc/07/59/82/564075982.db2.gz JLZYRKQPJATDSF-UHFFFAOYSA-N 0 0 347.241 4.571 50 30 EJEARN CC(C)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000016134053 564079763 /nfs/dbraw/zinc/07/97/63/564079763.db2.gz CEOGKFMRGLBESU-UHFFFAOYSA-N 0 0 343.224 4.645 50 30 EJEARN Cc1ccc(Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 ZINC000006261312 564083380 /nfs/dbraw/zinc/08/33/80/564083380.db2.gz WYEYBCULHHOMIM-UHFFFAOYSA-N 0 0 328.371 4.911 50 30 EJEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1 ZINC000012650941 564085016 /nfs/dbraw/zinc/08/50/16/564085016.db2.gz DQTIESPTNSQEGU-UXBLZVDNSA-N 0 0 348.215 4.550 50 30 EJEARN N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000006326923 564085026 /nfs/dbraw/zinc/08/50/26/564085026.db2.gz XKEKAROEDKOXFF-UHFFFAOYSA-N 0 0 327.796 4.554 50 30 EJEARN Clc1ccc(CN=Nc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000252593874 564086940 /nfs/dbraw/zinc/08/69/40/564086940.db2.gz BNTKJDINRCQKQY-UHFFFAOYSA-N 0 0 326.252 4.775 50 30 EJEARN CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000077313111 564089369 /nfs/dbraw/zinc/08/93/69/564089369.db2.gz SVUQHVRAGMNPLW-LJQANCHMSA-N 0 0 344.536 4.754 50 30 in-vitro EJEARN CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000002143 564090412 /nfs/dbraw/zinc/09/04/12/564090412.db2.gz PDMMFKSKQVNJMI-XUCMERPOSA-N 0 0 344.495 4.840 50 30 biogenic EJEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1cccs1 ZINC000006526612 564091460 /nfs/dbraw/zinc/09/14/60/564091460.db2.gz INRYFQOZLMEXKX-MDZDMXLPSA-N 0 0 328.824 4.792 50 30 EJEARN C=CCNC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 ZINC000006790524 564097929 /nfs/dbraw/zinc/09/79/29/564097929.db2.gz SSKQRNBKXUREGD-UHFFFAOYSA-N 0 0 348.471 4.630 50 30 EJEARN C=C(C)CSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000006834365 564099257 /nfs/dbraw/zinc/09/92/57/564099257.db2.gz XNGYERJGQCJKKQ-UHFFFAOYSA-N 0 0 347.509 4.756 50 30 EJEARN N#Cc1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 ZINC000006880870 564100572 /nfs/dbraw/zinc/10/05/72/564100572.db2.gz LKHBFJKLQOWTDO-UHFFFAOYSA-N 0 0 346.361 4.529 50 30 EJEARN N#Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000006889694 564100762 /nfs/dbraw/zinc/10/07/62/564100762.db2.gz UTVUXUYUFYNEGG-UHFFFAOYSA-N 0 0 340.426 4.510 50 30 EJEARN N#Cc1cccc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000170621518 564110223 /nfs/dbraw/zinc/11/02/23/564110223.db2.gz XNPGPIJDVLWXEO-FQEVSTJZSA-N 0 0 331.419 4.632 50 30 EJEARN Cc1cc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O ZINC000071794075 564111147 /nfs/dbraw/zinc/11/11/47/564111147.db2.gz QKPRNJMTFDFWFJ-ICFDZUSXSA-N 0 0 349.386 4.747 50 30 EJEARN O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001440922 564116863 /nfs/dbraw/zinc/11/68/63/564116863.db2.gz RNOYAVJBRJOTFY-HXUWFJFHSA-N 0 0 342.398 4.505 50 30 EJEARN C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000254347122 564118035 /nfs/dbraw/zinc/11/80/35/564118035.db2.gz FRCNDHZJYALSFS-DTHKGXSISA-N 0 0 328.496 4.539 50 30 EJEARN CCCOC(=O)c1ccc(N=Cc2c(O)ccc3ccccc32)cc1 ZINC000252460060 564118659 /nfs/dbraw/zinc/11/86/59/564118659.db2.gz BHHYIJUWASGBAT-UHFFFAOYSA-N 0 0 333.387 4.863 50 30 EJEARN COc1ccccc1C(C)N=Nc1nc(-c2ccccc2)c(C)s1 ZINC000252589673 564120838 /nfs/dbraw/zinc/12/08/38/564120838.db2.gz AMHPTBWDMAKUIJ-UHFFFAOYSA-N 0 0 337.448 4.963 50 30 EJEARN N#CC[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000170658133 564120953 /nfs/dbraw/zinc/12/09/53/564120953.db2.gz MPYHBLWBLJWCSB-CYBMUJFWSA-N 0 0 335.285 4.680 50 30 EJEARN N#Cc1ccc(C=Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000252592212 564120973 /nfs/dbraw/zinc/12/09/73/564120973.db2.gz BDMNZPSEUPJBJP-UHFFFAOYSA-N 0 0 325.371 4.561 50 30 EJEARN CC(=O)Oc1ccc2ccccc2c1C=Nc1cc(Cl)ccc1O ZINC000252616818 564122093 /nfs/dbraw/zinc/12/20/93/564122093.db2.gz KGCGOEHJCJOOAW-UHFFFAOYSA-N 0 0 339.778 4.875 50 30 EJEARN C=CCn1c2ccccc2nc1N=C(C)c1ccc(Cl)cc1O ZINC000252621503 564122886 /nfs/dbraw/zinc/12/28/86/564122886.db2.gz MZZSVNBPNUJWEY-UHFFFAOYSA-N 0 0 325.799 4.722 50 30 EJEARN CC(C)/N=C1\NN=C(c2c[nH]c3ccccc32)[C@@H](c2ccccc2)S1 ZINC000007780942 564123245 /nfs/dbraw/zinc/12/32/45/564123245.db2.gz MKZFVDANAVKKJI-LJQANCHMSA-N 0 0 348.475 4.714 50 30 EJEARN N#Cc1c2c(sc1N=Cc1cc([N+](=O)[O-])ccc1Cl)CCCC2 ZINC000252629382 564123518 /nfs/dbraw/zinc/12/35/18/564123518.db2.gz UETCNRYATOEOAD-UHFFFAOYSA-N 0 0 345.811 4.811 50 30 EJEARN Cc1ccc(N=Cc2cc(C)cc(C=Nc3ccc(C)cn3)c2O)nc1 ZINC000252678297 564124883 /nfs/dbraw/zinc/12/48/83/564124883.db2.gz DHKDPKHYGWLHPJ-UHFFFAOYSA-N 0 0 344.418 4.609 50 30 EJEARN N#Cc1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000000309850 564133117 /nfs/dbraw/zinc/13/31/17/564133117.db2.gz RPGPSGQCVKPALQ-UHFFFAOYSA-N 0 0 330.840 4.794 50 30 EJEARN N#Cc1cccc(NC(=O)OC2c3ccccc3-c3ccccc32)c1 ZINC000299804099 564133151 /nfs/dbraw/zinc/13/31/51/564133151.db2.gz ZFVPOFUALHBVLA-UHFFFAOYSA-N 0 0 326.355 4.877 50 30 EJEARN N#Cc1c2nc3ccccc3n2c(NC2CCCCC2)c2c1CCCC2 ZINC000000520957 564133374 /nfs/dbraw/zinc/13/33/74/564133374.db2.gz NPHJGIXXWBYPGT-UHFFFAOYSA-N 0 0 344.462 4.983 50 30 EJEARN COc1ccc2cc(-c3nn(-c4ccccc4)cc3C#N)ccc2c1 ZINC000000619531 564133512 /nfs/dbraw/zinc/13/35/12/564133512.db2.gz BZRLTZDMZWVJDU-UHFFFAOYSA-N 0 0 325.371 4.573 50 30 EJEARN N#Cc1ccccc1-c1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000426517751 564135084 /nfs/dbraw/zinc/13/50/84/564135084.db2.gz BBDPHPTYTCGHIL-UHFFFAOYSA-N 0 0 330.431 4.632 50 30 EJEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)C(C)C ZINC000328591539 564136729 /nfs/dbraw/zinc/13/67/29/564136729.db2.gz YZZMVEPKZCCJKW-FOIQADDNSA-N 0 0 326.440 4.742 50 30 EJEARN COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2ncc(C)o2)cc1 ZINC000390833917 564138880 /nfs/dbraw/zinc/13/88/80/564138880.db2.gz OTAUUTXWSKOCQY-CQSZACIVSA-N 0 0 349.390 4.829 50 30 EJEARN N#Cc1ccc(CCC(=O)NCc2ccccc2-c2ccsc2)cc1 ZINC000096122918 564145631 /nfs/dbraw/zinc/14/56/31/564145631.db2.gz DXBHEPUNRJAKEM-UHFFFAOYSA-N 0 0 346.455 4.536 50 30 EJEARN CCOc1ccc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000096133964 564145771 /nfs/dbraw/zinc/14/57/71/564145771.db2.gz GTSDXZXMZKVHRL-QINSGFPZSA-N 0 0 346.430 4.784 50 30 EJEARN CC(C)(C)c1nc2cc(NC(=O)[C@@]3(C#N)CC34CCCC4)ccc2o1 ZINC000333218562 564145990 /nfs/dbraw/zinc/14/59/90/564145990.db2.gz REUKMGSHGYJACW-FQEVSTJZSA-N 0 0 337.423 4.538 50 30 EJEARN COc1ccc2nc(Cl)c(/C=C\C(=O)c3ccc(F)cc3)cc2c1 ZINC000096288937 564146411 /nfs/dbraw/zinc/14/64/11/564146411.db2.gz UCFZTPUYKNQWTL-WTKPLQERSA-N 0 0 341.769 4.932 50 30 EJEARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)c1ccc(F)cc1F ZINC000096310794 564146694 /nfs/dbraw/zinc/14/66/94/564146694.db2.gz IRSKGXKXMYJLOW-KTAJNNJTSA-N 0 0 332.733 4.833 50 30 EJEARN COc1cc2c(c(/C=C\C(=O)c3cc4ccccc4o3)c1)O[C@H](C)C2 ZINC000096316196 564146761 /nfs/dbraw/zinc/14/67/61/564146761.db2.gz YPBDJPABXLSYNC-MEJMFZKBSA-N 0 0 334.371 4.661 50 30 EJEARN CCOc1ccc(Nc2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 ZINC000096346050 564146866 /nfs/dbraw/zinc/14/68/66/564146866.db2.gz DBHIOJJMYGKNKW-QZTJIDSGSA-N 0 0 345.402 4.960 50 30 EJEARN CC(/C=C\C(=O)c1cccc(N2CCCC2=O)c1)=C/c1ccccc1 ZINC000096402146 564147137 /nfs/dbraw/zinc/14/71/37/564147137.db2.gz YCCQNOLFLILIKU-IPOUDEIESA-N 0 0 331.415 4.656 50 30 EJEARN COc1cc(/C=C\c2nc3cc(Cl)ccc3o2)ccc1OCC#N ZINC000096403094 564147174 /nfs/dbraw/zinc/14/71/74/564147174.db2.gz KJRKUWZCYJEJQM-CLTKARDFSA-N 0 0 340.766 4.563 50 30 EJEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(C#N)CCC2)cc1Cl ZINC000096411997 564147648 /nfs/dbraw/zinc/14/76/48/564147648.db2.gz CFLKKWRARCTPLT-KRWDZBQOSA-N 0 0 349.821 4.628 50 30 EJEARN N#Cc1ccccc1COc1nnc(-c2ccccc2)c2ccccc21 ZINC000002657041 564152007 /nfs/dbraw/zinc/15/20/07/564152007.db2.gz ZYKGPVYRACKYET-UHFFFAOYSA-N 0 0 337.382 4.747 50 30 EJEARN N#Cc1c2c(sc1NC(=O)c1cccnc1Cl)CCCCCC2 ZINC000002737714 564152311 /nfs/dbraw/zinc/15/23/11/564152311.db2.gz OFFYVUYOHWEBPR-UHFFFAOYSA-N 0 0 345.855 4.579 50 30 EJEARN N#CCSc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1 ZINC000002933034 564153129 /nfs/dbraw/zinc/15/31/29/564153129.db2.gz BCZQYUJUZHUTRX-UHFFFAOYSA-N 0 0 340.839 4.511 50 30 EJEARN CCCCCCCCCc1nc2c(o1)c1ccccc1n(C)c2=O ZINC000002959738 564153808 /nfs/dbraw/zinc/15/38/08/564153808.db2.gz GIKWQDMVUYKWHE-UHFFFAOYSA-N 0 0 326.440 4.973 50 30 EJEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002974775 564153899 /nfs/dbraw/zinc/15/38/99/564153899.db2.gz AUTKBUMHLCNNND-UHFFFAOYSA-N 0 0 340.430 4.994 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000003190022 564155781 /nfs/dbraw/zinc/15/57/81/564155781.db2.gz FCDCOBDXHPEONB-NSHDSACASA-N 0 0 339.218 4.667 50 30 EJEARN CCC(C(=O)Nc1cc(F)ccc1C)(C(F)(F)F)C(F)(F)F ZINC000003188785 564155787 /nfs/dbraw/zinc/15/57/87/564155787.db2.gz ISWRSZVDGYBTKU-UHFFFAOYSA-N 0 0 331.231 4.594 50 30 EJEARN N#Cc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003221482 564156194 /nfs/dbraw/zinc/15/61/94/564156194.db2.gz KGSXBGTUPVFVBS-UHFFFAOYSA-N 0 0 330.771 4.818 50 30 EJEARN C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 ZINC000058305652 564158505 /nfs/dbraw/zinc/15/85/05/564158505.db2.gz JAJSDHKQCDICSC-CYBMUJFWSA-N 0 0 346.390 4.784 50 30 EJEARN CCCOc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1OCCC ZINC000058482229 564159257 /nfs/dbraw/zinc/15/92/57/564159257.db2.gz WQPVKHCSNZLOFI-OAHLLOKOSA-N 0 0 339.439 4.704 50 30 EJEARN Cc1[nH]nc2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004010346 564159993 /nfs/dbraw/zinc/15/99/93/564159993.db2.gz LQYLKYFKOACEGO-MRXNPFEDSA-N 0 0 341.842 4.572 50 30 EJEARN N#Cc1nc(/C=C/c2ccccc2)oc1NCc1ccc(Cl)cc1 ZINC000004186475 564161039 /nfs/dbraw/zinc/16/10/39/564161039.db2.gz FVKCUBPHNICHNO-DHZHZOJOSA-N 0 0 335.794 4.982 50 30 EJEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cc(F)ccc1F ZINC000071798843 564175481 /nfs/dbraw/zinc/17/54/81/564175481.db2.gz OFPOOPAIEOQXBO-WCKMZMOMSA-N 0 0 341.313 4.703 50 30 EJEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccccc2)C1 ZINC000004741837 210266258 /nfs/dbraw/zinc/26/62/58/210266258.db2.gz OKTIHISGPSWLGV-HXUWFJFHSA-N 0 0 343.430 4.694 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2cc(C)c(Cl)cc2OC)cc1 ZINC000051318911 214088699 /nfs/dbraw/zinc/08/86/99/214088699.db2.gz YBDIMZYIMCIUQM-MDZDMXLPSA-N 0 0 345.826 4.864 50 30 EJEARN COc1ccc(/N=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000004737081 210264186 /nfs/dbraw/zinc/26/41/86/210264186.db2.gz GPQWNWCVMCGTIT-UAHNYKDTSA-N 0 0 348.446 4.757 50 30 EJEARN COc1cc(/C=N/c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000004705067 210254379 /nfs/dbraw/zinc/25/43/79/210254379.db2.gz WFFLJMZPFAZCGJ-UDWIEESQSA-N 0 0 336.347 4.516 50 30 EJEARN N#CC1(Nc2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000055026453 214265309 /nfs/dbraw/zinc/26/53/09/214265309.db2.gz QMPWOBJHEGBNTO-UHFFFAOYSA-N 0 0 331.257 4.579 50 30 EJEARN Cc1ccccc1[C@@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N ZINC000004652930 210238905 /nfs/dbraw/zinc/23/89/05/210238905.db2.gz UBBBGSCFVIIMPQ-XXYORIAFSA-N 0 0 344.458 4.527 50 30 EJEARN C=CCCCC(=O)Nc1cc(Br)ccc1Br ZINC000004616863 210231595 /nfs/dbraw/zinc/23/15/95/210231595.db2.gz JDZHVLGTINCVDH-UHFFFAOYSA-N 0 0 347.050 4.506 50 30 EJEARN C/C(=N/O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000100067402 219089806 /nfs/dbraw/zinc/08/98/06/219089806.db2.gz PYOMNTQHOYAXHS-GXHLCREISA-N 0 0 334.750 4.604 50 30 EJEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000100149990 219092776 /nfs/dbraw/zinc/09/27/76/219092776.db2.gz GYANXLOWLMLQSB-YRXLECQKSA-N 0 0 327.387 4.581 50 30 EJEARN O=C(C(C(=O)c1ccccc1)=C1Nc2ccccc2N1)c1ccccc1 ZINC000100301249 219096032 /nfs/dbraw/zinc/09/60/32/219096032.db2.gz KYJRQXWCAVVIJS-UHFFFAOYSA-N 0 0 340.382 4.501 50 30 EJEARN COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1O ZINC000100318838 219097087 /nfs/dbraw/zinc/09/70/87/219097087.db2.gz AOTVWKZCCRIMON-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN N#Cc1sc(C=CNc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000100406004 219098453 /nfs/dbraw/zinc/09/84/53/219098453.db2.gz HHUOZVDVWGCTGZ-AATRIKPKSA-N 0 0 329.734 4.770 50 30 EJEARN CCCCCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000100593850 219102859 /nfs/dbraw/zinc/10/28/59/219102859.db2.gz GWQHMIQOLJNGDX-UHFFFAOYSA-N 0 0 327.424 4.670 50 30 EJEARN COc1ccccc1/C=C/c1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 ZINC000008534290 201752227 /nfs/dbraw/zinc/75/22/27/201752227.db2.gz QIABOEBQGDPUSK-LHNRBYRGSA-N 0 0 345.402 4.898 50 30 EJEARN C=CCc1ccccc1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004131926 210127685 /nfs/dbraw/zinc/12/76/85/210127685.db2.gz IVOAPOQXYQRGDG-HSZRJFAPSA-N 0 0 342.394 4.866 50 30 EJEARN C[C@H]1CCc2sc(NC(=O)c3cccc(Cl)c3)c(C#N)c2C1 ZINC000004070059 210111820 /nfs/dbraw/zinc/11/18/20/210111820.db2.gz BMKWBMVESSTOTE-JTQLQIEISA-N 0 0 330.840 4.650 50 30 EJEARN CNc1nc(SCc2ccc(C)cc2)nc(-c2ccccc2)c1C#N ZINC000004060176 210109991 /nfs/dbraw/zinc/10/99/91/210109991.db2.gz HQGAJCGVOXUONM-UHFFFAOYSA-N 0 0 346.459 4.658 50 30 EJEARN CC(C)COc1cccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000013640487 201905708 /nfs/dbraw/zinc/90/57/08/201905708.db2.gz KXVXXEFJFRCLGN-IZZDOVSWSA-N 0 0 346.430 4.803 50 30 EJEARN CCCCC#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003997445 210096864 /nfs/dbraw/zinc/09/68/64/210096864.db2.gz YQLBXQZOMOMJBQ-UHFFFAOYSA-N 0 0 347.867 4.683 50 30 EJEARN C(=NNc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1 ZINC000003902918 210088814 /nfs/dbraw/zinc/08/88/14/210088814.db2.gz GVCOZZLGDAWONE-KGENOOAVSA-N 0 0 328.375 4.801 50 30 EJEARN O=C1c2ccccc2C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003581764 210058308 /nfs/dbraw/zinc/05/83/08/210058308.db2.gz VKUWWAKTYNCJFO-QINSGFPZSA-N 0 0 331.327 4.677 50 30 EJEARN C=CCn1c(SCC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003457372 210045715 /nfs/dbraw/zinc/04/57/15/210045715.db2.gz PGSIHIQRFMOCDP-UHFFFAOYSA-N 0 0 342.489 4.731 50 30 EJEARN CC(C)c1ccccc1-n1c(S[C@@H](C)C#N)nc2ccccc2c1=O ZINC000003444406 210042008 /nfs/dbraw/zinc/04/20/08/210042008.db2.gz RFGJWDGBRMULDE-AWEZNQCLSA-N 0 0 349.459 4.513 50 30 EJEARN N#Cc1oc2ccccc2c1NC(=O)Cc1c(Cl)cccc1Cl ZINC000003414685 210032824 /nfs/dbraw/zinc/03/28/24/210032824.db2.gz PLDFHMLACZUOTL-UHFFFAOYSA-N 0 0 345.185 4.792 50 30 EJEARN N#CCCSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000015235872 201952906 /nfs/dbraw/zinc/95/29/06/201952906.db2.gz MZXWMRZAKBWHDH-UHFFFAOYSA-N 0 0 327.840 4.744 50 30 EJEARN N#CCC[C@](C#N)(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000003133347 209970089 /nfs/dbraw/zinc/97/00/89/209970089.db2.gz LMSIWMHGLSBNSJ-INIZCTEOSA-N 0 0 349.743 4.867 50 30 EJEARN CSc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000003104714 209963759 /nfs/dbraw/zinc/96/37/59/209963759.db2.gz SVBLLKISSBSPCS-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN O=C(/C=C/c1csnn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000040139785 213271288 /nfs/dbraw/zinc/27/12/88/213271288.db2.gz BGNGLWFLICXQNJ-AATRIKPKSA-N 0 0 332.837 4.816 50 30 EJEARN CC[C@@H](C)c1ccc(OCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000000611249 209675763 /nfs/dbraw/zinc/67/57/63/209675763.db2.gz MXHUVYTYDPWYJB-GFCCVEGCSA-N 0 0 342.464 4.768 50 30 EJEARN CCCCCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 ZINC000019940213 202028174 /nfs/dbraw/zinc/02/81/74/202028174.db2.gz FUBXSPYISJDSQT-UHFFFAOYSA-N 0 0 339.439 4.667 50 30 EJEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000021146921 202061947 /nfs/dbraw/zinc/06/19/47/202061947.db2.gz GQALNAMBHXWYEI-UHFFFAOYSA-N 0 0 327.796 4.554 50 30 EJEARN Cc1ccc(NC=C2C(=O)CC(c3ccccc3Cl)CC2=O)cc1 ZINC000000477810 209627271 /nfs/dbraw/zinc/62/72/71/209627271.db2.gz WXYHPRJGXZBFQL-UHFFFAOYSA-N 0 0 339.822 4.660 50 30 EJEARN CCOc1ccc2ccccc2c1/C=C1\N=C(SC)SC1=O ZINC000000458381 209612965 /nfs/dbraw/zinc/61/29/65/209612965.db2.gz WJFIHHWZMUXXPQ-UVTDQMKNSA-N 0 0 329.446 4.572 50 30 EJEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 ZINC000036354838 213088660 /nfs/dbraw/zinc/08/86/60/213088660.db2.gz AKKWMZJBXZYHCU-MRXNPFEDSA-N 0 0 348.793 4.521 50 30 EJEARN CCC(=NNc1ccc(F)cc1)c1ccc(Br)cc1O ZINC000036040056 213058395 /nfs/dbraw/zinc/05/83/95/213058395.db2.gz YBTPGAKOWHNJQJ-XMHGGMMESA-N 0 0 337.192 4.520 50 30 EJEARN CN(C)c1ccnc(Nc2ccc(Oc3ccccc3)cc2)c1C#N ZINC000036382156 202324394 /nfs/dbraw/zinc/32/43/94/202324394.db2.gz YFLBLAUZHXPHCP-UHFFFAOYSA-N 0 0 330.391 4.555 50 30 EJEARN C[C@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1 ZINC000000357828 209548732 /nfs/dbraw/zinc/54/87/32/209548732.db2.gz ZNBKDZHODAQBRP-QKRFLKLASA-N 0 0 348.830 4.744 50 30 EJEARN Cc1ccc(Cn2c3ccccc3nc2/N=C/c2ccccc2O)cc1 ZINC000000255331 209505773 /nfs/dbraw/zinc/50/57/73/209505773.db2.gz PYMORHQBGLNIKU-OEAKJJBVSA-N 0 0 341.414 4.849 50 30 EJEARN C(=N/Cc1ccco1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000163910 209459431 /nfs/dbraw/zinc/45/94/31/209459431.db2.gz HJVHJGHRNLDANQ-HYARGMPZSA-N 0 0 327.387 4.751 50 30 EJEARN N#Cc1ccccc1NC(=O)CC1c2ccccc2Oc2ccccc21 ZINC000000051049 209390687 /nfs/dbraw/zinc/39/06/87/209390687.db2.gz CJGDBCUPDVJWOB-UHFFFAOYSA-N 0 0 340.382 4.825 50 30 EJEARN C/C(=N\NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000072433973 216228202 /nfs/dbraw/zinc/22/82/02/216228202.db2.gz PAGRFSVJWZQHLZ-FYJGNVAPSA-N 0 0 327.497 4.565 50 30 EJEARN CCCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000027663179 212572289 /nfs/dbraw/zinc/57/22/89/212572289.db2.gz BICZJWDRADBUTL-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3cccc(C)c3)cc21 ZINC000027460971 212558847 /nfs/dbraw/zinc/55/88/47/212558847.db2.gz KDEXQLHKBCMVCP-UHFFFAOYSA-N 0 0 349.430 4.993 50 30 EJEARN O=C1c2cc(F)ccc2SC/C1=C\c1csc(-c2ccco2)n1 ZINC000096401874 201376588 /nfs/dbraw/zinc/37/65/88/201376588.db2.gz QVWNHSMXMMBPAX-UXBLZVDNSA-N 0 0 343.404 4.914 50 30 EJEARN CCN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)C1=CCCC1 ZINC000024922004 212446863 /nfs/dbraw/zinc/44/68/63/212446863.db2.gz PQYVDZGTTZFIHR-UHFFFAOYSA-N 0 0 346.430 4.520 50 30 EJEARN COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000000059990 201427552 /nfs/dbraw/zinc/42/75/52/201427552.db2.gz FCUJTBIKGGUVSI-CAOOACKPSA-N 0 0 325.151 4.661 50 30 EJEARN CN(Cc1cc(C#N)ccc1F)C(c1ccccc1)c1ccccc1 ZINC000022515031 212303632 /nfs/dbraw/zinc/30/36/32/212303632.db2.gz UTWJTYBJAVNYGX-UHFFFAOYSA-N 0 0 330.406 4.919 50 30 EJEARN N#Cc1ccc(-c2csc(COc3ccccc3Cl)n2)cc1 ZINC000000113955 201436535 /nfs/dbraw/zinc/43/65/35/201436535.db2.gz LMBFZTCLNXRFRM-UHFFFAOYSA-N 0 0 326.808 4.914 50 30 EJEARN CCCc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)[nH]1 ZINC000022417720 212296544 /nfs/dbraw/zinc/29/65/44/212296544.db2.gz RGHQPYOTXDDTMG-UHFFFAOYSA-N 0 0 334.448 4.588 50 30 EJEARN COc1ccc(NC(=O)ON=C2c3ccccc3-c3ccccc32)cc1 ZINC000000194259 201446041 /nfs/dbraw/zinc/44/60/41/201446041.db2.gz MCEKMHPPYCOROC-UHFFFAOYSA-N 0 0 344.370 4.677 50 30 EJEARN O=C(/C=C1\OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1 ZINC000000290232 201457453 /nfs/dbraw/zinc/45/74/53/201457453.db2.gz LAHISJXGABGIKG-NVMNQCDNSA-N 0 0 345.181 4.700 50 30 EJEARN Cc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 ZINC000001403794 201506835 /nfs/dbraw/zinc/50/68/35/201506835.db2.gz SZGBXTNPOCPHMO-UHFFFAOYSA-N 0 0 334.400 4.534 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1C ZINC000225508636 241906582 /nfs/dbraw/zinc/90/65/82/241906582.db2.gz GOXFOZHETZOCLE-IFMALSPDSA-N 0 0 348.442 4.623 50 30 EJEARN CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000002748033 201543223 /nfs/dbraw/zinc/54/32/23/201543223.db2.gz SEIGAFFUOCLZPJ-HUUCEWRRSA-N 0 0 334.345 4.538 50 30 EJEARN FC(F)(F)c1ccc(N=NC2c3ccccc3-c3ccccc32)nc1 ZINC000004703515 201613671 /nfs/dbraw/zinc/61/36/71/201613671.db2.gz HKMAYNLEYKNQOZ-UHFFFAOYSA-N 0 0 339.320 4.945 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000004898552 201625943 /nfs/dbraw/zinc/62/59/43/201625943.db2.gz WWPKUGQERABLTG-QHEGHOSLSA-N 0 0 346.426 4.562 50 30 EJEARN CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000103731529 204086380 /nfs/dbraw/zinc/08/63/80/204086380.db2.gz OOQWGUVWAYDLPO-UDWIEESQSA-N 0 0 333.815 4.897 50 30 EJEARN N#CCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000019201937 212004177 /nfs/dbraw/zinc/00/41/77/212004177.db2.gz LZRFKAQXWCOORL-OAQYLSRUSA-N 0 0 333.479 4.906 50 30 biogenic EJEARN COc1ccc(Br)cc1/C=N\c1sc(C)c(C)c1C#N ZINC000017201393 211959945 /nfs/dbraw/zinc/95/99/45/211959945.db2.gz SSTMGBKZPNZSKG-LSCVHKIXSA-N 0 0 349.253 4.758 50 30 EJEARN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C)C1=O ZINC000017154997 211958206 /nfs/dbraw/zinc/95/82/06/211958206.db2.gz WPYPTDXHCKHHJZ-FTIPTLOASA-N 0 0 347.443 4.710 50 30 EJEARN N#CCCn1cc(/C=C/c2nc3ccccc3o2)c(-c2ccccc2)n1 ZINC000012790729 211457391 /nfs/dbraw/zinc/45/73/91/211457391.db2.gz KWYFATOSNQTHHS-VAWYXSNFSA-N 0 0 340.386 4.775 50 30 EJEARN COc1ccc(/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 ZINC000012420338 211374454 /nfs/dbraw/zinc/37/44/54/211374454.db2.gz VAWBYKZEESYJCB-ATJXCDBQSA-N 0 0 337.382 4.788 50 30 EJEARN COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br ZINC000012371077 211357872 /nfs/dbraw/zinc/35/78/72/211357872.db2.gz IDNNDNUFRWFUMO-DHDCSXOGSA-N 0 0 347.233 4.787 50 30 EJEARN O=[N+]([O-])c1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012368792 211357229 /nfs/dbraw/zinc/35/72/29/211357229.db2.gz LZLLLIXVUHWOKV-HTXNQAPBSA-N 0 0 330.771 4.579 50 30 EJEARN C=C(C)CN(CC)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012227149 211325829 /nfs/dbraw/zinc/32/58/29/211325829.db2.gz ODBBUVMKAFEGDH-UHFFFAOYSA-N 0 0 347.462 4.648 50 30 EJEARN COc1cc2c(cc1/C=N/N(c1ccccc1)c1ccccc1)OCO2 ZINC000009296402 211063878 /nfs/dbraw/zinc/06/38/78/211063878.db2.gz KNQQFCKSNDEHOC-HYARGMPZSA-N 0 0 346.386 4.596 50 30 EJEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccco1 ZINC000009052183 211034319 /nfs/dbraw/zinc/03/43/19/211034319.db2.gz ORSHCLMWDKCYND-DCLOOSSNSA-N 0 0 344.366 4.988 50 30 EJEARN COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCC#N ZINC000008321237 210933820 /nfs/dbraw/zinc/93/38/20/210933820.db2.gz KJRKUWZCYJEJQM-XVNBXDOJSA-N 0 0 340.766 4.563 50 30 EJEARN C#CC[C@H](CC)NC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000095962287 218467069 /nfs/dbraw/zinc/46/70/69/218467069.db2.gz AKMLHOQDIYGJAN-LBPRGKRZSA-N 0 0 344.402 4.573 50 30 EJEARN S=C(N/N=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1 ZINC000006575889 210657285 /nfs/dbraw/zinc/65/72/85/210657285.db2.gz ILPYXAPXFKEPFQ-RCCKNPSSSA-N 0 0 331.444 4.674 50 30 EJEARN C=C(C)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 ZINC000006158575 210596044 /nfs/dbraw/zinc/59/60/44/210596044.db2.gz IIQWSEDKYRWNPC-UHFFFAOYSA-N 0 0 325.412 4.742 50 30 EJEARN COc1ccc2cc(C(=O)/C=C\c3ccccc3[N+](=O)[O-])ccc2c1 ZINC000096766655 218889799 /nfs/dbraw/zinc/88/97/99/218889799.db2.gz DQUNBQTYBQHQPX-LUAWRHEFSA-N 0 0 333.343 4.653 50 30 EJEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005148250 210399500 /nfs/dbraw/zinc/39/95/00/210399500.db2.gz XHYDLDQSVHCECS-NDENLUEZSA-N 0 0 332.355 4.783 50 30 EJEARN C=CCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000005068685 210381447 /nfs/dbraw/zinc/38/14/47/210381447.db2.gz BQZJDYCDVRPEMA-LFYBBSHMSA-N 0 0 343.220 4.910 50 30 EJEARN O=C1CCC2=C1[C@@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000005067922 210381238 /nfs/dbraw/zinc/38/12/38/210381238.db2.gz QCCMXOOWEQFQLM-FQEVSTJZSA-N 0 0 327.383 4.720 50 30 EJEARN N#Cc1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)c1 ZINC000005035094 210370078 /nfs/dbraw/zinc/37/00/78/210370078.db2.gz QAXHQQGSXSSOCU-UHFFFAOYSA-N 0 0 347.805 4.501 50 30 EJEARN Cc1nn(C(C)(C)C)c2c1[C@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000004980004 210346359 /nfs/dbraw/zinc/34/63/59/210346359.db2.gz AKGRNXNTTLFIIQ-INIZCTEOSA-N 0 0 341.480 4.573 50 30 EJEARN Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)s1 ZINC000004953270 210338107 /nfs/dbraw/zinc/33/81/07/210338107.db2.gz KRDQBMUHGKSUIW-UOJKDHGMSA-N 0 0 348.880 4.944 50 30 EJEARN CC[C@H](C)n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000004949227 210338245 /nfs/dbraw/zinc/33/82/45/210338245.db2.gz KDSLBPDYLQVTBG-AWEZNQCLSA-N 0 0 349.459 4.531 50 30 EJEARN Cc1cc(C)c(C(=O)C(=Cc2ccccc2F)c2ccccc2)c(=O)[nH]1 ZINC000004953414 210337450 /nfs/dbraw/zinc/33/74/50/210337450.db2.gz XRYYNFUMSUAUTB-QGOAFFKASA-N 0 0 347.389 4.554 50 30 EJEARN Cc1nc(SCc2ncc(-c3ccccc3)o2)c(C#N)c(C)c1C ZINC000007059989 208580598 /nfs/dbraw/zinc/58/05/98/208580598.db2.gz DZTMZPQXTOBRHK-UHFFFAOYSA-N 0 0 335.432 4.826 50 30 EJEARN COc1ccc(C(=O)C=C(C)Nc2cccc(Br)c2)cc1 ZINC000004819132 210286533 /nfs/dbraw/zinc/28/65/33/210286533.db2.gz ZEAHLZVXQBWJAH-ZRDIBKRKSA-N 0 0 346.224 4.656 50 30 EJEARN Cc1cc(NN=Cc2ccc(OC(F)F)cc2)nc2ccccc12 ZINC000004746583 210269008 /nfs/dbraw/zinc/26/90/08/210269008.db2.gz RUPASELBEUFIOL-SRZZPIQSSA-N 0 0 327.334 4.591 50 30 EJEARN Brc1ccc(-c2csc(N=NCc3ccco3)n2)cc1 ZINC000004754971 210271861 /nfs/dbraw/zinc/27/18/61/210271861.db2.gz KECGDNDIPWAYCW-LZYBPNLTSA-N 0 0 348.225 4.612 50 30 EJEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1ccccc1Cl ZINC000096925867 257839220 /nfs/dbraw/zinc/83/92/20/257839220.db2.gz OBWMSXKUZRRZDR-QXMHVHEDSA-N 0 0 349.821 4.684 50 30 EJEARN CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O ZINC000085891448 257845209 /nfs/dbraw/zinc/84/52/09/257845209.db2.gz QJIXVOQAEZMUIH-GOSISDBHSA-N 0 0 339.520 4.899 50 30 EJEARN Cc1nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc1C ZINC000328587208 258046387 /nfs/dbraw/zinc/04/63/87/258046387.db2.gz HMGKDIBAMYUAFB-OAHLLOKOSA-N 0 0 331.419 4.681 50 30 EJEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 ZINC000002443423 258016747 /nfs/dbraw/zinc/01/67/47/258016747.db2.gz VMDXFLHOCVRMJZ-UHFFFAOYSA-N 0 0 325.412 4.563 50 30 EJEARN C=CCSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1 ZINC000017117863 258016805 /nfs/dbraw/zinc/01/68/05/258016805.db2.gz BOEQSEXSJXUIIT-UHFFFAOYSA-N 0 0 328.824 4.656 50 30 EJEARN CCCCC[C@H](C=O)CCC(=O)c1ccc(Br)cc1 ZINC000002269433 258049631 /nfs/dbraw/zinc/04/96/31/258049631.db2.gz NLQFAVJFJNGITK-ZDUSSCGKSA-N 0 0 325.246 4.807 50 30 EJEARN COc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1OC ZINC000006646384 258052222 /nfs/dbraw/zinc/05/22/22/258052222.db2.gz ABQAVMZIWJYKRH-MDZDMXLPSA-N 0 0 336.309 4.619 50 30 EJEARN O=C(/C(=C/c1ccccn1)c1nc2ccccc2o1)c1ccccc1 ZINC000009423371 258054034 /nfs/dbraw/zinc/05/40/34/258054034.db2.gz VEVQMSKOMMBKBI-VKAVYKQESA-N 0 0 326.355 4.646 50 30 EJEARN Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000032915307 258058736 /nfs/dbraw/zinc/05/87/36/258058736.db2.gz XMBAGDINYSSFQM-MDZDMXLPSA-N 0 0 330.409 4.553 50 30 EJEARN Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4ccccc4s3)c21 ZINC000069701922 258063772 /nfs/dbraw/zinc/06/37/72/258063772.db2.gz PYHPPFIPMBCUOU-AWEZNQCLSA-N 0 0 345.427 4.505 50 30 EJEARN Cc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)C(C)C)s1 ZINC000069654069 258063782 /nfs/dbraw/zinc/06/37/82/258063782.db2.gz XCTQWXUSRDKATF-UHFFFAOYSA-N 0 0 327.453 4.565 50 30 EJEARN CON=C1C[C@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000245239955 258072992 /nfs/dbraw/zinc/07/29/92/258072992.db2.gz ICICCNLECZQTRT-OAHLLOKOSA-N 0 0 343.430 4.743 50 30 EJEARN C/C(=N\OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 ZINC000004300463 518470612 /nfs/dbraw/zinc/47/06/12/518470612.db2.gz AIAPFKPYVQXALU-WSDLNYQXSA-N 0 0 331.362 4.843 50 30 EJEARN C=C(C)CN(CC)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000095397933 518595394 /nfs/dbraw/zinc/59/53/94/518595394.db2.gz FXDZPELZQOSHQJ-UHFFFAOYSA-N 0 0 348.512 4.529 50 30 EJEARN C=C(C)COc1ccc(-c2oncc2-c2ccccc2OC)c(O)c1 ZINC000005450817 518612874 /nfs/dbraw/zinc/61/28/74/518612874.db2.gz WAJHCPSNMPXKBK-UHFFFAOYSA-N 0 0 337.375 4.678 50 30 EJEARN C=CCCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012477775 518692161 /nfs/dbraw/zinc/69/21/61/518692161.db2.gz YIOQQXDIGGWUSF-NRFANRHFSA-N 0 0 347.458 4.741 50 30 EJEARN C=CCN(C(=O)/C=C\c1ccco1)c1nc(-c2ccccc2)cs1 ZINC000033502594 518729752 /nfs/dbraw/zinc/72/97/52/518729752.db2.gz SCBVFPNANICVTG-KHPPLWFESA-N 0 0 336.416 4.636 50 30 EJEARN C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000000270344 518819308 /nfs/dbraw/zinc/81/93/08/518819308.db2.gz CJLCBELYETZERL-JOCHJYFZSA-N 0 0 348.490 4.788 50 30 EJEARN C=CCc1ccc(OCCCCOc2ccccc2F)c(OC)c1 ZINC000002985138 519135452 /nfs/dbraw/zinc/13/54/52/519135452.db2.gz UYYQTEACMJAFPS-UHFFFAOYSA-N 0 0 330.399 4.801 50 30 EJEARN C=CCc1ccc(OCCCOc2cccc3cccnc32)c(OC)c1 ZINC000002984243 519137349 /nfs/dbraw/zinc/13/73/49/519137349.db2.gz LQCIRZNBFLIBRI-UHFFFAOYSA-N 0 0 349.430 4.820 50 30 EJEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 ZINC000004345299 519240116 /nfs/dbraw/zinc/24/01/16/519240116.db2.gz KPVOGXVUEKNGME-UHFFFAOYSA-N 0 0 340.279 4.941 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1F ZINC000004357073 519245192 /nfs/dbraw/zinc/24/51/92/519245192.db2.gz SWZGHNQHNXQRJB-UHFFFAOYSA-N 0 0 343.402 4.702 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1C1CCCCC1 ZINC000014104034 519245957 /nfs/dbraw/zinc/24/59/57/519245957.db2.gz UUEIYSNDVZQRSV-UHFFFAOYSA-N 0 0 331.460 4.943 50 30 EJEARN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](C)c1ccccn1 ZINC000328590129 519926565 /nfs/dbraw/zinc/92/65/65/519926565.db2.gz IUATYRKWDIGWRI-GJZGRUSLSA-N 0 0 336.439 4.833 50 30 EJEARN CCCCN(CC)c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccccc1 ZINC000004180449 520484259 /nfs/dbraw/zinc/48/42/59/520484259.db2.gz OVTKLNPOFRREPU-HMMYKYKNSA-N 0 0 340.427 4.667 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1O ZINC000012754977 520619144 /nfs/dbraw/zinc/61/91/44/520619144.db2.gz VPPXBEUGSHISCJ-VOTSOKGWSA-N 0 0 346.810 4.657 50 30 EJEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc(F)cc1F)O[C@H](C)C2 ZINC000096765431 520789921 /nfs/dbraw/zinc/78/99/21/520789921.db2.gz NKSNLEWKUNRKEY-DJFZKKHWSA-N 0 0 344.357 4.583 50 30 EJEARN CCOc1ccccc1/C=C/C(=O)c1cccc(Br)c1 ZINC000005073036 521447704 /nfs/dbraw/zinc/44/77/04/521447704.db2.gz YIAIJISSDIZHLT-ZHACJKMWSA-N 0 0 331.209 4.744 50 30 EJEARN COc1ccc(-c2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004158516 523126758 /nfs/dbraw/zinc/12/67/58/523126758.db2.gz JLXSUJMJOVFKHC-PKNBQFBNSA-N 0 0 349.342 4.760 50 30 EJEARN COc1ccc(/C=C2/CCCC(=C3SCCCS3)C2=O)cc1 ZINC000033426822 523411727 /nfs/dbraw/zinc/41/17/27/523411727.db2.gz RPCFBRJWDQFJSF-OWBHPGMISA-N 0 0 332.490 4.913 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000004158531 523539282 /nfs/dbraw/zinc/53/92/82/523539282.db2.gz VWAPUNMSNZRPJD-ZRDIBKRKSA-N 0 0 349.342 4.760 50 30 EJEARN COc1ccccc1C(C)N=Nc1nc(-c2ccccc2)c(C)s1 ZINC000007036930 524310517 /nfs/dbraw/zinc/31/05/17/524310517.db2.gz AMHPTBWDMAKUIJ-FYJGNVAPSA-N 0 0 337.448 4.963 50 30 EJEARN COc1ccc(N[C@H](C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000530708 524705722 /nfs/dbraw/zinc/70/57/22/524705722.db2.gz ZJAGOXOQBYLFBQ-OAQYLSRUSA-N 0 0 344.414 4.951 50 30 EJEARN COc1cccc(C(=O)/C=C/c2cc3ccccc3nc2SC)c1 ZINC000004053157 525780352 /nfs/dbraw/zinc/78/03/52/525780352.db2.gz SMDYLRBEFBDDRN-ZHACJKMWSA-N 0 0 335.428 4.861 50 30 EJEARN N#CCCCSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000003354923 526448213 /nfs/dbraw/zinc/44/82/13/526448213.db2.gz TVGOAVQTCRPBJX-UHFFFAOYSA-N 0 0 344.459 4.985 50 30 EJEARN N#CCCSc1ccccc1NC(=O)c1nc2ccccc2s1 ZINC000004176940 526463570 /nfs/dbraw/zinc/46/35/70/526463570.db2.gz IKPPJBWVMWFOHX-UHFFFAOYSA-N 0 0 339.445 4.554 50 30 EJEARN O=C(Nc1ccccc1)O/N=C/C1=C(Cl)c2ccccc2CC1 ZINC000004091927 527396248 /nfs/dbraw/zinc/39/62/48/527396248.db2.gz KADUQFQJLZZVOV-UDWIEESQSA-N 0 0 326.783 4.817 50 30 EJEARN O=C(/C=C/c1ccccc1)c1cccc(NC(=O)Cc2cccs2)c1 ZINC000004990014 527633566 /nfs/dbraw/zinc/63/35/66/527633566.db2.gz BRMGLOMOQRJFFD-VAWYXSNFSA-N 0 0 347.439 4.825 50 30 EJEARN O=C(/C=C/c1cccs1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000004118270 527642926 /nfs/dbraw/zinc/64/29/26/527642926.db2.gz NOIZIQPMALDFOW-MDZDMXLPSA-N 0 0 340.425 4.925 50 30 EJEARN CCc1c(C)nc2ccc(Br)cc2c1SCCC#N ZINC000017353878 564011692 /nfs/dbraw/zinc/01/16/92/564011692.db2.gz QBNDDWFCFOOBGM-UHFFFAOYSA-N 0 0 335.270 4.874 50 30 EJEARN CCC(=O)Nc1ccc(N=Cc2ccc(Br)cc2)cc1 ZINC000252462665 564118774 /nfs/dbraw/zinc/11/87/74/564118774.db2.gz VFLORWMDGQEHTH-UHFFFAOYSA-N 0 0 331.213 4.548 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2ccc(Cl)c(Br)c2)C1 ZINC000000038115 563212186 /nfs/dbraw/zinc/21/21/86/563212186.db2.gz GQWPJPWDVIJWGJ-UHFFFAOYSA-N 0 0 328.637 4.787 50 30 EJEARN CS/C(=N\C(=O)c1c(Cl)cccc1Cl)N1CCC[C@H](C)C1 ZINC000000079571 563218352 /nfs/dbraw/zinc/21/83/52/563218352.db2.gz VDMJPBLERXQRJZ-FQWVMZTNSA-N 0 0 345.295 4.585 50 30 EJEARN C/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000000092219 563222823 /nfs/dbraw/zinc/22/28/23/563222823.db2.gz KDZYQLAPWFHZFQ-DNTJNYDQSA-N 0 0 344.144 4.853 50 30 EJEARN O=C1c2ccccc2C(=O)C(Oc2ccc3ccccc3c2)=C1Cl ZINC000000135031 563240012 /nfs/dbraw/zinc/24/00/12/563240012.db2.gz IYTYHEBRFFXNBS-UHFFFAOYSA-N 0 0 334.758 4.748 50 30 EJEARN COc1ccc([C@H](C#N)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000153414 563247119 /nfs/dbraw/zinc/24/71/19/563247119.db2.gz HBKKACMTMUNMJH-OAQYLSRUSA-N 0 0 345.373 4.721 50 30 EJEARN Clc1cccc(/C=N/c2ccc(I)cc2)c1 ZINC000000268167 563269363 /nfs/dbraw/zinc/26/93/63/563269363.db2.gz LSSBDZVOJMIKHW-CXUHLZMHSA-N 0 0 341.579 4.695 50 30 EJEARN CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000283399 563272334 /nfs/dbraw/zinc/27/23/34/563272334.db2.gz GWIKSNVVBOGXPY-XDHOZWIPSA-N 0 0 331.803 4.845 50 30 EJEARN O=C(c1ccccc1)c1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000000288321 563273099 /nfs/dbraw/zinc/27/30/99/563273099.db2.gz PYEIAFOEBGJTSH-XDHOZWIPSA-N 0 0 336.372 4.638 50 30 EJEARN CC1(C)CC(=O)C(=CNc2ccc(Cl)c(C(F)(F)F)c2)C(=O)C1 ZINC000000298441 563275359 /nfs/dbraw/zinc/27/53/59/563275359.db2.gz WALUTXFMIMWDCA-UHFFFAOYSA-N 0 0 345.748 4.613 50 30 EJEARN N#C[C@H](c1ccccc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001400168 563387457 /nfs/dbraw/zinc/38/74/57/563387457.db2.gz OJEQMJHSCVGYTR-MRXNPFEDSA-N 0 0 337.835 4.937 50 30 EJEARN N#CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000001893886 563415712 /nfs/dbraw/zinc/41/57/12/563415712.db2.gz WNELKZWUSDGTJZ-UHFFFAOYSA-N 0 0 333.441 4.964 50 30 EJEARN CC(=O)Nc1ccc(C=Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000254814905 563502438 /nfs/dbraw/zinc/50/24/38/563502438.db2.gz ZQBMECFEYIYYFZ-UHFFFAOYSA-N 0 0 326.399 4.967 50 30 EJEARN Cc1ccc2c(c1)N[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005218520 563523306 /nfs/dbraw/zinc/52/33/06/563523306.db2.gz LESOCJNBYQDOGR-FQEVSTJZSA-N 0 0 333.435 4.612 50 30 EJEARN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1 ZINC000005260965 563524913 /nfs/dbraw/zinc/52/49/13/563524913.db2.gz QPWAMYDVOZANFQ-SDNWHVSQSA-N 0 0 346.224 4.743 50 30 EJEARN O=C1C=C(Nc2ccccc2Br)C[C@@H](c2ccccc2)C1 ZINC000005279705 563525182 /nfs/dbraw/zinc/52/51/82/563525182.db2.gz LVOKDOZCATUOJX-CQSZACIVSA-N 0 0 342.236 4.892 50 30 EJEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000005557309 563539599 /nfs/dbraw/zinc/53/95/99/563539599.db2.gz FECLMXXIAKYNPH-QGOAFFKASA-N 0 0 346.411 4.838 50 30 EJEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 ZINC000005588522 563541471 /nfs/dbraw/zinc/54/14/71/563541471.db2.gz JMVIANRVVAJUON-GDNBJRDFSA-N 0 0 328.824 4.540 50 30 EJEARN CN1c2ccccc2S/C1=C\C(=O)c1cccc(Br)c1 ZINC000005810473 563551194 /nfs/dbraw/zinc/55/11/94/563551194.db2.gz VUVOBOIOZZBUQE-YBEGLDIGSA-N 0 0 346.249 4.715 50 30 EJEARN Fc1ccc(-c2cnn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000005896279 563553507 /nfs/dbraw/zinc/55/35/07/563553507.db2.gz VDNPPAGTZNJSAO-UHFFFAOYSA-N 0 0 349.209 4.573 50 30 EJEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006827705 563588293 /nfs/dbraw/zinc/58/82/93/563588293.db2.gz ZJIJAJXFLBMLCK-UHFFFAOYSA-N 0 0 338.038 4.652 50 30 world EJEARN CC(=O)Nc1ccc(NC=CC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000002793266 563616194 /nfs/dbraw/zinc/61/61/94/563616194.db2.gz UEUXTTOWKHPOTP-VOTSOKGWSA-N 0 0 349.217 4.760 50 30 EJEARN FC(F)(F)c1ccccc1NC(=S)NN=C1CCCCCC1 ZINC000013685914 563710841 /nfs/dbraw/zinc/71/08/41/563710841.db2.gz HICDIXCPXTXYDT-UHFFFAOYSA-N 0 0 329.391 4.702 50 30 EJEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000013733845 563719947 /nfs/dbraw/zinc/71/99/47/563719947.db2.gz FQGNZZAQKNTFJS-OAHLLOKOSA-N 0 0 349.217 4.854 50 30 EJEARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000013733842 563719955 /nfs/dbraw/zinc/71/99/55/563719955.db2.gz FQGNZZAQKNTFJS-HNNXBMFYSA-N 0 0 349.217 4.854 50 30 EJEARN S=C(N/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000015224714 563780379 /nfs/dbraw/zinc/78/03/79/563780379.db2.gz SRAXJVRQKOKBMO-UHFFFAOYSA-N 0 0 331.444 4.752 50 30 EJEARN CC1C/C(=C\c2ccc(C#N)cc2)C(=O)/C(=C\c2ccc(C#N)cc2)C1 ZINC000016405628 563810522 /nfs/dbraw/zinc/81/05/22/563810522.db2.gz WOCLVPJDTLLCMY-VZHHCOETSA-N 0 0 338.410 4.896 50 30 EJEARN N#Cc1ccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)nc1 ZINC000060196882 563854509 /nfs/dbraw/zinc/85/45/09/563854509.db2.gz ZSBMIHMUIKHPFW-UHFFFAOYSA-N 0 0 334.810 4.962 50 30 EJEARN COc1cccc(/C=N/c2ccc(Br)cc2Cl)c1O ZINC000003091504 563901224 /nfs/dbraw/zinc/90/12/24/563901224.db2.gz SPKVCLZSFVKIDP-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN CCCCN(CCCC)c1nc(CC)c2c(c1C#N)CC(C)(C)OC2 ZINC000013564295 563930139 /nfs/dbraw/zinc/93/01/39/563930139.db2.gz ZUJLLJGDLABPJE-UHFFFAOYSA-N 0 0 343.515 4.774 50 30 EJEARN Cc1nn2c(ncc(C#N)c2-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000013637092 563930834 /nfs/dbraw/zinc/93/08/34/563930834.db2.gz SQYCKHMVPGIODE-UHFFFAOYSA-N 0 0 344.805 4.897 50 30 EJEARN C=CC[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccncc1 ZINC000071909248 563931990 /nfs/dbraw/zinc/93/19/90/563931990.db2.gz NCCNMNLFSDIGGL-INIZCTEOSA-N 0 0 348.406 4.539 50 30 EJEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000059270297 563947848 /nfs/dbraw/zinc/94/78/48/563947848.db2.gz ACXLTDVWQTYHNU-IZZDOVSWSA-N 0 0 342.320 4.787 50 30 EJEARN CCCCCCCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000097951674 563963190 /nfs/dbraw/zinc/96/31/90/563963190.db2.gz ORWCWYMPMNOHRC-UHFFFAOYSA-N 0 0 336.436 4.834 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(C)c1 ZINC000097104983 563967644 /nfs/dbraw/zinc/96/76/44/563967644.db2.gz FBTRBADUTASPPS-RBBKRZOGSA-N 0 0 348.442 4.623 50 30 EJEARN Cc1ccc(C(=O)/C=C\C(Cl)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000098009180 563971074 /nfs/dbraw/zinc/97/10/74/563971074.db2.gz UBQZKVXFGLBCSM-YIEJYADJSA-N 0 0 327.767 4.922 50 30 EJEARN CCCCCCCNC(=O)CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000098045205 563971701 /nfs/dbraw/zinc/97/17/01/563971701.db2.gz HUOHTILHDFKHPI-UHFFFAOYSA-N 0 0 332.488 4.615 50 30 EJEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095719243 563977633 /nfs/dbraw/zinc/97/76/33/563977633.db2.gz FYQFWFHDPNXORA-UHFFFAOYSA-N 0 0 346.086 4.911 50 30 EJEARN CCCCCCCCc1nc(=O)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000100057680 563981570 /nfs/dbraw/zinc/98/15/70/563981570.db2.gz YJJSTPSFBSADRO-UHFFFAOYSA-N 0 0 348.512 4.739 50 30 EJEARN CC1(C)CC(=O)C(=CNc2ccc(Cl)cc2C(F)(F)F)C(=O)C1 ZINC000100863537 563982783 /nfs/dbraw/zinc/98/27/83/563982783.db2.gz RQUDRGAVYUDWBA-UHFFFAOYSA-N 0 0 345.748 4.613 50 30 EJEARN C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000014084054 563983174 /nfs/dbraw/zinc/98/31/74/563983174.db2.gz JRGFYPNXCDOODD-QGZVFWFLSA-N 0 0 343.401 4.717 50 30 EJEARN CCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 ZINC000033410895 563984325 /nfs/dbraw/zinc/98/43/25/563984325.db2.gz PTAIZCSROZOBKW-XGICHPGQSA-N 0 0 331.209 4.744 50 30 EJEARN Cc1ccc2c(ccc3c2[C@@H](c2ccccn2)C2=C(CCCC2=O)N3)n1 ZINC000000141008 563987113 /nfs/dbraw/zinc/98/71/13/563987113.db2.gz YVPMSDNAKOVTPI-JOCHJYFZSA-N 0 0 341.414 4.503 50 30 EJEARN C=CCn1c2ccccc2c2nnc(SCCc3ccccc3)nc21 ZINC000000209328 563988480 /nfs/dbraw/zinc/98/84/80/563988480.db2.gz UGXNADUNNPJQDD-UHFFFAOYSA-N 0 0 346.459 4.500 50 30 EJEARN CC(=O)c1ccc(N=Cc2cc(C)c(C)c(Br)c2O)cc1 ZINC000000225203 563988930 /nfs/dbraw/zinc/98/89/30/563988930.db2.gz XURMVUZZPQRBJW-DJKKODMXSA-N 0 0 346.224 4.725 50 30 EJEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(O)cc4O)c3)nc21 ZINC000000226561 563988937 /nfs/dbraw/zinc/98/89/37/563988937.db2.gz VLWBSSRDZIZUBM-WSDLNYQXSA-N 0 0 344.370 4.965 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000226898 563988956 /nfs/dbraw/zinc/98/89/56/563988956.db2.gz ZSGNJALRFCXPIS-JXMROGBWSA-N 0 0 342.851 4.804 50 30 EJEARN COc1ccc2cc(C#N)c(Nc3ccc(F)c(Cl)c3)nc2c1 ZINC000000269854 563989944 /nfs/dbraw/zinc/98/99/44/563989944.db2.gz UYWBYWNQFMLPRI-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000000320916 563991084 /nfs/dbraw/zinc/99/10/84/563991084.db2.gz MLBUFUBEBRSKPP-MDZDMXLPSA-N 0 0 342.851 4.804 50 30 EJEARN CCOc1ccc(/N=C2/c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000100242424 563991122 /nfs/dbraw/zinc/99/11/22/563991122.db2.gz IADDKCXMFDEECY-LNVKXUELSA-N 0 0 342.398 4.884 50 30 EJEARN C=CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OC ZINC000002093545 563996368 /nfs/dbraw/zinc/99/63/68/563996368.db2.gz FMPBGRVHIBCUHC-UHFFFAOYSA-N 0 0 333.815 4.534 50 30 EJEARN CC(=O)Nc1cc(-c2ccc(NC(C)=O)cc2)nn1-c1ccccc1 ZINC000000270760 563996645 /nfs/dbraw/zinc/99/66/45/563996645.db2.gz ZHEXWBVSNDOUBK-UHFFFAOYSA-N 0 0 334.379 4.755 50 30 EJEARN Cc1cc([N+](=O)[O-])ccc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000252462873 563997653 /nfs/dbraw/zinc/99/76/53/563997653.db2.gz WYSDZTNSQRTYIC-UHFFFAOYSA-N 0 0 325.151 4.666 50 30 EJEARN Clc1cccc(C=Nc2ccc(N3CCOCC3)cc2)c1Cl ZINC000252636325 563998023 /nfs/dbraw/zinc/99/80/23/563998023.db2.gz XHDBMYNJNZJRNN-UHFFFAOYSA-N 0 0 335.234 4.581 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 ZINC000000428106 563998855 /nfs/dbraw/zinc/99/88/55/563998855.db2.gz AAFCZIVLTILZBR-UNMCSNQZSA-N 0 0 348.442 4.623 50 30 EJEARN C[C@H](CCC#N)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 ZINC000253416141 563999155 /nfs/dbraw/zinc/99/91/55/563999155.db2.gz XOFHXHMRTYQOKQ-GFCCVEGCSA-N 0 0 337.452 4.546 50 30 EJEARN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000000059339 563999626 /nfs/dbraw/zinc/99/96/26/563999626.db2.gz RGLIWIXSLNXGMB-UHFFFAOYSA-N 0 0 325.220 4.796 50 30 EJEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005249734 564001480 /nfs/dbraw/zinc/00/14/80/564001480.db2.gz UYSRXQAYHMOEJW-NHDPSOOVSA-N 0 0 343.382 4.585 50 30 EJEARN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000005379998 564003169 /nfs/dbraw/zinc/00/31/69/564003169.db2.gz JNOXKKJQSPDODB-QRVIBDJDSA-N 0 0 346.337 4.655 50 30 EJEARN Cc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 ZINC000005376311 564003224 /nfs/dbraw/zinc/00/32/24/564003224.db2.gz HGZFNRQQQAYWNU-NVNXTCNLSA-N 0 0 346.814 4.679 50 30 EJEARN N#Cc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 ZINC000005456329 564004347 /nfs/dbraw/zinc/00/43/47/564004347.db2.gz KAXXHOYOBZORAB-UHFFFAOYSA-N 0 0 326.355 4.639 50 30 EJEARN CC(C)Cn1c(SCC#N)nnc1-c1ccc(Cl)cc1Cl ZINC000005535991 564005140 /nfs/dbraw/zinc/00/51/40/564005140.db2.gz KSPOEDRJVSGHQT-UHFFFAOYSA-N 0 0 341.267 4.524 50 30 EJEARN Oc1ccccc1CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000005576873 564005827 /nfs/dbraw/zinc/00/58/27/564005827.db2.gz HRCDBMLSWMBODO-LSHDLFTRSA-N 0 0 346.415 4.510 50 30 EJEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006048973 564006298 /nfs/dbraw/zinc/00/62/98/564006298.db2.gz NFUQZMYWDVRWRQ-RUDMXATFSA-N 0 0 335.186 4.676 50 30 EJEARN N#Cc1ccc(COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000005637530 564006861 /nfs/dbraw/zinc/00/68/61/564006861.db2.gz OHXPMCUSWRDPQS-UHFFFAOYSA-N 0 0 329.355 4.708 50 30 EJEARN Cc1ccc(N2[C@@H](C#N)c3ccccc3O[C@H]2c2ccccc2O)cc1 ZINC000017201367 564011398 /nfs/dbraw/zinc/01/13/98/564011398.db2.gz PKLILLXSSPWLOR-UGKGYDQZSA-N 0 0 342.398 4.863 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(C)c1 ZINC000000448685 564012633 /nfs/dbraw/zinc/01/26/33/564012633.db2.gz NRSRRFJWMFFOEC-UHFFFAOYSA-N 0 0 341.410 4.865 50 30 EJEARN CSC1=N/C(=C\c2ccccc2OCc2ccccc2)C(=O)S1 ZINC000005102582 564013946 /nfs/dbraw/zinc/01/39/46/564013946.db2.gz BZWYUBGELQJEJO-PTNGSMBKSA-N 0 0 341.457 4.599 50 30 EJEARN Cc1nc2cc(/N=C/c3ccccc3O)ccc2n1Cc1ccccc1 ZINC000000502401 564019071 /nfs/dbraw/zinc/01/90/71/564019071.db2.gz PNQRMWDRZVRYPD-OEAKJJBVSA-N 0 0 341.414 4.849 50 30 EJEARN COc1ccccc1/C=C\C(=O)c1c(Cl)n(C)c2ccccc21 ZINC000101414704 564019432 /nfs/dbraw/zinc/01/94/32/564019432.db2.gz YKRSRQNAWJHVJO-QXMHVHEDSA-N 0 0 325.795 4.736 50 30 EJEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1 ZINC000000543862 564022550 /nfs/dbraw/zinc/02/25/50/564022550.db2.gz XQZHOMJIMSNJCB-UHFFFAOYSA-N 0 0 332.407 4.518 50 30 EJEARN O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000103748924 564023112 /nfs/dbraw/zinc/02/31/12/564023112.db2.gz QSTYTUXCWQUINK-CJGMICOPSA-N 0 0 338.432 4.826 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1C ZINC000103847656 564023192 /nfs/dbraw/zinc/02/31/92/564023192.db2.gz NZKPNRPWPABLAI-BENRWUELSA-N 0 0 346.224 4.662 50 30 EJEARN C=CCc1cccc(/C=N/c2ccc(Cc3ccncc3)cc2)c1O ZINC000000578565 564024302 /nfs/dbraw/zinc/02/43/02/564024302.db2.gz KIWBQHIDCIPISB-LFVJCYFKSA-N 0 0 328.415 4.857 50 30 EJEARN COc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)c(OC)c1 ZINC000051318633 564024503 /nfs/dbraw/zinc/02/45/03/564024503.db2.gz QNZJKQIOQUUJGX-VAWYXSNFSA-N 0 0 325.408 4.636 50 30 EJEARN CCCCOc1ccc(CN=NC(=S)Nc2ccccc2)cc1 ZINC000019793111 564025148 /nfs/dbraw/zinc/02/51/48/564025148.db2.gz XQPUFCCVILNDLO-RGEXLXHISA-N 0 0 327.453 4.597 50 30 EJEARN CCOc1ccc(OCC)c(NC=CC(=O)c2ccc(C)c(C)c2)c1 ZINC000044843922 564027429 /nfs/dbraw/zinc/02/74/29/564027429.db2.gz OEEHMTHTCVRSJG-VAWYXSNFSA-N 0 0 339.435 4.909 50 30 EJEARN COc1cc(NC=CC(=O)c2cc(C)ccc2C)c(OC)cc1Cl ZINC000044844623 564027452 /nfs/dbraw/zinc/02/74/52/564027452.db2.gz JZJFVINHLXZKAT-BQYQJAHWSA-N 0 0 345.826 4.783 50 30 EJEARN C[C@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1F ZINC000109002097 564028621 /nfs/dbraw/zinc/02/86/21/564028621.db2.gz VTVMGZXELLYGGD-CYBMUJFWSA-N 0 0 325.412 4.704 50 30 EJEARN O=C1c2ccccc2C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000051367087 564031211 /nfs/dbraw/zinc/03/12/11/564031211.db2.gz XARFSZAXZZBZLJ-OAQYLSRUSA-N 0 0 349.393 4.659 50 30 EJEARN C=CCOc1cccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000002876122 564036178 /nfs/dbraw/zinc/03/61/78/564036178.db2.gz HGSFXMUCPMNWST-OAQYLSRUSA-N 0 0 335.447 4.913 50 30 EJEARN C#CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000002838379 564036280 /nfs/dbraw/zinc/03/62/80/564036280.db2.gz ZDWJHBGLXFXQNE-UHFFFAOYSA-N 0 0 329.827 4.671 50 30 EJEARN Cc1ccc(N2[C@@H](c3ccccc3O)Oc3ccccc3[C@H]2C#N)cc1 ZINC000001003570 564054039 /nfs/dbraw/zinc/05/40/39/564054039.db2.gz PKLILLXSSPWLOR-DENIHFKCSA-N 0 0 342.398 4.863 50 30 EJEARN Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1-c1ccccc1 ZINC000001054240 564054245 /nfs/dbraw/zinc/05/42/45/564054245.db2.gz LIBWCCMQSHZRIS-UHFFFAOYSA-N 0 0 338.457 4.838 50 30 EJEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(F)(F)F)sc2C1 ZINC000002749089 564054556 /nfs/dbraw/zinc/05/45/56/564054556.db2.gz HSNQGAACGGYDRH-SECBINFHSA-N 0 0 344.402 4.662 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257358532 564055986 /nfs/dbraw/zinc/05/59/86/564055986.db2.gz UZROOFLUFHWOJQ-GGGZUALOSA-N 0 0 332.459 4.672 50 30 EJEARN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082077136 564056114 /nfs/dbraw/zinc/05/61/14/564056114.db2.gz RUHXGWLESZDFTQ-BBRMVZONSA-N 0 0 342.405 4.672 50 30 EJEARN CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1OC(C)C ZINC000005906332 564056918 /nfs/dbraw/zinc/05/69/18/564056918.db2.gz QOZZFZVWRQWOSB-UDWIEESQSA-N 0 0 332.831 4.972 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Br)cc1)CC2 ZINC000005908870 564056923 /nfs/dbraw/zinc/05/69/23/564056923.db2.gz XJPZKENTSBNCKW-UVTDQMKNSA-N 0 0 343.220 4.670 50 30 EJEARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C#N)cc4)cc3c2C1 ZINC000012590407 564060235 /nfs/dbraw/zinc/06/02/35/564060235.db2.gz LYZCFRKFAYCBGZ-AWEZNQCLSA-N 0 0 344.414 4.521 50 30 EJEARN O=C(O/N=C/C1=C(Cl)c2ccccc2CC1)c1ccc(F)cc1 ZINC000004091916 564062047 /nfs/dbraw/zinc/06/20/47/564062047.db2.gz IXXTZXFVDRBURD-SRZZPIQSSA-N 0 0 329.758 4.565 50 30 EJEARN CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1 ZINC000001275727 564062842 /nfs/dbraw/zinc/06/28/42/564062842.db2.gz DFDNVCIINLDGOQ-RGVLZGJSSA-N 0 0 340.766 4.671 50 30 EJEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1 ZINC000001382439 564063921 /nfs/dbraw/zinc/06/39/21/564063921.db2.gz IRDCYHWGZWHFDM-UHFFFAOYSA-N 0 0 330.412 4.962 50 30 EJEARN C#CCn1c2cc(Cl)c(Cl)cc2nc1-c1cccnc1Cl ZINC000001382157 564064029 /nfs/dbraw/zinc/06/40/29/564064029.db2.gz AHEZCWOUZNZXGA-UHFFFAOYSA-N 0 0 336.609 4.692 50 30 EJEARN N#C[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001397660 564064789 /nfs/dbraw/zinc/06/47/89/564064789.db2.gz YLDUJEAVNSGVLO-CYBMUJFWSA-N 0 0 348.627 4.983 50 30 EJEARN C=C(C)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005246870 564070570 /nfs/dbraw/zinc/07/05/70/564070570.db2.gz ZKMCGBODKAQJJC-UHFFFAOYSA-N 0 0 326.465 4.663 50 30 EJEARN Cc1ccc(Nc2nnc(SCc3ccccc3C#N)s2)cc1 ZINC000006044409 564072505 /nfs/dbraw/zinc/07/25/05/564072505.db2.gz AQSOPASQNJSZMU-UHFFFAOYSA-N 0 0 338.461 4.754 50 30 EJEARN CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000006048572 564072750 /nfs/dbraw/zinc/07/27/50/564072750.db2.gz WZEQJQKPLCSNQF-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN C=CCOc1ccc([C@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000013468761 564073851 /nfs/dbraw/zinc/07/38/51/564073851.db2.gz HCTSNRAHSVKAGC-UNMCSNQZSA-N 0 0 332.447 4.595 50 30 EJEARN C=CCN(C(=O)c1ccc2ccccc2n1)c1nc2ccccc2s1 ZINC000015639893 564074401 /nfs/dbraw/zinc/07/44/01/564074401.db2.gz QBTYODWXVBXUFP-UHFFFAOYSA-N 0 0 345.427 4.677 50 30 EJEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc(C)c1 ZINC000016711387 564074481 /nfs/dbraw/zinc/07/44/81/564074481.db2.gz MTLDFUJTZXTKAN-MRCUWXFGSA-N 0 0 336.460 4.952 50 30 EJEARN C=CCSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000002066433 564074789 /nfs/dbraw/zinc/07/47/89/564074789.db2.gz NCBBWBGBFVDBJB-SNVBAGLBSA-N 0 0 333.526 4.703 50 30 EJEARN CCC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 ZINC000012860278 564075691 /nfs/dbraw/zinc/07/56/91/564075691.db2.gz FMVOBCQQXATOIP-GOSISDBHSA-N 0 0 347.418 4.522 50 30 EJEARN Cc1cc(C)c(NC2=C(Cl)C(=O)c3ccccc3C2=O)c(C)c1 ZINC000000179076 564075888 /nfs/dbraw/zinc/07/58/88/564075888.db2.gz ZIRZHLIONIJTPB-UHFFFAOYSA-N 0 0 325.795 4.553 50 30 EJEARN CC(C)c1c(C#N)c2c(nc1N1CCCCC1)CSC(C)(C)C2 ZINC000075260309 564081290 /nfs/dbraw/zinc/08/12/90/564081290.db2.gz XVUMSPYPZRSIRP-UHFFFAOYSA-N 0 0 329.513 4.635 50 30 EJEARN O=[N+]([O-])c1ccccc1SNN=C(c1ccccc1)c1ccccc1 ZINC000075278980 564081435 /nfs/dbraw/zinc/08/14/35/564081435.db2.gz NSGVMNQFFDAESA-UHFFFAOYSA-N 0 0 349.415 4.644 50 30 EJEARN N#CCCn1c2ccccc2nc1CCSc1ccc(Cl)cc1 ZINC000075284437 564081531 /nfs/dbraw/zinc/08/15/31/564081531.db2.gz LCEDAZVHPAVVBA-UHFFFAOYSA-N 0 0 341.867 4.938 50 30 EJEARN C=C(C)CNC(=S)Nc1ccc(Oc2ccc(OCC)cc2)cc1 ZINC000016306804 564081799 /nfs/dbraw/zinc/08/17/99/564081799.db2.gz ACELKFRUCDMFFR-UHFFFAOYSA-N 0 0 342.464 4.740 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC ZINC000007741478 564082124 /nfs/dbraw/zinc/08/21/24/564082124.db2.gz MIARTQJJEJNPQI-RUDMXATFSA-N 0 0 334.774 4.783 50 30 EJEARN N#Cc1ccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000002618580 564082692 /nfs/dbraw/zinc/08/26/92/564082692.db2.gz AYJKSCZXVOIUKK-UHFFFAOYSA-N 0 0 331.346 4.507 50 30 EJEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000191481633 564086360 /nfs/dbraw/zinc/08/63/60/564086360.db2.gz VVPBSAZPLBORDX-IEBWSBKVSA-N 0 0 342.483 4.618 50 30 EJEARN c1ccc(/N=C2\O[C@@H](COc3ccccc3)CN2c2ccccc2)cc1 ZINC000013511534 564086934 /nfs/dbraw/zinc/08/69/34/564086934.db2.gz OYWOXRIHKJOTHN-XSSWQJIQSA-N 0 0 344.414 4.659 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000005068898 564093210 /nfs/dbraw/zinc/09/32/10/564093210.db2.gz LNRWVRSKPSBSSA-FQEVSTJZSA-N 0 0 326.399 4.799 50 30 EJEARN C=CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 ZINC000006652514 564095444 /nfs/dbraw/zinc/09/54/44/564095444.db2.gz DIDLJSFNVPRBHK-UHFFFAOYSA-N 0 0 342.851 4.626 50 30 EJEARN O=C1CC2(CCCCC2)CC(=O)C1=CNc1cccc2c(O)cccc12 ZINC000170063719 564105188 /nfs/dbraw/zinc/10/51/88/564105188.db2.gz YSXCVZQIZAEPBG-UHFFFAOYSA-N 0 0 349.430 4.724 50 30 EJEARN N#Cc1c(Cl)nsc1NCC(c1ccccc1)c1ccccc1 ZINC000065623082 564108488 /nfs/dbraw/zinc/10/84/88/564108488.db2.gz ZHPYSGJKENZGCA-UHFFFAOYSA-N 0 0 339.851 4.912 50 30 EJEARN CCc1oc2ccccc2c1CN(C)c1snc(Cl)c1C#N ZINC000170632045 564110685 /nfs/dbraw/zinc/11/06/85/564110685.db2.gz DLYBPNRZPCFJDO-UHFFFAOYSA-N 0 0 331.828 4.613 50 30 EJEARN COc1ccc(OC)c(Nc2c(C#N)cnc3ccc(Cl)cc32)c1 ZINC000016840724 564113779 /nfs/dbraw/zinc/11/37/79/564113779.db2.gz SJMINXGCKORZGU-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN CCOc1ccc2ncc(C#N)c(NCc3cccc(Cl)c3)c2c1 ZINC000016841797 564113820 /nfs/dbraw/zinc/11/38/20/564113820.db2.gz GOMUPKKHGFTMGZ-UHFFFAOYSA-N 0 0 337.810 4.771 50 30 EJEARN C=C[C@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 ZINC000090000690 564116148 /nfs/dbraw/zinc/11/61/48/564116148.db2.gz XISCYFFPXUEVNX-GFCCVEGCSA-N 0 0 348.215 4.887 50 30 EJEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000210469 564116643 /nfs/dbraw/zinc/11/66/43/564116643.db2.gz GIDGOTRHCNXXKW-NRFANRHFSA-N 0 0 348.446 4.917 50 30 biogenic EJEARN Clc1cc(N=Cc2ccc3c(c2)OCO3)ccc1Br ZINC000252460845 564118696 /nfs/dbraw/zinc/11/86/96/564118696.db2.gz IOFGZAPXOLKLSQ-UHFFFAOYSA-N 0 0 338.588 4.582 50 30 EJEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c(O)ccc2ccccc21 ZINC000252483815 564119243 /nfs/dbraw/zinc/11/92/43/564119243.db2.gz FIYVUWNSHDPMPP-BOPFTXTBSA-N 0 0 349.773 4.543 50 30 EJEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000007606221 564120893 /nfs/dbraw/zinc/12/08/93/564120893.db2.gz WWZXFLHHSODGLG-LIRRHRJNSA-N 0 0 332.513 4.519 50 30 EJEARN COc1ccc(C=Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000252595529 564121109 /nfs/dbraw/zinc/12/11/09/564121109.db2.gz CBRRAGFRFGVACL-UHFFFAOYSA-N 0 0 330.387 4.698 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000252600720 564121153 /nfs/dbraw/zinc/12/11/53/564121153.db2.gz DTHOQWRCORRYTE-UHFFFAOYSA-N 0 0 341.754 4.954 50 30 EJEARN CCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 ZINC000002207089 564121190 /nfs/dbraw/zinc/12/11/90/564121190.db2.gz ZVKVRIBSGVOVKQ-XDJHFCHBSA-N 0 0 335.403 4.600 50 30 EJEARN CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252603598 564121249 /nfs/dbraw/zinc/12/12/49/564121249.db2.gz FSIGWXQHNOGDFP-FNLGWUMESA-N 0 0 347.443 4.792 50 30 EJEARN CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252603599 564121258 /nfs/dbraw/zinc/12/12/58/564121258.db2.gz FSIGWXQHNOGDFP-OUCYFQBSSA-N 0 0 347.443 4.792 50 30 EJEARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C ZINC000007756673 564122696 /nfs/dbraw/zinc/12/26/96/564122696.db2.gz JUFBXLPOXXITSU-UHFFFAOYSA-N 0 0 347.443 4.859 50 30 EJEARN CC(C)/N=C1\NN=C(c2c[nH]c3ccccc32)[C@H](c2ccccc2)S1 ZINC000007780940 564123222 /nfs/dbraw/zinc/12/32/22/564123222.db2.gz MKZFVDANAVKKJI-IBGZPJMESA-N 0 0 348.475 4.714 50 30 EJEARN CCCCc1nc(NC(C)=O)c(C#N)c(-c2ccccc2)c1CCC ZINC000002271902 564125429 /nfs/dbraw/zinc/12/54/29/564125429.db2.gz TZFPKZITYNVVPU-UHFFFAOYSA-N 0 0 335.451 4.874 50 30 EJEARN CCCCCn1c2ccccc2nc1/N=C/c1nc2ccccc2n1C ZINC000002293953 564131717 /nfs/dbraw/zinc/13/17/17/564131717.db2.gz HQQWOKZDOOXGOK-PXLXIMEGSA-N 0 0 345.450 4.864 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCc3ccccc3)sc2C1 ZINC000000028432 564132731 /nfs/dbraw/zinc/13/27/31/564132731.db2.gz BDKSGJFAJHJHBQ-AWEZNQCLSA-N 0 0 338.476 4.706 50 30 EJEARN N#Cc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1 ZINC000000113878 564132830 /nfs/dbraw/zinc/13/28/30/564132830.db2.gz HETJZTQPCCIZDW-UHFFFAOYSA-N 0 0 346.440 4.867 50 30 EJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1 ZINC000000133296 564132870 /nfs/dbraw/zinc/13/28/70/564132870.db2.gz SILUSGJNEZFCDK-MARXPDLDSA-N 0 0 336.460 4.787 50 30 EJEARN CCOc1nc2c(c(-c3ccc(OC)cc3)c1C#N)Cc1ccccc1-2 ZINC000000159520 564132906 /nfs/dbraw/zinc/13/29/06/564132906.db2.gz ZSNWICSGQWAROX-UHFFFAOYSA-N 0 0 342.398 4.599 50 30 EJEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000000514023 564133334 /nfs/dbraw/zinc/13/33/34/564133334.db2.gz SSBZBIPSYMXLRG-UHFFFAOYSA-N 0 0 337.231 4.668 50 30 EJEARN N#Cc1cccc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)c1 ZINC000065397624 564134309 /nfs/dbraw/zinc/13/43/09/564134309.db2.gz RRVYEVZCYCJYHK-UHFFFAOYSA-N 0 0 336.398 4.532 50 30 EJEARN C[C@@H]1CCCN(c2oc(Cc3cccc4ccccc43)nc2C#N)C1 ZINC000027742787 564134360 /nfs/dbraw/zinc/13/43/60/564134360.db2.gz AARPVWCSUGZXPR-OAHLLOKOSA-N 0 0 331.419 4.527 50 30 EJEARN CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1ccccc1C#N ZINC000065499303 564134361 /nfs/dbraw/zinc/13/43/61/564134361.db2.gz NBVZDLLNKQXQPE-GOSISDBHSA-N 0 0 331.419 4.686 50 30 EJEARN N#Cc1c(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)sc2c1CCCCCC2 ZINC000012379050 564135233 /nfs/dbraw/zinc/13/52/33/564135233.db2.gz HZTVMUPFFFOFAU-VNHYZAJKSA-N 0 0 328.481 4.653 50 30 EJEARN CC(=O)Nc1cc(-c2nc(-c3ccc(F)cc3F)cs2)ccn1 ZINC000328593526 564136763 /nfs/dbraw/zinc/13/67/63/564136763.db2.gz DXPHGDSOGSKBKW-UHFFFAOYSA-N 0 0 331.347 4.758 50 30 EJEARN Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1NC(=O)C(C)(C)C ZINC000124473872 564138175 /nfs/dbraw/zinc/13/81/75/564138175.db2.gz RQEWAHYUUOCTFS-UHFFFAOYSA-N 0 0 339.414 4.603 50 30 EJEARN N#Cc1ccc(N[C@@H](c2cc3ccccc3o2)c2ccccc2)nc1 ZINC000095946985 564142247 /nfs/dbraw/zinc/14/22/47/564142247.db2.gz BMUHBXDSKFKGHD-OAQYLSRUSA-N 0 0 325.371 4.901 50 30 EJEARN C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1SCCC#N ZINC000095953489 564142424 /nfs/dbraw/zinc/14/24/24/564142424.db2.gz YZZNMOJBUNBRHC-AWEZNQCLSA-N 0 0 342.489 4.812 50 30 EJEARN COc1cccc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)c1OC ZINC000096035546 564145109 /nfs/dbraw/zinc/14/51/09/564145109.db2.gz SQETUQJRGHUONB-KHPPLWFESA-N 0 0 345.464 4.662 50 30 EJEARN CC(C)(C)c1nc2cc(NC(=O)[C@]3(C#N)CC34CCCC4)ccc2o1 ZINC000333218569 564146003 /nfs/dbraw/zinc/14/60/03/564146003.db2.gz REUKMGSHGYJACW-HXUWFJFHSA-N 0 0 337.423 4.538 50 30 EJEARN Cc1cccc(N2Cc3ccccc3C2=NC(=O)c2ccccc2)c1 ZINC000254520934 564146593 /nfs/dbraw/zinc/14/65/93/564146593.db2.gz KTGPTXHTIVYAAV-UHFFFAOYSA-N 0 0 326.399 4.602 50 30 EJEARN O=C1/C(=C\c2cccs2)CN(CC2CC2)C/C1=C/c1cccs1 ZINC000096314572 564146729 /nfs/dbraw/zinc/14/67/29/564146729.db2.gz IGZITWLXLJDRFB-VULZFCBJSA-N 0 0 341.501 4.571 50 30 EJEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCc1cccs1 ZINC000096346297 564146833 /nfs/dbraw/zinc/14/68/33/564146833.db2.gz IUVGKBHFCLEIHK-CVEARBPZSA-N 0 0 335.432 4.533 50 30 EJEARN CC(/C=C/C(=O)c1cccc(N2CCCC2=O)c1)=C\c1ccccc1 ZINC000096402147 564147141 /nfs/dbraw/zinc/14/71/41/564147141.db2.gz YCCQNOLFLILIKU-NETDEZLDSA-N 0 0 331.415 4.656 50 30 EJEARN N#Cc1cnn2c1N[C@@H](c1ccc3ccccc3c1)C[C@@H]2C(F)(F)F ZINC000002747944 564152436 /nfs/dbraw/zinc/15/24/36/564152436.db2.gz KTMODFAARXPDQS-HZPDHXFCSA-N 0 0 342.324 4.568 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000003168856 564155577 /nfs/dbraw/zinc/15/55/77/564155577.db2.gz FLSBNWVRLHYSHB-UHFFFAOYSA-N 0 0 344.484 4.751 50 30 EJEARN Cc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2)cc1C ZINC000003288985 564156999 /nfs/dbraw/zinc/15/69/99/564156999.db2.gz TYRINKKOZILWPZ-UHFFFAOYSA-N 0 0 334.448 4.557 50 30 EJEARN N#Cc1ccccc1OCCSC1=Nc2ccccc2CS1 ZINC000058407061 564159028 /nfs/dbraw/zinc/15/90/28/564159028.db2.gz XZBUFFPWWOANAY-UHFFFAOYSA-N 0 0 326.446 4.605 50 30 EJEARN CN(C)c1ccc(/C=C\C(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000032196215 564161036 /nfs/dbraw/zinc/16/10/36/564161036.db2.gz UKBRUGFANDKMQW-NVNXTCNLSA-N 0 0 327.427 4.901 50 30 EJEARN N#CCSc1nc2ccccc2c(Nc2ccccc2Cl)n1 ZINC000008728836 564167051 /nfs/dbraw/zinc/16/70/51/564167051.db2.gz QMWDLIQIKNRDJO-UHFFFAOYSA-N 0 0 326.812 4.642 50 30 EJEARN CC(C)n1ncc2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 ZINC000009051244 564168673 /nfs/dbraw/zinc/16/86/73/564168673.db2.gz BHECBULUERGKLT-SFHVURJKSA-N 0 0 335.451 4.665 50 30 EJEARN N#CCCCOc1cccc(CN[C@H](c2ccco2)c2ccccc2)c1 ZINC000069452988 564169603 /nfs/dbraw/zinc/16/96/03/564169603.db2.gz AOSFXUWKXIOTPS-QFIPXVFZSA-N 0 0 346.430 4.841 50 30 EJEARN CCSc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000010252537 564175149 /nfs/dbraw/zinc/17/51/49/564175149.db2.gz BDAFEBZDCZEFOX-UHFFFAOYSA-N 0 0 330.478 4.530 50 30 EJEARN CC(Nc1ccc(C)cc1)=C1C(=O)CC(c2ccc(F)cc2)CC1=O ZINC000004741430 210266082 /nfs/dbraw/zinc/26/60/82/210266082.db2.gz FTCTWVFVBVKKTE-UHFFFAOYSA-N 0 0 337.394 4.536 50 30 EJEARN O=C(/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000051105001 214079069 /nfs/dbraw/zinc/07/90/69/214079069.db2.gz SWSHNAWSMZANNC-NBVRZTHBSA-N 0 0 340.382 4.692 50 30 EJEARN O=C(C=CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004706706 210255438 /nfs/dbraw/zinc/25/54/38/210255438.db2.gz QOKFFOIWIKXBEC-FPLPWBNLSA-N 0 0 337.162 4.710 50 30 EJEARN COc1cc(/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000004703536 210253914 /nfs/dbraw/zinc/25/39/14/210253914.db2.gz VBYQYJRYGVYGKT-DJKKODMXSA-N 0 0 340.206 4.770 50 30 EJEARN CC/N=C1/S/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)N1CC ZINC000004694926 210250194 /nfs/dbraw/zinc/25/01/94/210250194.db2.gz WPKPEWYIXYZASY-QLJNEMMGSA-N 0 0 345.512 4.532 50 30 EJEARN COc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OC)C1=O ZINC000004692957 210249014 /nfs/dbraw/zinc/24/90/14/210249014.db2.gz LFFCQFHMMDURLU-JSAVKQRWSA-N 0 0 334.415 4.924 50 30 EJEARN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000004660297 210240070 /nfs/dbraw/zinc/24/00/70/210240070.db2.gz GLZWWWRACRQACE-CQVIYSMGSA-N 0 0 334.444 4.867 50 30 EJEARN CCCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976980 219065839 /nfs/dbraw/zinc/06/58/39/219065839.db2.gz QMFBDNMCVBKPLS-LBPRGKRZSA-N 0 0 345.742 4.548 50 30 EJEARN CCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000098022967 219071298 /nfs/dbraw/zinc/07/12/98/219071298.db2.gz OTWJUBWJJSHWDE-UHFFFAOYSA-N 0 0 335.488 4.677 50 30 EJEARN CCCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C)CC2 ZINC000004620415 210233219 /nfs/dbraw/zinc/23/32/19/210233219.db2.gz YAEBAHPKIALFPV-JTQLQIEISA-N 0 0 328.403 4.989 50 30 EJEARN COC1=CC(=O)SC1=CNc1ccc(Oc2ccccc2)cc1 ZINC000100318306 219097106 /nfs/dbraw/zinc/09/71/06/219097106.db2.gz HCLPDERSWNQZSY-ATVHPVEESA-N 0 0 325.389 4.536 50 30 EJEARN C=CCN1C(=O)/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000100392401 219098193 /nfs/dbraw/zinc/09/81/93/219098193.db2.gz XSOQXEYPILWLCT-SILNSSARSA-N 0 0 331.202 4.647 50 30 EJEARN Cn1c2ccccc2cc/c1=N\N=C1c2ccccc2-c2ccccc21 ZINC000004459119 210195376 /nfs/dbraw/zinc/19/53/76/210195376.db2.gz UPPBIMDRNQERCE-ZNTNEXAZSA-N 0 0 335.410 4.512 50 30 EJEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/C1CCCCC1 ZINC000100669653 219104449 /nfs/dbraw/zinc/10/44/49/219104449.db2.gz VQLBRHPMILDSMI-FLFQWRMESA-N 0 0 348.446 4.717 50 30 EJEARN N#Cc1c2c(sc1NC=C1Sc3ccccc3C1=O)CCCC2 ZINC000100877440 219110100 /nfs/dbraw/zinc/11/01/00/219110100.db2.gz GIJJXRGWPZRGGY-MHWRWJLKSA-N 0 0 338.457 4.740 50 30 EJEARN C=CCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000004357613 210179172 /nfs/dbraw/zinc/17/91/72/210179172.db2.gz UTZMWQLBZAIVBG-UHFFFAOYSA-N 0 0 325.412 4.660 50 30 EJEARN Cc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 ZINC000101203175 219118474 /nfs/dbraw/zinc/11/84/74/219118474.db2.gz FRQWGOMGWDWQDF-OEAKJJBVSA-N 0 0 339.398 4.649 50 30 EJEARN C=CCC1=C(O)C(=C2Sc3ccccc3N2CC)SC1=S ZINC000101196443 219118921 /nfs/dbraw/zinc/11/89/21/219118921.db2.gz UPCZEHCWRAYRMR-PQJBRBTKSA-N 0 0 333.503 4.623 50 30 EJEARN C=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1O ZINC000101332546 219122724 /nfs/dbraw/zinc/12/27/24/219122724.db2.gz YSWWASCLSKNMKN-YBFXNURJSA-N 0 0 330.225 4.942 50 30 EJEARN Cc1ccc(CN=Nc2ncnc3sc(-c4ccccc4)cc32)o1 ZINC000004335475 210174453 /nfs/dbraw/zinc/17/44/53/210174453.db2.gz VXNYMOWVHYLQSH-UFFVCSGVSA-N 0 0 334.404 4.706 50 30 EJEARN O=C(ON=C1C2CC3CC(C2)CC1C3)c1cccc(C(F)(F)F)c1 ZINC000004323911 210170715 /nfs/dbraw/zinc/17/07/15/210170715.db2.gz RQILBGHVDCNVFK-UHFFFAOYSA-N 0 0 337.341 4.674 50 30 EJEARN CCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000004314237 210167539 /nfs/dbraw/zinc/16/75/39/210167539.db2.gz PTAIZCSROZOBKW-LFYBBSHMSA-N 0 0 331.209 4.744 50 30 EJEARN C=C(C)COc1ccc2c3c(c(=O)oc2c1OCC(=C)C)CCCC3 ZINC000004307167 210166729 /nfs/dbraw/zinc/16/67/29/210166729.db2.gz NTCVMJYZZYQDRU-UHFFFAOYSA-N 0 0 340.419 4.582 50 30 EJEARN CC1CCN(c2oc(Cc3cccc4ccccc43)nc2C#N)CC1 ZINC000004301712 210163460 /nfs/dbraw/zinc/16/34/60/210163460.db2.gz VCBAMHBXHPKNGD-UHFFFAOYSA-N 0 0 331.419 4.527 50 30 EJEARN O=[N+]([O-])c1cc(-c2ccc(C=NNc3ccccc3)o2)ccc1Cl ZINC000004190750 210142045 /nfs/dbraw/zinc/14/20/45/210142045.db2.gz HHNSGYKAVOSLNF-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN CC(=O)N(/C=C/C=C/C=C1\Sc2ccccc2C1=O)c1ccccc1 ZINC000004119606 210125111 /nfs/dbraw/zinc/12/51/11/210125111.db2.gz XNTRBVIDEXYJQL-UPBRMONOSA-N 0 0 347.439 4.982 50 30 EJEARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1C ZINC000004075655 210112944 /nfs/dbraw/zinc/11/29/44/210112944.db2.gz QFZAODJRNCFMFL-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN N#Cc1c([C@H](C#N)c2ccccc2)cccc1[C@@H](C#N)c1ccccc1 ZINC000013398530 201893544 /nfs/dbraw/zinc/89/35/44/201893544.db2.gz DMNVMXPIBQUCCD-SZPZYZBQSA-N 0 0 333.394 4.869 50 30 EJEARN CCOc1ccccc1-c1c2c(nc(C)c1C#N)-c1ccccc1C2=O ZINC000004050671 210107959 /nfs/dbraw/zinc/10/79/59/210107959.db2.gz BOIVHMJSIVJRDE-UHFFFAOYSA-N 0 0 340.382 4.539 50 30 EJEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc(Br)cc2)cc1 ZINC000004017910 210102076 /nfs/dbraw/zinc/10/20/76/210102076.db2.gz UPDMQIDDGBRUQE-CPNJWEJPSA-N 0 0 346.272 4.741 50 30 EJEARN Cc1[nH]nc2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004010347 210100507 /nfs/dbraw/zinc/10/05/07/210100507.db2.gz LQYLKYFKOACEGO-INIZCTEOSA-N 0 0 341.842 4.572 50 30 EJEARN Fc1ccc(NN=C(c2ccccc2)c2ccccn2)cc1Cl ZINC000003909026 210091432 /nfs/dbraw/zinc/09/14/32/210091432.db2.gz DVYKBPCCOZUJQZ-NKFKGCMQSA-N 0 0 325.774 4.739 50 30 EJEARN C=C(C)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 ZINC000003420858 210034960 /nfs/dbraw/zinc/03/49/60/210034960.db2.gz ZHFCYTDXMMBEKC-OAHLLOKOSA-N 0 0 336.460 4.674 50 30 EJEARN O=C1/C(=C/c2ccco2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000103710610 219321391 /nfs/dbraw/zinc/32/13/91/219321391.db2.gz QSTYTUXCWQUINK-CAUPHXMNSA-N 0 0 338.432 4.826 50 30 EJEARN C=CCNc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000002464448 209853493 /nfs/dbraw/zinc/85/34/93/209853493.db2.gz UFRABXPWGAAAQK-UHFFFAOYSA-N 0 0 337.814 4.593 50 30 EJEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 ZINC000040287922 213288819 /nfs/dbraw/zinc/28/88/19/213288819.db2.gz USKNSFHMPWADAA-HNNXBMFYSA-N 0 0 331.400 4.805 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)o1 ZINC000040146086 213273072 /nfs/dbraw/zinc/27/30/72/213273072.db2.gz JCVHVZBBBIVRCI-CMDGGOBGSA-N 0 0 347.201 4.977 50 30 EJEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccccc1 ZINC000000567630 209667152 /nfs/dbraw/zinc/66/71/52/209667152.db2.gz CYHVVHAUOXBPBD-UHFFFAOYSA-N 0 0 341.410 4.686 50 30 EJEARN CCCCCNc1nc(CCCC)c2c(c1C#N)CC(C)(C)OC2 ZINC000020828967 202056065 /nfs/dbraw/zinc/05/60/65/202056065.db2.gz BNNZRYYJMKZUGO-UHFFFAOYSA-N 0 0 329.488 4.749 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1C ZINC000000428111 209594331 /nfs/dbraw/zinc/59/43/31/209594331.db2.gz QGVCDIKDCBGORG-RBBKRZOGSA-N 0 0 348.442 4.623 50 30 EJEARN COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Cl)c1OC ZINC000033731409 212961994 /nfs/dbraw/zinc/96/19/94/212961994.db2.gz CRSQDXKSDXZGJV-ZROIWOOFSA-N 0 0 328.795 4.570 50 30 EJEARN CCCCCCCCCCCCCCCCS(=O)(=O)CCO ZINC000100310228 202277612 /nfs/dbraw/zinc/27/76/12/202277612.db2.gz OAOWTDYTNKQXBW-UHFFFAOYSA-N 0 0 334.566 4.875 50 30 EJEARN CCC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C1 ZINC000035347542 202298496 /nfs/dbraw/zinc/29/84/96/202298496.db2.gz ZXMPPZQWSDETMJ-OAHLLOKOSA-N 0 0 349.478 4.752 50 30 EJEARN COc1cccc(/C=N/N=C2c3ccccc3-c3ccccc32)c1OC ZINC000000255719 209505979 /nfs/dbraw/zinc/50/59/79/209505979.db2.gz YTIGININNOJGNC-OEAKJJBVSA-N 0 0 342.398 4.556 50 30 EJEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000000186238 209471609 /nfs/dbraw/zinc/47/16/09/209471609.db2.gz UMCSZBBVDPMJBP-OAQYLSRUSA-N 0 0 348.446 4.923 50 30 EJEARN Cc1noc(C)c1C=C1SC(=O)N=C1Nc1cccc(Cl)c1 ZINC000072401860 216194335 /nfs/dbraw/zinc/19/43/35/216194335.db2.gz JVBIWEHNIKELLJ-QPEQYQDCSA-N 0 0 333.800 4.677 50 30 EJEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000000107457 209425185 /nfs/dbraw/zinc/42/51/85/209425185.db2.gz LQCFCHBEGMRWQL-OAQYLSRUSA-N 0 0 334.419 4.671 50 30 EJEARN Cc1ccc(O)c([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000090271 209413345 /nfs/dbraw/zinc/41/33/45/209413345.db2.gz QEHZDRWLINJKEE-OAQYLSRUSA-N 0 0 348.446 4.923 50 30 EJEARN COc1cc(OC)c(/C=N/c2ccc(C)cc2C)cc1Br ZINC000000068351 209399778 /nfs/dbraw/zinc/39/97/78/209399778.db2.gz YHTLZBIPUYAGPY-VXLYETTFSA-N 0 0 348.240 4.834 50 30 EJEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000013625862 201365436 /nfs/dbraw/zinc/36/54/36/201365436.db2.gz NFWPEHZZJBPQEK-YJMOAXFXSA-N 0 0 348.398 4.811 50 30 EJEARN COc1ccc2c(c1)CC/C(=C/c1csc(-c3ccco3)n1)C2=O ZINC000096401872 201376988 /nfs/dbraw/zinc/37/69/88/201376988.db2.gz JZPREMLJXSBLID-LCYFTJDESA-N 0 0 337.400 4.624 50 30 EJEARN CC1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C\c2ccc(C#N)cc2)C1 ZINC000096793757 201377973 /nfs/dbraw/zinc/37/79/73/201377973.db2.gz WOCLVPJDTLLCMY-HDSGJDLKSA-N 0 0 338.410 4.896 50 30 EJEARN N#Cc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023336616 212369004 /nfs/dbraw/zinc/36/90/04/212369004.db2.gz YOMPUEDCWADMAQ-UHFFFAOYSA-N 0 0 340.338 4.762 50 30 EJEARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2SCC#N)cc1 ZINC000023057322 212345862 /nfs/dbraw/zinc/34/58/62/212345862.db2.gz XAZQOLQYVLZOOI-OAHLLOKOSA-N 0 0 338.476 4.917 50 30 EJEARN O=C1c2ccccc2S/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000195758293 241034876 /nfs/dbraw/zinc/03/48/76/241034876.db2.gz LZGFADVSTAVOMP-LDADJPATSA-N 0 0 348.383 4.715 50 30 EJEARN C=CCOC(=O)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000216813760 241212925 /nfs/dbraw/zinc/21/29/25/241212925.db2.gz QCBHGTLUCPDRQR-UHFFFAOYSA-N 0 0 337.202 4.915 50 30 EJEARN CCn1c(/C=N/c2nc3cc(C)c(C)cc3n2CC)nc2ccccc21 ZINC000000349473 201462745 /nfs/dbraw/zinc/46/27/45/201462745.db2.gz CUWGABBDSOEHCL-LPYMAVHISA-N 0 0 345.450 4.793 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)o1 ZINC000022016408 212269583 /nfs/dbraw/zinc/26/95/83/212269583.db2.gz VVYVRQUDBDMJDG-MDZDMXLPSA-N 0 0 326.783 4.632 50 30 EJEARN N#Cc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000021908647 212262846 /nfs/dbraw/zinc/26/28/46/212262846.db2.gz XNEZVMAXQCBXGO-UHFFFAOYSA-N 0 0 333.441 4.882 50 30 EJEARN N#CC1(CCCSc2nc3cc(Cl)ccc3o2)CCOCC1 ZINC000225569300 241931416 /nfs/dbraw/zinc/93/14/16/241931416.db2.gz BYQOHPJUQLFPPV-UHFFFAOYSA-N 0 0 336.844 4.674 50 30 EJEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000021660296 212238251 /nfs/dbraw/zinc/23/82/51/212238251.db2.gz CEPYRKHJFMICQJ-INIZCTEOSA-N 0 0 342.826 4.837 50 30 EJEARN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000238809284 242946948 /nfs/dbraw/zinc/94/69/48/242946948.db2.gz OOACYHPBBJELLX-UAPYVXQJSA-N 0 0 347.458 5.851 50 30 EJEARN COc1ccc2cc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc2c1 ZINC000005128969 201640655 /nfs/dbraw/zinc/64/06/55/201640655.db2.gz DQUNBQTYBQHQPX-PKNBQFBNSA-N 0 0 333.343 4.653 50 30 EJEARN CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccccc2)n1 ZINC000019820818 212072355 /nfs/dbraw/zinc/07/23/55/212072355.db2.gz YXNGBBMSQUFKOG-CJNGLKHVSA-N 0 0 338.480 4.728 50 30 EJEARN CC[C@H](C)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019794130 212068663 /nfs/dbraw/zinc/06/86/63/212068663.db2.gz YZMXUTBKUFMDPB-JTQLQIEISA-N 0 0 332.860 4.601 50 30 EJEARN CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccccc2)n1 ZINC000019820816 212071923 /nfs/dbraw/zinc/07/19/23/212071923.db2.gz YXNGBBMSQUFKOG-CZUORRHYSA-N 0 0 338.480 4.728 50 30 EJEARN N#Cc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 ZINC000019506754 212034611 /nfs/dbraw/zinc/03/46/11/212034611.db2.gz TZEKNUPVRAMJEB-UHFFFAOYSA-N 0 0 325.165 4.661 50 30 EJEARN COc1ccc(C(=CNc2cccc(Cl)c2C)C(C)=O)cc1OC ZINC000100301534 203992784 /nfs/dbraw/zinc/99/27/84/203992784.db2.gz RQGZFRZZTLETMU-RVDMUPIBSA-N 0 0 345.826 4.708 50 30 EJEARN O=C1C=Cc2ccccc2C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000100946483 204000696 /nfs/dbraw/zinc/00/06/96/204000696.db2.gz WRAIRJSFOXWDPP-WJDWOHSUSA-N 0 0 331.293 4.634 50 30 EJEARN Cc1nn2c(nc(Oc3ccc(C#N)cc3)c3ccccc32)c1Cl ZINC000016737767 211932342 /nfs/dbraw/zinc/93/23/42/211932342.db2.gz TYMPHCVXFIKENZ-UHFFFAOYSA-N 0 0 334.766 4.508 50 30 EJEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1 ZINC000016450864 211905375 /nfs/dbraw/zinc/90/53/75/211905375.db2.gz NKIWWRJRKUNSDM-LVEAOLTQSA-N 0 0 340.835 4.788 50 30 EJEARN CCOc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 ZINC000013686012 211610887 /nfs/dbraw/zinc/61/08/87/211610887.db2.gz LJWZJNNMHKKEJS-OAHLLOKOSA-N 0 0 328.481 4.804 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c(C)c1 ZINC000013645661 211598859 /nfs/dbraw/zinc/59/88/59/211598859.db2.gz JLDTWSOKPGRVKL-ZDLGFXPLSA-N 0 0 347.443 4.676 50 30 EJEARN FC(F)Oc1ccc(NC(=S)NCc2ccccc2)cc1Cl ZINC000013468999 211562200 /nfs/dbraw/zinc/56/22/00/211562200.db2.gz CLBLKMZGYXJFIP-UHFFFAOYSA-N 0 0 342.798 4.839 50 30 EJEARN C=CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(CC)cc1 ZINC000011719005 211240242 /nfs/dbraw/zinc/24/02/42/211240242.db2.gz GKPVVIWUUBFHJP-QHCPKHFHSA-N 0 0 344.458 4.781 50 30 EJEARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(C)cc(C)c1C#N ZINC000010267135 211158620 /nfs/dbraw/zinc/15/86/20/211158620.db2.gz YDBWWOCUFZLDTE-AWEZNQCLSA-N 0 0 349.459 4.723 50 30 EJEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1Cl ZINC000095350853 218284941 /nfs/dbraw/zinc/28/49/41/218284941.db2.gz BMPITWBWQYPBDM-SFHVURJKSA-N 0 0 347.805 4.643 50 30 EJEARN CCn1cc(/C=C2/Oc3c(ccc(OC)c3C)C2=O)c2ccccc21 ZINC000008765260 211002629 /nfs/dbraw/zinc/00/26/29/211002629.db2.gz NEOZQOCZGUPHNJ-YBFXNURJSA-N 0 0 333.387 4.594 50 30 biogenic EJEARN CCc1ccc([C@@H](NC(=O)c2ccc(C#N)cc2)c2cccs2)cc1 ZINC000008062288 210889190 /nfs/dbraw/zinc/88/91/90/210889190.db2.gz QKNBMOVDRVQONP-HXUWFJFHSA-N 0 0 346.455 4.702 50 30 EJEARN COc1ccccc1/C=C/C(=O)c1c(Cl)n(C)c2ccccc21 ZINC000096026276 218516795 /nfs/dbraw/zinc/51/67/95/218516795.db2.gz YKRSRQNAWJHVJO-VAWYXSNFSA-N 0 0 325.795 4.736 50 30 EJEARN C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)cc1)n2CC ZINC000006713588 210689567 /nfs/dbraw/zinc/68/95/67/210689567.db2.gz GZMCEXCDFFAVLG-UHFFFAOYSA-N 0 0 334.419 4.787 50 30 EJEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000006494900 210640438 /nfs/dbraw/zinc/64/04/38/210640438.db2.gz YOWSEONEISQFDR-UHFFFAOYSA-N 0 0 345.836 4.649 50 30 EJEARN N#Cc1nc(CCC2CCCCC2)oc1NCCc1cccs1 ZINC000096346482 218745579 /nfs/dbraw/zinc/74/55/79/218745579.db2.gz KGXKCTULTVLPEU-UHFFFAOYSA-N 0 0 329.469 4.775 50 30 EJEARN Cc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 ZINC000005268026 210430102 /nfs/dbraw/zinc/43/01/02/210430102.db2.gz UDNAZNYQEHBXHE-UHFFFAOYSA-N 0 0 338.476 4.687 50 30 EJEARN COc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1OC ZINC000005211032 210414638 /nfs/dbraw/zinc/41/46/38/210414638.db2.gz DHIUJAWYTITWSU-VQHVLOKHSA-N 0 0 337.202 4.907 50 30 EJEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000005100984 210390479 /nfs/dbraw/zinc/39/04/79/210390479.db2.gz RVUCPIAZTRTXHX-JOCHJYFZSA-N 0 0 346.430 4.604 50 30 EJEARN CC(C)(C)c1cc(/C=N/[C@@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005017902 210363910 /nfs/dbraw/zinc/36/39/10/210363910.db2.gz QBLAJFNGSINFEB-QQZPLFJDSA-N 0 0 333.516 4.813 50 30 EJEARN CC(C)(C)c1cc(CN=Nc2ccccn2)cc(C(C)(C)C)c1O ZINC000004982578 210348744 /nfs/dbraw/zinc/34/87/44/210348744.db2.gz JXDFKFCQTBJZSI-LPYMAVHISA-N 0 0 325.456 4.828 50 30 EJEARN C=CCSC1=N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)S1 ZINC000004845321 210298194 /nfs/dbraw/zinc/29/81/94/210298194.db2.gz IVXAJGZAKUTSDX-FLIBITNWSA-N 0 0 329.368 4.595 50 30 EJEARN C=CCSC1=N/C(=C\c2cccc(OC3CCCC3)c2)C(=O)S1 ZINC000004845060 210297369 /nfs/dbraw/zinc/29/73/69/210297369.db2.gz LMKMCJGHCKNERH-VBKFSLOCSA-N 0 0 345.489 4.898 50 30 EJEARN COc1cc2ccccc2cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000004843130 210295683 /nfs/dbraw/zinc/29/56/83/210295683.db2.gz OJZOUHCHRRNAMF-UHFFFAOYSA-N 0 0 336.416 4.651 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1 ZINC000040139545 257854099 /nfs/dbraw/zinc/85/40/99/257854099.db2.gz WXTYFRZOHZZTGV-VGOFMYFVSA-N 0 0 345.398 4.565 50 30 EJEARN N#Cc1c(Cl)nccc1/C=C/c1cccc(OCC(F)(F)F)c1 ZINC000328593160 258043870 /nfs/dbraw/zinc/04/38/70/258043870.db2.gz LPPGNVXKBJBENK-SNAWJCMRSA-N 0 0 338.716 4.718 50 30 EJEARN C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCC(C#N)CC1 ZINC000408515719 257983230 /nfs/dbraw/zinc/98/32/30/257983230.db2.gz PDUVJWNJGYEKIE-UHFFFAOYSA-N 0 0 339.483 4.990 50 30 EJEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 ZINC000002454086 258016570 /nfs/dbraw/zinc/01/65/70/258016570.db2.gz CRLVZNRGEHPACT-UHFFFAOYSA-N 0 0 346.459 4.604 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1 ZINC000002449428 258016729 /nfs/dbraw/zinc/01/67/29/258016729.db2.gz WJIUZUXOOFVPGT-UHFFFAOYSA-N 0 0 325.412 4.563 50 30 EJEARN Cc1ccccc1-n1c(SCC#N)nnc1-c1ccc(Cl)cc1 ZINC000003352554 258050580 /nfs/dbraw/zinc/05/05/80/258050580.db2.gz YBMPJKXSPMGQRP-UHFFFAOYSA-N 0 0 340.839 4.512 50 30 EJEARN CCCCc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000013497435 258056205 /nfs/dbraw/zinc/05/62/05/258056205.db2.gz HBXJKSNXKQQQEV-UHFFFAOYSA-N 0 0 328.481 4.936 50 30 EJEARN C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346561 258073650 /nfs/dbraw/zinc/07/36/50/258073650.db2.gz QRBQTBMHAOMKGV-ZOPCRJPASA-N 0 0 331.500 4.776 50 30 EJEARN N#Cc1ccc(-c2cnc(CNc3ccc(Cl)cc3F)o2)cc1 ZINC000157255536 224796096 /nfs/dbraw/zinc/79/60/96/224796096.db2.gz JDNRZIKZSDEJMV-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN C#CCn1c2ccccc2nc1SCCOc1ccccc1CC=C ZINC000015833338 518344601 /nfs/dbraw/zinc/34/46/01/518344601.db2.gz IWODFTMSLIDCNR-UHFFFAOYSA-N 0 0 348.471 4.569 50 30 EJEARN c1coc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000004977352 518380378 /nfs/dbraw/zinc/38/03/78/518380378.db2.gz NKIAYMJSGXFKKS-JCMHNJIXSA-N 0 0 340.386 4.850 50 30 EJEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005382186 518467083 /nfs/dbraw/zinc/46/70/83/518467083.db2.gz BFZPRLHEHPRYAF-XDHOZWIPSA-N 0 0 338.392 4.554 50 30 EJEARN C=CCCCCOc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1 ZINC000002049228 518700077 /nfs/dbraw/zinc/70/00/77/518700077.db2.gz QXHTXENLYYRAFQ-UHFFFAOYSA-N 0 0 339.366 4.652 50 30 EJEARN C=CCN(CC=C)C(=O)c1csc(Nc2cccc3ccccc32)n1 ZINC000004688475 518769156 /nfs/dbraw/zinc/76/91/56/518769156.db2.gz JSWSRALAMRKCJM-UHFFFAOYSA-N 0 0 349.459 4.854 50 30 EJEARN C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000003625836 518819434 /nfs/dbraw/zinc/81/94/34/518819434.db2.gz PRBLOGVDXDWHEE-JOCHJYFZSA-N 0 0 348.490 4.869 50 30 EJEARN C=CCSc1ccccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040104103 519078282 /nfs/dbraw/zinc/07/82/82/519078282.db2.gz PKPDGWZWZCYTGZ-GFCCVEGCSA-N 0 0 344.402 4.771 50 30 EJEARN C=CCc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 ZINC000000399640 519133964 /nfs/dbraw/zinc/13/39/64/519133964.db2.gz GRIOJZIWVOXNKF-UHFFFAOYSA-N 0 0 347.798 4.697 50 30 EJEARN C=CCc1ccc(O[C@@H](C)c2nc3cc(F)ccc3[nH]2)c(OC)c1 ZINC000021658887 519141584 /nfs/dbraw/zinc/14/15/84/519141584.db2.gz ROSPLSLCFOQUHS-LBPRGKRZSA-N 0 0 326.371 4.579 50 30 biogenic EJEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C)cc1 ZINC000005500163 519239026 /nfs/dbraw/zinc/23/90/26/519239026.db2.gz AIBBGJJMTONBBB-UHFFFAOYSA-N 0 0 346.459 4.604 50 30 EJEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1cccc(C)c1 ZINC000004356326 519244366 /nfs/dbraw/zinc/24/43/66/519244366.db2.gz MIBNPWJLODOPNA-UHFFFAOYSA-N 0 0 346.459 4.604 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(C)cc1 ZINC000005477968 519245995 /nfs/dbraw/zinc/24/59/95/519245995.db2.gz UDPORIRDWQYTCC-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN CCCCCCCCCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000100720163 519978376 /nfs/dbraw/zinc/97/83/76/519978376.db2.gz GDHBBUPFTLXYKR-UHFFFAOYSA-N 0 0 335.488 4.503 50 30 EJEARN CCCCCCCCC[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000003115087 520031219 /nfs/dbraw/zinc/03/12/19/520031219.db2.gz CXNATEZOVVRARQ-MOPGFXCFSA-N 0 0 342.483 4.949 50 30 biogenic EJEARN CCCCCCCCOCCNC(=O)c1cccc2ccccc21 ZINC000003127116 520041714 /nfs/dbraw/zinc/04/17/14/520041714.db2.gz DWSGALCDZUXENA-UHFFFAOYSA-N 0 0 327.468 4.947 50 30 EJEARN CCCCCCc1ccc(-c2csc(NC(=O)CC#N)n2)cc1 ZINC000003887029 520135828 /nfs/dbraw/zinc/13/58/28/520135828.db2.gz UJOYETBRRMXPGI-UHFFFAOYSA-N 0 0 327.453 4.785 50 30 EJEARN CCOP(=O)(N=C(Nc1ccccc1)Nc1ccccc1)OCC ZINC000001572986 520241721 /nfs/dbraw/zinc/24/17/21/520241721.db2.gz NWIMJXSJACBFJE-UHFFFAOYSA-N 0 0 347.355 4.748 50 30 EJEARN COc1ccc(C(=O)C=CNc2ccc(C(C)C)cc2)cc1OC ZINC000044974981 523535782 /nfs/dbraw/zinc/53/57/82/523535782.db2.gz AQKPLPKSLJBQOL-VAWYXSNFSA-N 0 0 325.408 4.636 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1OC ZINC000007007395 523541275 /nfs/dbraw/zinc/54/12/75/523541275.db2.gz BJOWDZIHLBFCDO-VQHVLOKHSA-N 0 0 336.309 4.619 50 30 EJEARN CCn1nccc1C(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000006490116 523709630 /nfs/dbraw/zinc/70/96/30/523709630.db2.gz VGRJPLQSOJVHTG-VQHVLOKHSA-N 0 0 326.783 4.713 50 30 EJEARN COc1ccc(NC=CC(=O)c2ccc3ccccc3c2)cc1OC ZINC000004706676 524379787 /nfs/dbraw/zinc/37/97/87/524379787.db2.gz RGCPBWYVNWXCKP-QXMHVHEDSA-N 0 0 333.387 4.666 50 30 EJEARN COc1ccc2cc(C(=O)/C=C/c3cccc(OCC#N)c3)ccc2c1 ZINC000058314997 525621333 /nfs/dbraw/zinc/62/13/33/525621333.db2.gz LFDMXBUPCVYELN-BJMVGYQFSA-N 0 0 343.382 4.647 50 30 EJEARN C[C@H](C/N=C\c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000003622743 526196075 /nfs/dbraw/zinc/19/60/75/526196075.db2.gz BIWHCRMFAZGNGA-VZMLSGIISA-N 0 0 329.443 4.678 50 30 EJEARN Oc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000055142161 526370200 /nfs/dbraw/zinc/37/02/00/526370200.db2.gz XVGAAOPDHGXUKG-NVMNQCDNSA-N 0 0 329.812 4.615 50 30 EJEARN Cc1nc(SCC(=O)N[C@@](C)(C#N)C(C)C)n(C2CCCC2)c1C ZINC000023071542 527014557 /nfs/dbraw/zinc/01/45/57/527014557.db2.gz SEBUKRMOSOQPRP-SFHVURJKSA-N 0 0 348.516 4.602 50 30 EJEARN O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000004377887 527592560 /nfs/dbraw/zinc/59/25/60/527592560.db2.gz UJFNFBRQUPJYTA-HKWRFOASSA-N 0 0 330.358 4.975 50 30 EJEARN O=C(C=Cc1ccccc1)Oc1ccccc1C=NNc1ccccc1 ZINC000004416755 527634073 /nfs/dbraw/zinc/63/40/73/527634073.db2.gz DXUIOIRFFVADIJ-DYXVEQEQSA-N 0 0 342.398 4.751 50 30 EJEARN N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001397653 563386748 /nfs/dbraw/zinc/38/67/48/563386748.db2.gz FCYNMFFUNQQEJR-ZDUSSCGKSA-N 0 0 348.627 4.983 50 30 EJEARN O=C(/C=C/Oc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000068451 563214724 /nfs/dbraw/zinc/21/47/24/563214724.db2.gz TXNFJKNFDYOSAE-MDZDMXLPSA-N 0 0 337.600 4.878 50 30 EJEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000000106678 563227984 /nfs/dbraw/zinc/22/79/84/563227984.db2.gz MVPOFTSBDHOBMW-HXUWFJFHSA-N 0 0 336.460 4.994 50 30 EJEARN COc1ccc(Br)cc1/C=C1\CCc2ccccc2C1=O ZINC000000214607 563261852 /nfs/dbraw/zinc/26/18/52/563261852.db2.gz GDAFFAZVTDFCJZ-JLHYYAGUSA-N 0 0 343.220 4.670 50 30 EJEARN COC(=O)c1ccccc1O/C(=N/c1ccc(C)cc1)c1ccccc1 ZINC000000347930 563288357 /nfs/dbraw/zinc/28/83/57/563288357.db2.gz SBAWRMSDJOKDGW-XTQSDGFTSA-N 0 0 345.398 4.939 50 30 EJEARN Cc1cc(O)cc(O)c1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000000354850 563290879 /nfs/dbraw/zinc/29/08/79/563290879.db2.gz GTAAISQGVGTZOT-WSDLNYQXSA-N 0 0 344.370 4.965 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1Br)CC2 ZINC000000480558 563336481 /nfs/dbraw/zinc/33/64/81/563336481.db2.gz IRWODYDMECMAEM-GXDHUFHOSA-N 0 0 343.220 4.670 50 30 EJEARN N#CCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000002650769 563445197 /nfs/dbraw/zinc/44/51/97/563445197.db2.gz CZTPQGAFWSPAST-UHFFFAOYSA-N 0 0 325.437 4.710 50 30 EJEARN C=CCNc1nc2cc(Cl)ccc2c2nnc(-c3ccccc3C)n21 ZINC000034699554 563453620 /nfs/dbraw/zinc/45/36/20/563453620.db2.gz NWUJSYJVXBGEPD-UHFFFAOYSA-N 0 0 349.825 4.504 50 30 EJEARN CCOC(=O)c1c(/N=C/c2ccc(OC)cc2)sc2c1CCCC2 ZINC000003147248 563474784 /nfs/dbraw/zinc/47/47/84/563474784.db2.gz IIHORXXREQSTSV-UDWIEESQSA-N 0 0 343.448 4.563 50 30 EJEARN O=C(O/N=C/c1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000004389764 563502120 /nfs/dbraw/zinc/50/21/20/563502120.db2.gz DLHKNXMKCJQCCL-ODCIPOBUSA-N 0 0 345.679 4.689 50 30 EJEARN COc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O ZINC000005273466 563524864 /nfs/dbraw/zinc/52/48/64/563524864.db2.gz TUWHACHHSHPYTB-HYARGMPZSA-N 0 0 333.387 4.730 50 30 EJEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccncc1 ZINC000005612528 563542940 /nfs/dbraw/zinc/54/29/40/563542940.db2.gz ZLPHYQNITPRJNB-JAIQZWGSSA-N 0 0 328.828 4.695 50 30 EJEARN FC(F)Oc1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000005714731 563547030 /nfs/dbraw/zinc/54/70/30/563547030.db2.gz UOMKDYSFTVPAPP-GIJQJNRQSA-N 0 0 326.140 4.801 50 30 EJEARN CN(C)N=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000008399270 563629291 /nfs/dbraw/zinc/62/92/91/563629291.db2.gz WPBWOGUKPAAFEA-SAQCZPFTSA-N 0 0 340.477 4.759 50 30 EJEARN COc1ccc(CCNC(=S)Nc2cccc3ccccc32)cc1 ZINC000008684785 563635296 /nfs/dbraw/zinc/63/52/96/563635296.db2.gz UVWSIAZAKADSLH-UHFFFAOYSA-N 0 0 336.460 4.789 50 30 EJEARN COc1ccc(OC)c(/C=C2/CCc3c4cc(C)ccc4[nH]c3C2=O)c1 ZINC000013361814 563697098 /nfs/dbraw/zinc/69/70/98/563697098.db2.gz RLNASZRFUCADGV-KAMYIIQDSA-N 0 0 347.414 4.706 50 30 EJEARN C[C@@H](NC(=S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013497628 563700303 /nfs/dbraw/zinc/70/03/03/563700303.db2.gz OMQVHWFEZXQLEN-RRCMXIFQSA-N 0 0 328.525 4.667 50 30 EJEARN C[C@@H]1C[C@H](C)CN(C(=S)Nc2ccc(SC(F)F)cc2)C1 ZINC000013865608 563727283 /nfs/dbraw/zinc/72/72/83/563727283.db2.gz VFQMVPUYWSZTNA-PHIMTYICSA-N 0 0 330.469 4.897 50 30 EJEARN Cc1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C#N)c1C ZINC000004554537 563766806 /nfs/dbraw/zinc/76/68/06/563766806.db2.gz ALYILMCHRNZDPT-UHFFFAOYSA-N 0 0 348.855 4.524 50 30 EJEARN C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OCC)c1O ZINC000015018675 563773562 /nfs/dbraw/zinc/77/35/62/563773562.db2.gz FGCYSXWPYSMLLW-PDGQHHTCSA-N 0 0 338.428 4.849 50 30 EJEARN Oc1ccccc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000017720141 563845451 /nfs/dbraw/zinc/84/54/51/563845451.db2.gz BXNNSVSYOZRPCZ-RLMIWOPVSA-N 0 0 347.458 4.726 50 30 EJEARN CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000018191066 563850641 /nfs/dbraw/zinc/85/06/41/563850641.db2.gz OASMXUOMVXWRQO-CIAFOILYSA-N 0 0 340.448 4.656 50 30 EJEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccnc3)C12 ZINC000018181898 563850708 /nfs/dbraw/zinc/85/07/08/563850708.db2.gz RJQDJLBFYHEVGX-NRFANRHFSA-N 0 0 342.423 4.948 50 30 EJEARN CCc1ccc(CN=Nc2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000027020689 563894448 /nfs/dbraw/zinc/89/44/48/563894448.db2.gz GHMUTFVJSZOJGS-LPYMAVHISA-N 0 0 330.391 4.530 50 30 EJEARN CC(=C\c1ccccc1)/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000032617882 563914170 /nfs/dbraw/zinc/91/41/70/563914170.db2.gz FQQMJEYRHKNNJV-IDWPBITRSA-N 0 0 339.870 4.551 50 30 EJEARN CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl ZINC000072302484 563914225 /nfs/dbraw/zinc/91/42/25/563914225.db2.gz RKXRFNMAVDAXLN-AEFFLSMTSA-N 0 0 325.843 4.688 50 30 EJEARN CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 ZINC000033861415 563916584 /nfs/dbraw/zinc/91/65/84/563916584.db2.gz RPWFJAMTCNSJKK-UHFFFAOYSA-N 0 0 338.444 4.881 50 30 endogenous,in-man EJEARN CCCCSc1nc(-c2ccc(OC)c(OC)c2)ccc1C#N ZINC000033011306 563925078 /nfs/dbraw/zinc/92/50/78/563925078.db2.gz CRIPBEUCJAKXOU-UHFFFAOYSA-N 0 0 328.437 4.530 50 30 EJEARN Cc1ccc(NC(=S)N/N=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000004608567 563930741 /nfs/dbraw/zinc/93/07/41/563930741.db2.gz YLXPINUAQWWTQS-DEDYPNTBSA-N 0 0 335.432 4.576 50 30 EJEARN Cc1sc2nc(-c3cccs3)nc(N[C@@H](C)CC#N)c2c1C ZINC000058330705 563942746 /nfs/dbraw/zinc/94/27/46/563942746.db2.gz BKIXVIVELWKSBY-VIFPVBQESA-N 0 0 328.466 4.751 50 30 EJEARN O=C1c2cc(F)ccc2SC/C1=C/c1csc(-c2ccco2)n1 ZINC000058407020 563945161 /nfs/dbraw/zinc/94/51/61/563945161.db2.gz QVWNHSMXMMBPAX-POHAHGRESA-N 0 0 343.404 4.914 50 30 EJEARN COc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1 ZINC000059270043 563947817 /nfs/dbraw/zinc/94/78/17/563947817.db2.gz DFJWGSAHTKFGHI-BQYQJAHWSA-N 0 0 345.464 4.662 50 30 EJEARN CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000072328188 563966357 /nfs/dbraw/zinc/96/63/57/563966357.db2.gz CCDJEFKOIYSKMF-UDWIEESQSA-N 0 0 331.799 4.753 50 30 EJEARN C=C1N(CCc2c(C)n(C)c3ccccc32)C(=O)OC12CCCCC2 ZINC000000032638 563967790 /nfs/dbraw/zinc/96/77/90/563967790.db2.gz FRBVBWPSZACUSU-UHFFFAOYSA-N 0 0 338.451 4.698 50 30 EJEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc(F)c(F)c1)O[C@H](C)C2 ZINC000097992450 563970420 /nfs/dbraw/zinc/97/04/20/563970420.db2.gz FTJFXCOINJDTEE-SMYYYNMVSA-N 0 0 344.357 4.583 50 30 EJEARN CCCCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O ZINC000098048798 563971758 /nfs/dbraw/zinc/97/17/58/563971758.db2.gz XWIJMPOCKLFRRX-UHFFFAOYSA-N 0 0 329.444 4.756 50 30 EJEARN CSc1ccc(C2=C(c3cccc(F)c3)C(=O)C(C)(C)O2)cc1 ZINC000083291435 563973424 /nfs/dbraw/zinc/97/34/24/563973424.db2.gz OTXGJFNQTZTDPD-UHFFFAOYSA-N 0 0 328.408 4.794 50 30 EJEARN Cc1ccc2[nH]c(=NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000098086926 563974735 /nfs/dbraw/zinc/97/47/35/563974735.db2.gz FBXDLOUSOSNCAN-IUXPMGMMSA-N 0 0 346.799 4.612 50 30 EJEARN O=C1c2ccccc2SC1=CNc1cccc(Br)c1 ZINC000100057779 563982323 /nfs/dbraw/zinc/98/23/23/563982323.db2.gz RFWWNHAULHNCKI-ZROIWOOFSA-N 0 0 332.222 4.691 50 30 EJEARN COc1cc(Br)c(O)c(/C=N/c2ccc(C)c(C)c2)c1 ZINC000100318564 563982533 /nfs/dbraw/zinc/98/25/33/563982533.db2.gz WEWIABSQOBHPSC-GIJQJNRQSA-N 0 0 334.213 4.531 50 30 EJEARN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000014237099 563983644 /nfs/dbraw/zinc/98/36/44/563983644.db2.gz WINSRFVIGICYAD-KRWDZBQOSA-N 0 0 347.443 4.535 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 ZINC000000109685 563986535 /nfs/dbraw/zinc/98/65/35/563986535.db2.gz RTPSHVGPBLTBLA-FQEVSTJZSA-N 0 0 342.398 4.505 50 30 EJEARN Cc1cccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)c1 ZINC000000108148 563986577 /nfs/dbraw/zinc/98/65/77/563986577.db2.gz RIHMMLGULVTPSK-HNNXBMFYSA-N 0 0 333.391 4.607 50 30 EJEARN Cc1ccc2c(ccc3c2[C@@H](c2cccnc2)C2=C(CCCC2=O)N3)n1 ZINC000000140379 563987093 /nfs/dbraw/zinc/98/70/93/563987093.db2.gz OSVIRSVXLXUPGO-HXUWFJFHSA-N 0 0 341.414 4.503 50 30 EJEARN Oc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccccn2)s1 ZINC000000221678 563988834 /nfs/dbraw/zinc/98/88/34/563988834.db2.gz NVJTYBBUJDGOGQ-ZVBGSRNCSA-N 0 0 349.337 4.680 50 30 EJEARN N#Cc1nc(/C=C\c2ccccc2)oc1NCc1ccccc1Cl ZINC000033472707 563992254 /nfs/dbraw/zinc/99/22/54/563992254.db2.gz DFXTVGDDIJIZGV-KHPPLWFESA-N 0 0 335.794 4.982 50 30 EJEARN CCc1c(OC)ccc(/C=C2\Sc3ccccc3C2=O)c1OC ZINC000033680633 563993815 /nfs/dbraw/zinc/99/38/15/563993815.db2.gz RWXZZWYLKBUKRX-BOPFTXTBSA-N 0 0 326.417 4.596 50 30 EJEARN COc1ccc(C=Nc2ccc(NC3=NCC(C)(C)S3)cc2)cc1 ZINC000252430716 563997624 /nfs/dbraw/zinc/99/76/24/563997624.db2.gz GVIFGHURBHCNMK-UHFFFAOYSA-N 0 0 339.464 4.739 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 ZINC000000428107 563998854 /nfs/dbraw/zinc/99/88/54/563998854.db2.gz AAFCZIVLTILZBR-RBBKRZOGSA-N 0 0 348.442 4.623 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(F)cc1 ZINC000000447516 563999674 /nfs/dbraw/zinc/99/96/74/563999674.db2.gz ODWCREBGXCETFM-UHFFFAOYSA-N 0 0 345.373 4.696 50 30 EJEARN CCCCOc1ccc2c(c1)C(=NN)c1cc(OCCCC)ccc1-2 ZINC000005171869 563999887 /nfs/dbraw/zinc/99/98/87/563999887.db2.gz HZFNQUCTBRLNDC-UHFFFAOYSA-N 0 0 338.451 4.736 50 30 EJEARN N#CC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000079064613 564000981 /nfs/dbraw/zinc/00/09/81/564000981.db2.gz LNPBFPWYXGAYIV-CQSZACIVSA-N 0 0 334.206 4.770 50 30 EJEARN C=CCc1ccc(OCc2nc3ccccc3n2CC=C)c(OC)c1 ZINC000005235843 564001418 /nfs/dbraw/zinc/00/14/18/564001418.db2.gz RKBAPRVDVLFCGR-UHFFFAOYSA-N 0 0 334.419 4.538 50 30 EJEARN COc1cccc(-n2c(-c3ccccc3)cnc2S[C@H](C)C#N)c1 ZINC000005263694 564001714 /nfs/dbraw/zinc/00/17/14/564001714.db2.gz FGZHMTLUOPSVDS-CQSZACIVSA-N 0 0 335.432 4.552 50 30 EJEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005320646 564002576 /nfs/dbraw/zinc/00/25/76/564002576.db2.gz IDPHIPBZANKORK-HBKJEHTGSA-N 0 0 349.386 4.823 50 30 EJEARN C=CCn1c(SC(C)C)nc2scc(-c3ccccc3)c2c1=O ZINC000002622885 564003881 /nfs/dbraw/zinc/00/38/81/564003881.db2.gz NDJTUSNANRRTAL-UHFFFAOYSA-N 0 0 342.489 4.812 50 30 EJEARN Oc1ccc(CN=Nc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000005532255 564005099 /nfs/dbraw/zinc/00/50/99/564005099.db2.gz QQSIHEIOCUTBBL-LSHDLFTRSA-N 0 0 346.415 4.510 50 30 EJEARN Cc1cc(C)c(C#N)c(SCc2coc(-c3cccs3)n2)n1 ZINC000005642241 564006880 /nfs/dbraw/zinc/00/68/80/564006880.db2.gz JJVHDTZKJYILDN-UHFFFAOYSA-N 0 0 327.434 4.579 50 30 EJEARN Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272612968 564007446 /nfs/dbraw/zinc/00/74/46/564007446.db2.gz ZPYUCNBLOVZTQX-UHFFFAOYSA-N 0 0 345.512 4.794 50 30 EJEARN CC[C@H](C)S(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N ZINC000000125109 564013339 /nfs/dbraw/zinc/01/33/39/564013339.db2.gz ZNEORAWGNSFKQW-JTQLQIEISA-N 0 0 339.869 4.512 50 30 EJEARN C[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(Cl)c2)S1 ZINC000000497064 564018008 /nfs/dbraw/zinc/01/80/08/564018008.db2.gz OALZAQZDTRGWSJ-PLYKVXEXSA-N 0 0 348.830 4.744 50 30 EJEARN Cc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1C ZINC000018196842 564018699 /nfs/dbraw/zinc/01/86/99/564018699.db2.gz KECZZJRJDIGBEL-NRFANRHFSA-N 0 0 347.414 4.597 50 30 EJEARN COC(=O)c1ccccc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000000502472 564019108 /nfs/dbraw/zinc/01/91/08/564019108.db2.gz RVHYYLMLKNNMCM-WSDLNYQXSA-N 0 0 349.386 4.554 50 30 EJEARN CCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000103008477 564021126 /nfs/dbraw/zinc/02/11/26/564021126.db2.gz RCVOWALFRMVVRI-UHFFFAOYSA-N 0 0 346.515 4.835 50 30 EJEARN C[C@H]1C[C@H](C)CN(c2oc(-c3cccc4ccccc43)nc2C#N)C1 ZINC000000546093 564022722 /nfs/dbraw/zinc/02/27/22/564022722.db2.gz JVYXTMIZQPVKBJ-GJZGRUSLSA-N 0 0 331.419 4.849 50 30 EJEARN N#Cc1c(N)nc2oc3ccccc3c3cc(-c4ccccc4)nc1c32 ZINC000005731519 564024564 /nfs/dbraw/zinc/02/45/64/564024564.db2.gz JGSZSIAPBJSHNB-UHFFFAOYSA-N 0 0 336.354 4.650 50 30 EJEARN O=C1C=C(Nc2ccc3c4c(cccc42)CC3)c2ccccc2C1=O ZINC000105206656 564024933 /nfs/dbraw/zinc/02/49/33/564024933.db2.gz KCMAKHFEVZGHDJ-NMWGTECJSA-N 0 0 325.367 4.697 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000006641306 564033294 /nfs/dbraw/zinc/03/32/94/564033294.db2.gz UBHDINMCHSJEFZ-XBXARRHUSA-N 0 0 337.202 4.907 50 30 EJEARN Cc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 ZINC000001079480 564054349 /nfs/dbraw/zinc/05/43/49/564054349.db2.gz GCELNNYHNLMJAW-SFHVURJKSA-N 0 0 349.405 4.662 50 30 EJEARN C=CCOc1ccc2c(c1)occ(Oc1ccccc1OCC)c2=O ZINC000001922345 564058106 /nfs/dbraw/zinc/05/81/06/564058106.db2.gz OGBRGYJBIJVBTF-UHFFFAOYSA-N 0 0 338.359 4.549 50 30 EJEARN CC1(C)Cc2ccccc2C(Nc2nc(-c3ccccc3)cs2)=N1 ZINC000001307136 564063094 /nfs/dbraw/zinc/06/30/94/564063094.db2.gz FSIBYYOWPARQKB-UHFFFAOYSA-N 0 0 333.460 4.813 50 30 EJEARN CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001383046 564063918 /nfs/dbraw/zinc/06/39/18/564063918.db2.gz UZKPBAWYLXVDLC-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000001390022 564064361 /nfs/dbraw/zinc/06/43/61/564064361.db2.gz PFQVSGPWNPRBFL-DEDYPNTBSA-N 0 0 337.400 4.518 50 30 EJEARN N#Cc1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000001400672 564064962 /nfs/dbraw/zinc/06/49/62/564064962.db2.gz IHAMIEKNTMNJHN-UHFFFAOYSA-N 0 0 339.367 4.579 50 30 EJEARN N#Cc1cc2c(cc1C#N)N(c1ccccc1)C(=O)c1ccccc1O2 ZINC000001432818 564067065 /nfs/dbraw/zinc/06/70/65/564067065.db2.gz OJTUZMUTQZRRSH-UHFFFAOYSA-N 0 0 337.338 4.514 50 30 EJEARN N#Cc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 ZINC000015551541 564068172 /nfs/dbraw/zinc/06/81/72/564068172.db2.gz QWHZIFRAISQGDZ-UHFFFAOYSA-N 0 0 339.398 4.535 50 30 EJEARN C=C(Cl)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000000317394 564074528 /nfs/dbraw/zinc/07/45/28/564074528.db2.gz JJMJMQZJTSMMQT-UHFFFAOYSA-N 0 0 326.779 4.900 50 30 EJEARN C=C(C)COc1ccc2c(c1)occ(Oc1cccc(OC)c1)c2=O ZINC000000387289 564074539 /nfs/dbraw/zinc/07/45/39/564074539.db2.gz KOAUNEKOBFHIHF-UHFFFAOYSA-N 0 0 338.359 4.549 50 30 biogenic EJEARN Cc1ccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)cc1C ZINC000000444784 564074581 /nfs/dbraw/zinc/07/45/81/564074581.db2.gz MOEGDLZPKOPHCP-UHFFFAOYSA-N 0 0 347.458 4.602 50 30 EJEARN C=C(C)Cn1c(SCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002181961 564074822 /nfs/dbraw/zinc/07/48/22/564074822.db2.gz GRWBFWGKRYSTAY-UHFFFAOYSA-N 0 0 348.537 4.805 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cccc(Br)c2)c1 ZINC000002164892 564076082 /nfs/dbraw/zinc/07/60/82/564076082.db2.gz BQGDDFPGRDUXFF-LZYBPNLTSA-N 0 0 339.576 4.761 50 30 EJEARN S=C1N=NC(C2CCCCC2)N1N=CC(Cl)=Cc1ccccc1 ZINC000015979122 564078943 /nfs/dbraw/zinc/07/89/43/564078943.db2.gz URVLMQHGANREAC-RRRJGDELSA-N 0 0 346.887 4.728 50 30 EJEARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2cc3ccccc3cc2O)C1 ZINC000000173950 564081575 /nfs/dbraw/zinc/08/15/75/564081575.db2.gz NBFSKQNISYOHDF-HNNXBMFYSA-N 0 0 334.419 4.564 50 30 EJEARN N#Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000006258325 564083319 /nfs/dbraw/zinc/08/33/19/564083319.db2.gz DKKZAVUJQFFLPM-UHFFFAOYSA-N 0 0 339.807 4.587 50 30 EJEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000191481605 564086377 /nfs/dbraw/zinc/08/63/77/564086377.db2.gz VVPBSAZPLBORDX-MJGOQNOKSA-N 0 0 342.483 4.618 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497335 564089474 /nfs/dbraw/zinc/08/94/74/564089474.db2.gz WYOKDIKHIXWWOC-ATUYINLCSA-N 0 0 328.496 4.826 50 30 biogenic EJEARN CCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064857786 564097092 /nfs/dbraw/zinc/09/70/92/564097092.db2.gz UPSONEVYPXSPEI-KRWDZBQOSA-N 0 0 325.493 4.509 50 30 in-vitro EJEARN N#Cc1cnn2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000006768467 564097425 /nfs/dbraw/zinc/09/74/25/564097425.db2.gz OGMOQNJYKSCVMN-UHFFFAOYSA-N 0 0 339.830 4.599 50 30 EJEARN N#Cc1ccsc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000006949640 564102108 /nfs/dbraw/zinc/10/21/08/564102108.db2.gz ZKUHXEHOUDTIEK-UHFFFAOYSA-N 0 0 343.260 4.657 50 30 EJEARN C=CCn1c(SCc2ccc(F)cc2Cl)nnc1C(C)C ZINC000013326537 564111561 /nfs/dbraw/zinc/11/15/61/564111561.db2.gz VWHIYPZDVVQKHU-UHFFFAOYSA-N 0 0 325.840 4.672 50 30 EJEARN CCCc1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751411 564112007 /nfs/dbraw/zinc/11/20/07/564112007.db2.gz YQXZCCOOLIHALL-CQSZACIVSA-N 0 0 330.472 4.915 50 30 EJEARN C[C@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000090117554 564116272 /nfs/dbraw/zinc/11/62/72/564116272.db2.gz LHLHCIWUUWNFJS-ZDUSSCGKSA-N 0 0 337.423 4.672 50 30 EJEARN O=C(C=CNc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000000475525 564116727 /nfs/dbraw/zinc/11/67/27/564116727.db2.gz CUINQYQJOFMNPS-AATRIKPKSA-N 0 0 336.174 4.531 50 30 EJEARN C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254347127 564118031 /nfs/dbraw/zinc/11/80/31/564118031.db2.gz FRCNDHZJYALSFS-IAQLINMISA-N 0 0 328.496 4.539 50 30 EJEARN N#Cc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1C#N ZINC000000991693 564118251 /nfs/dbraw/zinc/11/82/51/564118251.db2.gz HJHAHWKSAJGSEH-UHFFFAOYSA-N 0 0 332.366 4.707 50 30 EJEARN CC(N=Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(N)cc1 ZINC000252605111 564121244 /nfs/dbraw/zinc/12/12/44/564121244.db2.gz GFQNYJDHLHYJGP-UHFFFAOYSA-N 0 0 348.431 4.975 50 30 EJEARN O=C(CON=Cc1ccccc1)N1c2ccccc2Oc2ccccc21 ZINC000252617525 564122154 /nfs/dbraw/zinc/12/21/54/564122154.db2.gz KUVMEHMOSGVAAH-UHFFFAOYSA-N 0 0 344.370 4.508 50 30 EJEARN Cc1ccc2c(c1)C(=O)/C(=C/c1cc3ccccc3nc1Cl)CO2 ZINC000019926436 564130090 /nfs/dbraw/zinc/13/00/90/564130090.db2.gz JAPDYESDEOQZDE-XNTDXEJSSA-N 0 0 335.790 4.855 50 30 EJEARN Cc1cc(C)c(C#N)c(SCc2ccc(Br)cc2)n1 ZINC000000067631 564132747 /nfs/dbraw/zinc/13/27/47/564132747.db2.gz AULAUTWMVZMYJL-UHFFFAOYSA-N 0 0 333.254 4.625 50 30 EJEARN Cc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)C(=O)c1ccccc1-2 ZINC000000204751 564133000 /nfs/dbraw/zinc/13/30/00/564133000.db2.gz UXAAQMLJVUBYMX-UHFFFAOYSA-N 0 0 330.774 4.794 50 30 EJEARN N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000291704 564133088 /nfs/dbraw/zinc/13/30/88/564133088.db2.gz AYQQGYIYYGFQGA-UHFFFAOYSA-N 0 0 325.824 4.948 50 30 aggregator EJEARN CCOc1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 ZINC000000467331 564133271 /nfs/dbraw/zinc/13/32/71/564133271.db2.gz RXGMFVTWINBUBK-UHFFFAOYSA-N 0 0 333.391 4.533 50 30 EJEARN N#Cc1ccccc1OC(=O)/C=C/c1ccc(-c2ccccc2)s1 ZINC000007814576 564133882 /nfs/dbraw/zinc/13/38/82/564133882.db2.gz JKMDZLDYSVUCDB-ACCUITESSA-N 0 0 331.396 4.906 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)c2c(C)cc3ccccn32)c1 ZINC000013014983 564135885 /nfs/dbraw/zinc/13/58/85/564135885.db2.gz KRISEWJFZBSVIH-UHFFFAOYSA-N 0 0 332.447 4.946 50 30 EJEARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccncc3)c2C#N)c1 ZINC000013328636 564136253 /nfs/dbraw/zinc/13/62/53/564136253.db2.gz GWEGYZCYYOKJLR-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)C(C)C ZINC000328591542 564136726 /nfs/dbraw/zinc/13/67/26/564136726.db2.gz YZZMVEPKZCCJKW-YWZLYKJASA-N 0 0 326.440 4.742 50 30 EJEARN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 ZINC000078754383 564137079 /nfs/dbraw/zinc/13/70/79/564137079.db2.gz WEJIWRKQDOOCKC-CQSZACIVSA-N 0 0 339.464 4.504 50 30 EJEARN COc1ccccc1CN(Cc1cccs1)Cc1ccccc1C#N ZINC000095950791 564142361 /nfs/dbraw/zinc/14/23/61/564142361.db2.gz JOEZRHMHPQXXFK-UHFFFAOYSA-N 0 0 348.471 4.831 50 30 EJEARN N#Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 ZINC000028193573 564150651 /nfs/dbraw/zinc/15/06/51/564150651.db2.gz HTVWJYIRDRMOGP-UHFFFAOYSA-N 0 0 334.400 4.696 50 30 EJEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccoc1C ZINC000002648817 564151861 /nfs/dbraw/zinc/15/18/61/564151861.db2.gz NXZJWDLYMPNMJU-UHFFFAOYSA-N 0 0 345.855 4.978 50 30 EJEARN CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1-c1ccccc1 ZINC000003104585 564155153 /nfs/dbraw/zinc/15/51/53/564155153.db2.gz VTKBDLHBAOQTAO-UHFFFAOYSA-N 0 0 344.370 4.589 50 30 EJEARN N#Cc1c(F)cccc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000058402447 564158974 /nfs/dbraw/zinc/15/89/74/564158974.db2.gz RVGNPQPKWFSHBY-UHFFFAOYSA-N 0 0 337.329 4.636 50 30 EJEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1C ZINC000606422254 564159765 /nfs/dbraw/zinc/15/97/65/564159765.db2.gz HSHOYUOMAHYDAZ-UHFFFAOYSA-N 0 0 331.419 4.898 50 30 EJEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000004170448 564160981 /nfs/dbraw/zinc/16/09/81/564160981.db2.gz AGSRPFOPZFWMCQ-UHFFFAOYSA-N 0 0 332.451 4.610 50 30 EJEARN CC(C)(C)[C@H]1C/C(=C\c2ccccn2)C(=O)/C(=C\c2ccccn2)C1 ZINC000245296596 564169026 /nfs/dbraw/zinc/16/90/26/564169026.db2.gz LSJAFGPDIQTRTL-XDQCFNNNSA-N 0 0 332.447 4.969 50 30 EJEARN C=C(C)CSc1nc2ccccc2c(=O)n1CC1CCCCC1 ZINC000050359762 214053937 /nfs/dbraw/zinc/05/39/37/214053937.db2.gz DAHVICRWWHXEPF-UHFFFAOYSA-N 0 0 328.481 4.645 50 30 EJEARN O=C(C1=C(Nc2ccc(Br)cc2)CCCC1)C(F)(F)F ZINC000004712006 210256575 /nfs/dbraw/zinc/25/65/75/210256575.db2.gz YHTQTEORPHKTIZ-UHFFFAOYSA-N 0 0 348.162 4.821 50 30 EJEARN Cc1sc2ncnc(N=NCc3c(O)ccc4ccccc43)c2c1C ZINC000004680371 210246034 /nfs/dbraw/zinc/24/60/34/210246034.db2.gz ZHLIBGVCPIYWGR-LSFURLLWSA-N 0 0 348.431 4.613 50 30 EJEARN Cc1sc2ncnc(N=NCc3c(F)cccc3Cl)c2c1C ZINC000004680301 210246115 /nfs/dbraw/zinc/24/61/15/210246115.db2.gz HKWBPJRWTSWWBY-CGOBSMCZSA-N 0 0 334.807 4.547 50 30 EJEARN CCCCCCCNC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000097940328 219060419 /nfs/dbraw/zinc/06/04/19/219060419.db2.gz YITPPRYMBPWGFN-UHFFFAOYSA-N 0 0 325.452 4.819 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1ccccc1OC(F)F)C2=O ZINC000097993411 219066448 /nfs/dbraw/zinc/06/64/48/219066448.db2.gz WPSKDXKWJLFGPA-GXDHUFHOSA-N 0 0 330.330 4.509 50 30 EJEARN C[C@H](C#N)CN(C)c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000058542185 214594206 /nfs/dbraw/zinc/59/42/06/214594206.db2.gz SWVQLBMRGKIGKV-CYBMUJFWSA-N 0 0 348.475 4.832 50 30 EJEARN CCCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000004570301 210223664 /nfs/dbraw/zinc/22/36/64/210223664.db2.gz VSLHNUCWRGGOEF-UHFFFAOYSA-N 0 0 328.437 4.668 50 30 EJEARN CCCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000100012920 219088061 /nfs/dbraw/zinc/08/80/61/219088061.db2.gz IATSXGFPGVFXBE-UHFFFAOYSA-N 0 0 326.440 4.870 50 30 EJEARN CSc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000004517626 210211467 /nfs/dbraw/zinc/21/14/67/210211467.db2.gz MDPXPIQCCYOBLT-UHFFFAOYSA-N 0 0 342.489 4.863 50 30 EJEARN CSc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000004517501 210211079 /nfs/dbraw/zinc/21/10/79/210211079.db2.gz NVGQTQXLUSCYRO-NSHDSACASA-N 0 0 342.489 4.719 50 30 EJEARN CCCCCCCCOCCNC(=O)c1ccc(OCCCC)cc1 ZINC000100285244 219096013 /nfs/dbraw/zinc/09/60/13/219096013.db2.gz XKXUODXWOQNSCM-UHFFFAOYSA-N 0 0 349.515 4.972 50 30 EJEARN FC(F)(F)Oc1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 ZINC000100334810 219096931 /nfs/dbraw/zinc/09/69/31/219096931.db2.gz CSMFNJSRPRQEOD-CNHKJKLMSA-N 0 0 345.733 4.698 50 30 EJEARN CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000004499446 210204931 /nfs/dbraw/zinc/20/49/31/210204931.db2.gz FSIGWXQHNOGDFP-JLZFKDTQSA-N 0 0 347.443 4.792 50 30 EJEARN CSc1nsc(C=CNc2cccc(C(F)(F)F)c2)c1C#N ZINC000100381589 219097557 /nfs/dbraw/zinc/09/75/57/219097557.db2.gz XKPGYTCSJYFYLA-AATRIKPKSA-N 0 0 341.383 4.838 50 30 EJEARN O=CN(/C=C1\Sc2ccccc2C1=O)c1cccc2ccccc21 ZINC000100439069 219099456 /nfs/dbraw/zinc/09/94/56/219099456.db2.gz OHHJXQVUYXPASK-UNOMPAQXSA-N 0 0 331.396 4.633 50 30 EJEARN O/N=C\c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000100468464 219099965 /nfs/dbraw/zinc/09/99/65/219099965.db2.gz FAXRZDIWHUIJLR-MPUCSWFWSA-N 0 0 339.704 4.506 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1ccc(Br)cc1)C2=O ZINC000004472578 210196711 /nfs/dbraw/zinc/19/67/11/210196711.db2.gz KDXPBXKMTJKZLE-GXDHUFHOSA-N 0 0 343.220 4.670 50 30 EJEARN COc1ccc(C2=C(Nc3ccccc3)c3ccccc3C2=O)cc1 ZINC000100672513 219104107 /nfs/dbraw/zinc/10/41/07/219104107.db2.gz KPWJINFASVEJHI-UHFFFAOYSA-N 0 0 327.383 4.872 50 30 EJEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000004414239 210188553 /nfs/dbraw/zinc/18/85/53/210188553.db2.gz ZRXGHNUDJGJMAE-CJLVFECKSA-N 0 0 326.355 4.745 50 30 EJEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2C2CC2)cc1 ZINC000004366523 210180484 /nfs/dbraw/zinc/18/04/84/210180484.db2.gz XCPDBBNXYNKEEK-UHFFFAOYSA-N 0 0 346.459 4.617 50 30 EJEARN N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCC2 ZINC000004174163 210139507 /nfs/dbraw/zinc/13/95/07/210139507.db2.gz HMGNHPMJCZTRGL-UHFFFAOYSA-N 0 0 343.260 4.729 50 30 EJEARN N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCC2 ZINC000010372811 201798896 /nfs/dbraw/zinc/79/88/96/201798896.db2.gz MOWHFQWDXVUKQL-UHFFFAOYSA-N 0 0 336.460 4.559 50 30 EJEARN COc1ccc2ccccc2c1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000004116039 210123679 /nfs/dbraw/zinc/12/36/79/210123679.db2.gz NPHXVZAJJRHHNX-GXDHUFHOSA-N 0 0 331.415 4.811 50 30 EJEARN CO/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 ZINC000004003140 210098587 /nfs/dbraw/zinc/09/85/87/210098587.db2.gz GBLMJOZTEFHAMP-VXLYETTFSA-N 0 0 345.855 4.575 50 30 EJEARN Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccccc3)c2C#N)o1 ZINC000003878599 210082211 /nfs/dbraw/zinc/08/22/11/210082211.db2.gz SPMWYGIAJREVKJ-UHFFFAOYSA-N 0 0 348.427 4.805 50 30 EJEARN C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 ZINC000003772580 210074574 /nfs/dbraw/zinc/07/45/74/210074574.db2.gz PBHIXPHIIJAGQA-UHFFFAOYSA-N 0 0 337.806 4.807 50 30 EJEARN CCN(/C=N/c1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC ZINC000102311117 219193503 /nfs/dbraw/zinc/19/35/03/219193503.db2.gz OTNLMBULSKDKJE-HZHRSRAPSA-N 0 0 332.451 4.501 50 30 EJEARN N#Cc1c(NC(=O)c2cc3c(s2)CCCC3)sc2c1CCCC2 ZINC000003393210 210027160 /nfs/dbraw/zinc/02/71/60/210027160.db2.gz KBAIMRGUHGKBAH-UHFFFAOYSA-N 0 0 342.489 4.691 50 30 EJEARN COc1ccc(/C=C/C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000102939674 219242028 /nfs/dbraw/zinc/24/20/28/219242028.db2.gz QITRUDBOPMEGJP-VUPRMNMUSA-N 0 0 333.431 4.589 50 30 EJEARN C=CCSc1nnc(-c2ccc(OCC)cc2)n1-c1ccccc1 ZINC000002860712 209929586 /nfs/dbraw/zinc/92/95/86/209929586.db2.gz ZDVIJPONNMNEJX-UHFFFAOYSA-N 0 0 337.448 4.611 50 30 EJEARN O=[N+]([O-])c1ccc(/N=C(/C#Cc2ccccc2)c2ccccc2)cc1 ZINC000103607503 219317149 /nfs/dbraw/zinc/31/71/49/219317149.db2.gz NCQLOYZDYOQBAX-DQRAZIAOSA-N 0 0 326.355 4.767 50 30 EJEARN COc1cccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000103926660 219329581 /nfs/dbraw/zinc/32/95/81/219329581.db2.gz RLDBTEJJNVKEQL-CJLVFECKSA-N 0 0 342.354 4.843 50 30 EJEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000022342435 202084521 /nfs/dbraw/zinc/08/45/21/202084521.db2.gz OLCJJPNQNVFAOX-MXWIWYRXSA-N 0 0 347.458 4.981 50 30 EJEARN COc1ccc(-n2c3ccccc3nc2-c2cccc(C#N)c2)cc1 ZINC000024992300 202125219 /nfs/dbraw/zinc/12/52/19/202125219.db2.gz SKPHUPWLXNRYET-UHFFFAOYSA-N 0 0 325.371 4.573 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)o1 ZINC000025046515 202126040 /nfs/dbraw/zinc/12/60/40/202126040.db2.gz OGGQMIKOQYZBAT-VMPITWQZSA-N 0 0 325.389 4.520 50 30 EJEARN N#Cc1cccc(COC(=O)c2ccccc2SCc2ccco2)c1 ZINC000037124410 213133125 /nfs/dbraw/zinc/13/31/25/213133125.db2.gz LUGGDPHMCCYRES-UHFFFAOYSA-N 0 0 349.411 4.801 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000033391901 202259355 /nfs/dbraw/zinc/25/93/55/202259355.db2.gz WWPKUGQERABLTG-KLOANMEVSA-N 0 0 346.426 4.562 50 30 EJEARN CN[C@@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O ZINC000034966923 213001952 /nfs/dbraw/zinc/00/19/52/213001952.db2.gz NMIRKZWCHKQRAV-FZWACIFYSA-N 0 0 325.839 4.591 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1C ZINC000000428110 209594286 /nfs/dbraw/zinc/59/42/86/209594286.db2.gz QGVCDIKDCBGORG-UNMCSNQZSA-N 0 0 348.442 4.623 50 30 EJEARN COc1cc(OC)c(/C=N/c2cc(C)cc(C)c2)cc1Br ZINC000000297774 209522878 /nfs/dbraw/zinc/52/28/78/209522878.db2.gz HQAKJUBYFKHDCN-VXLYETTFSA-N 0 0 348.240 4.834 50 30 EJEARN C=C(Br)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000000275792 209514529 /nfs/dbraw/zinc/51/45/29/209514529.db2.gz MVEBLPHBHDGEAX-UHFFFAOYSA-N 0 0 327.225 4.536 50 30 EJEARN CC(=O)Oc1ccc2ccccc2c1/C=N/c1cc([N+](=O)[O-])ccc1C ZINC000000224500 209495018 /nfs/dbraw/zinc/49/50/18/209495018.db2.gz CNXBXJQMNDGTAR-CIAFOILYSA-N 0 0 348.358 4.732 50 30 EJEARN COc1ccc(Br)cc1/C=C1/Sc2ccccc2C1=O ZINC000000208116 209484554 /nfs/dbraw/zinc/48/45/54/209484554.db2.gz BTOQFUWBQRVGDY-OQLLNIDSSA-N 0 0 347.233 4.787 50 30 EJEARN CCc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000000079954 209405441 /nfs/dbraw/zinc/40/54/41/209405441.db2.gz QLPCEXUROOKWDS-UHFFFAOYSA-N 0 0 344.867 4.761 50 30 EJEARN N#Cc1c2c(sc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 ZINC000000059288 209394505 /nfs/dbraw/zinc/39/45/05/209394505.db2.gz JONFXBFPSNAFFO-DJKKODMXSA-N 0 0 345.811 4.811 50 30 EJEARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000000060353 209394113 /nfs/dbraw/zinc/39/41/13/209394113.db2.gz UBSGRYFBBYTKRF-UHFFFAOYSA-N 0 0 344.439 4.904 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1cccnc1)Nc1ccc3ccccc3c12 ZINC000000049964 209390910 /nfs/dbraw/zinc/39/09/10/209390910.db2.gz TYGYPMLJUCPRRL-JOCHJYFZSA-N 0 0 326.399 4.908 50 30 EJEARN COc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O ZINC000000046311 209387719 /nfs/dbraw/zinc/38/77/19/209387719.db2.gz QWOKEBWUPJWONP-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN Cc1ccc(-c2nc(C#N)c(NCCSc3ccccc3)o2)cc1 ZINC000072427521 216219608 /nfs/dbraw/zinc/21/96/08/216219608.db2.gz DZSVZXMWWAPMQZ-UHFFFAOYSA-N 0 0 335.432 4.726 50 30 EJEARN C[C@H]1CCCN(c2oc(Cc3cccc4ccccc43)nc2C#N)C1 ZINC000027742792 212575770 /nfs/dbraw/zinc/57/57/70/212575770.db2.gz AARPVWCSUGZXPR-HNNXBMFYSA-N 0 0 331.419 4.527 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000005824672 201361937 /nfs/dbraw/zinc/36/19/37/201361937.db2.gz XZYPYBJQLXQCLV-FBHDLOMBSA-N 0 0 346.382 4.577 50 30 biogenic EJEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccccc1 ZINC000002103296 201359311 /nfs/dbraw/zinc/35/93/11/201359311.db2.gz PWITVBRFSDZGKB-MOSHPQCFSA-N 0 0 342.350 4.522 50 30 biogenic EJEARN CCn1cc(/C=C2\Oc3c(ccc(OC)c3C)C2=O)c2ccccc21 ZINC000028182712 201388189 /nfs/dbraw/zinc/38/81/89/201388189.db2.gz NEOZQOCZGUPHNJ-ODLFYWEKSA-N 0 0 333.387 4.594 50 30 EJEARN COc1ccc2c(c1)oc1c2c(C#N)c(N)c(C#N)c1-c1cccs1 ZINC000023504978 212380169 /nfs/dbraw/zinc/38/01/69/212380169.db2.gz UQDBFJNUFHHISW-UHFFFAOYSA-N 0 0 345.383 4.649 50 30 EJEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccccc2F)c1-c1ccccc1 ZINC000000494822 201480769 /nfs/dbraw/zinc/48/07/69/201480769.db2.gz CDHBFTGAVWLVEM-WSDLNYQXSA-N 0 0 336.366 4.666 50 30 EJEARN N#Cc1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000225658341 241974983 /nfs/dbraw/zinc/97/49/83/241974983.db2.gz BOICZEFDPGLVRU-GOSISDBHSA-N 0 0 338.838 4.622 50 30 EJEARN CCCOc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1 ZINC000002865643 201549506 /nfs/dbraw/zinc/54/95/06/201549506.db2.gz KLYPHULWLPRPCC-UHFFFAOYSA-N 0 0 347.418 4.657 50 30 EJEARN Cc1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C ZINC000004554538 201605709 /nfs/dbraw/zinc/60/57/09/201605709.db2.gz FTAFJYULRBSDEI-UHFFFAOYSA-N 0 0 336.869 4.621 50 30 EJEARN COc1ccc(/C=C\C(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000004996477 201632534 /nfs/dbraw/zinc/63/25/34/201632534.db2.gz BVFLTHZMFKDRPZ-MRJMLVAMSA-N 0 0 332.321 4.923 50 30 EJEARN COc1ccc(Nc2c(C#N)cnc3c(F)cccc32)cc1Cl ZINC000064472409 202814388 /nfs/dbraw/zinc/81/43/88/202814388.db2.gz RBWXOIIBORICOX-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN Fc1c(F)c(F)c2c(F)c(Br)c(F)c(F)c2c1F ZINC000063148530 202804682 /nfs/dbraw/zinc/80/46/82/202804682.db2.gz PMTDLHCXDWASRN-UHFFFAOYSA-N 0 0 333.000 4.576 50 30 EJEARN N#Cc1c(NC(=O)CCc2ccc(F)cc2)sc2c1CCCCC2 ZINC000020607764 212153435 /nfs/dbraw/zinc/15/34/35/212153435.db2.gz ZVELORXPYZQKPM-UHFFFAOYSA-N 0 0 342.439 4.599 50 30 EJEARN N#Cc1c2c(c(-c3ccccc3)nc1NCc1ccncc1)CCCC2 ZINC000020591555 212150491 /nfs/dbraw/zinc/15/04/91/212150491.db2.gz BQNMGFGKHKYCQP-UHFFFAOYSA-N 0 0 340.430 4.506 50 30 EJEARN COc1ccc(-c2c(C)c(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1 ZINC000020389446 212124418 /nfs/dbraw/zinc/12/44/18/212124418.db2.gz DESZOXQUCDTGAE-UHFFFAOYSA-N 0 0 349.821 4.840 50 30 EJEARN COc1cc(/C=C\C(=O)c2ccccc2C)cc(OC)c1OC(F)F ZINC000096792732 203898080 /nfs/dbraw/zinc/89/80/80/203898080.db2.gz UIEUCBBLDYGEJT-HJWRWDBZSA-N 0 0 348.345 4.510 50 30 EJEARN C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)c1cccc(C(C)=O)c1 ZINC000019146404 212002334 /nfs/dbraw/zinc/00/23/34/212002334.db2.gz FBRJEZGWGFGFGM-PMACEKPBSA-N 0 0 325.452 4.795 50 30 EJEARN C=C[C@@](C)(Cc1cccc2ccccc21)NC(=S)N1CCCCC1 ZINC000000091247 205401744 /nfs/dbraw/zinc/40/17/44/205401744.db2.gz YOCIIUHSMJEKCC-NRFANRHFSA-N 0 0 338.520 4.687 50 30 EJEARN C=C(C)COc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O ZINC000000490577 205468684 /nfs/dbraw/zinc/46/86/84/205468684.db2.gz MBAJMQHJKDRWAB-UHFFFAOYSA-N 0 0 336.387 4.732 50 30 biogenic EJEARN N#CCOc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001915109 205601306 /nfs/dbraw/zinc/60/13/06/205601306.db2.gz TZNHWAJKHQVWAW-UHFFFAOYSA-N 0 0 343.338 4.641 50 30 EJEARN CCc1ccc(-c2c(C)sc(NC(=O)c3cccnc3)c2C#N)cc1 ZINC000013328076 211547547 /nfs/dbraw/zinc/54/75/47/211547547.db2.gz RYRKJCBVLFFDLD-UHFFFAOYSA-N 0 0 347.443 4.805 50 30 EJEARN N#Cc1c(CSc2ncc(-c3ccc(F)cc3)o2)cn2ccccc12 ZINC000010848839 211191527 /nfs/dbraw/zinc/19/15/27/211191527.db2.gz SIHZIURIHSLYOR-UHFFFAOYSA-N 0 0 349.390 4.897 50 30 EJEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 ZINC000009088405 211039474 /nfs/dbraw/zinc/03/94/74/211039474.db2.gz GZBPDTGPLLOQMH-PRWKNARSSA-N 0 0 340.373 4.797 50 30 EJEARN C=CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000009096158 211038954 /nfs/dbraw/zinc/03/89/54/211038954.db2.gz SYJXZNVXSNEKGB-OAHLLOKOSA-N 0 0 327.449 4.679 50 30 EJEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000009089987 211038563 /nfs/dbraw/zinc/03/85/63/211038563.db2.gz VACBGWNEWYEGKL-YEJXKQKISA-N 0 0 334.419 4.527 50 30 EJEARN CCOc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008993157 211027888 /nfs/dbraw/zinc/02/78/88/211027888.db2.gz KOXIGOMIBVZUGO-YBFXNURJSA-N 0 0 333.387 4.502 50 30 EJEARN CCCCOc1ccc(-c2ncnc3c(C#N)c4ccccn4c32)cc1 ZINC000008844866 211011301 /nfs/dbraw/zinc/01/13/01/211011301.db2.gz NZXFMHLNGWBFFA-UHFFFAOYSA-N 0 0 342.402 4.600 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008765382 211002766 /nfs/dbraw/zinc/00/27/66/211002766.db2.gz ANEJKYXPANLLKX-UFFVCSGVSA-N 0 0 345.398 4.749 50 30 biogenic EJEARN CN(Cc1ccco1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000007718401 210837606 /nfs/dbraw/zinc/83/76/06/210837606.db2.gz PZBRKPSCIMGMER-UHFFFAOYSA-N 0 0 348.427 4.575 50 30 EJEARN C=CCN(C(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000006784611 210710481 /nfs/dbraw/zinc/71/04/81/210710481.db2.gz SGLJUJFBHOMCAN-UHFFFAOYSA-N 0 0 334.391 4.677 50 30 EJEARN C=CCOc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000006312967 210615286 /nfs/dbraw/zinc/61/52/86/210615286.db2.gz RIZQRGZVHGIONL-RMKNXTFCSA-N 0 0 332.359 4.878 50 30 EJEARN N#Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000006306217 210613656 /nfs/dbraw/zinc/61/36/56/210613656.db2.gz MJGARCBAMJSXDH-UHFFFAOYSA-N 0 0 340.426 4.510 50 30 EJEARN C=CCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 ZINC000005324242 210439706 /nfs/dbraw/zinc/43/97/06/210439706.db2.gz XTEOZFXSTKCGRB-UHFFFAOYSA-N 0 0 326.465 4.581 50 30 EJEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005176423 210406203 /nfs/dbraw/zinc/40/62/03/210406203.db2.gz VKAZUUYDQXVMMI-MTJSOVHGSA-N 0 0 343.382 4.585 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C#N)cc1 ZINC000005092327 210388687 /nfs/dbraw/zinc/38/86/87/210388687.db2.gz GDJNWOFQCKBPMI-NRFANRHFSA-N 0 0 343.430 4.780 50 30 EJEARN Cc1nc(SCc2nc3ccccc3s2)c(C#N)c(C)c1C ZINC000005089147 210387031 /nfs/dbraw/zinc/38/70/31/210387031.db2.gz OTFJLEZUODKGDX-UHFFFAOYSA-N 0 0 325.462 4.781 50 30 EJEARN N#Cc1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000005054895 210377579 /nfs/dbraw/zinc/37/75/79/210377579.db2.gz XJAQICTVFCDOES-UHFFFAOYSA-N 0 0 340.492 4.653 50 30 EJEARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1cc(F)ccc1F ZINC000097152283 218975068 /nfs/dbraw/zinc/97/50/68/218975068.db2.gz OFPOOPAIEOQXBO-GSPAGQKZSA-N 0 0 341.313 4.703 50 30 EJEARN COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C#N)sc2c1 ZINC000000038635 208554797 /nfs/dbraw/zinc/55/47/97/208554797.db2.gz ZSKYHUNCPQETSY-UHFFFAOYSA-N 0 0 342.807 4.687 50 30 EJEARN COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000004833605 210292609 /nfs/dbraw/zinc/29/26/09/210292609.db2.gz ZCAOTOIZNOXLNO-UDWIEESQSA-N 0 0 325.799 4.593 50 30 EJEARN CN(C(=O)/C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004805508 210281091 /nfs/dbraw/zinc/28/10/91/210281091.db2.gz LXNLCUMJRIJWKA-FXBPSFAMSA-N 0 0 341.410 4.616 50 30 EJEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ccc3ncccc31)N2 ZINC000004758800 210271760 /nfs/dbraw/zinc/27/17/60/210271760.db2.gz HSVZGZCFJZRECJ-HXUWFJFHSA-N 0 0 326.399 4.799 50 30 EJEARN COc1cccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c1 ZINC000012862891 258001884 /nfs/dbraw/zinc/00/18/84/258001884.db2.gz NJTJKPVGLHWUBC-NDENLUEZSA-N 0 0 336.387 4.656 50 30 biogenic EJEARN CC1(C)CC(=O)C=C(SCC(=O)c2ccc(Cl)cc2)S1 ZINC000000126118 258047160 /nfs/dbraw/zinc/04/71/60/258047160.db2.gz YFZJKEVJQBJRDG-UHFFFAOYSA-N 0 0 326.870 4.582 50 30 EJEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000002450059 258016836 /nfs/dbraw/zinc/01/68/36/258016836.db2.gz CXEOVPWCKKZGCP-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000008772327 258018080 /nfs/dbraw/zinc/01/80/80/258018080.db2.gz YKYOCWLQHXNINE-JXMROGBWSA-N 0 0 342.851 4.501 50 30 EJEARN Cc1ccc(C(=O)O/N=C/C2=C(Cl)c3ccccc3CC2)cc1 ZINC000004091914 258050857 /nfs/dbraw/zinc/05/08/57/258050857.db2.gz GFCVKSYILXHGEA-CIAFOILYSA-N 0 0 325.795 4.734 50 30 EJEARN Cc1ccccc1Nc1nnc(SCc2ccccc2C#N)s1 ZINC000006790786 258052201 /nfs/dbraw/zinc/05/22/01/258052201.db2.gz SYNHNDUSHDZUBA-UHFFFAOYSA-N 0 0 338.461 4.754 50 30 EJEARN COc1ccc(OCCOc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000012616937 258055195 /nfs/dbraw/zinc/05/51/95/258055195.db2.gz UMODXWJFSYSBNG-UHFFFAOYSA-N 0 0 345.398 4.692 50 30 EJEARN O/N=C(\CCCCC/C(=N/O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013764168 258056332 /nfs/dbraw/zinc/05/63/32/258056332.db2.gz BPTXERYOMRDLST-URMAKSPSSA-N 0 0 346.377 4.972 50 30 EJEARN N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCCCC2)cc1C#N ZINC000000556264 135652467 /nfs/dbraw/zinc/65/24/67/135652467.db2.gz GYGXICJUQMUULY-UHFFFAOYSA-N 0 0 337.810 4.866 50 30 EJEARN CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000012768356 262522170 /nfs/dbraw/zinc/52/21/70/262522170.db2.gz GRLLLTVRGLYUKI-ACCUITESSA-N 0 0 340.419 4.561 50 30 EJEARN CCCCCCCCCNC(=O)c1ccc(Br)cc1 ZINC000003157374 520026846 /nfs/dbraw/zinc/02/68/46/520026846.db2.gz FCLVABMXEFSLFK-UHFFFAOYSA-N 0 0 326.278 4.930 50 30 EJEARN O=C1c2ccccc2C/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006628081 518202577 /nfs/dbraw/zinc/20/25/77/518202577.db2.gz NYKYGJUFWNLLKR-NTCAYCPXSA-N 0 0 331.327 4.677 50 30 EJEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccnc1 ZINC000043761254 518466885 /nfs/dbraw/zinc/46/68/85/518466885.db2.gz HHOXTTJMLUCQLP-RGVLZGJSSA-N 0 0 328.828 4.695 50 30 EJEARN C=CCc1ccc(OC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000004800871 519134510 /nfs/dbraw/zinc/13/45/10/519134510.db2.gz KMGRUGCXIINKQB-UHFFFAOYSA-N 0 0 331.799 4.996 50 30 EJEARN C=CCc1ccc(OCc2nc3cc(Cl)ccc3[nH]2)c(OC)c1 ZINC000016903963 519140497 /nfs/dbraw/zinc/14/04/97/519140497.db2.gz AHYYYWSAVFWXMG-UHFFFAOYSA-N 0 0 328.799 4.532 50 30 biogenic EJEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1F ZINC000004345985 519240259 /nfs/dbraw/zinc/24/02/59/519240259.db2.gz SJNSTNXYOLFPMF-UHFFFAOYSA-N 0 0 343.402 4.702 50 30 EJEARN CC(C)CCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006537186 519673011 /nfs/dbraw/zinc/67/30/11/519673011.db2.gz IHSWPHQRUPTUGY-LFYBBSHMSA-N 0 0 339.391 4.916 50 30 EJEARN CC(C)Oc1ccc(/C=N/CC2(c3ccccc3)CCOCC2)cc1 ZINC000000209044 519778219 /nfs/dbraw/zinc/77/82/19/519778219.db2.gz BQQRMHWZERFUFQ-XQNSMLJCSA-N 0 0 337.463 4.641 50 30 EJEARN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(OC)cc2)cc1OC ZINC000096766625 520593072 /nfs/dbraw/zinc/59/30/72/520593072.db2.gz RIEMJZSPVZFYHY-YHYXMXQVSA-N 0 0 346.810 4.652 50 30 EJEARN CNc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc2ccccc2c1 ZINC000006136068 522575977 /nfs/dbraw/zinc/57/59/77/522575977.db2.gz QCUXBVWCBUKQHD-KHPPLWFESA-N 0 0 347.374 4.598 50 30 EJEARN CN(CCC#N)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 ZINC000012420986 522674859 /nfs/dbraw/zinc/67/48/59/522674859.db2.gz KVRTVZBIOQJEKP-VMPITWQZSA-N 0 0 330.840 4.647 50 30 EJEARN COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000033683898 523431820 /nfs/dbraw/zinc/43/18/20/523431820.db2.gz HRSZPSHGRCENCN-YVMONPNESA-N 0 0 337.202 4.907 50 30 EJEARN COc1ccccc1-c1cc(N=C(NC2CCCCC2)SC)[nH]n1 ZINC000020440215 524269734 /nfs/dbraw/zinc/26/97/34/524269734.db2.gz CBNFWFZBAAMJAS-UHFFFAOYSA-N 0 0 344.484 4.549 50 30 EJEARN Cc1cccc(Cl)c1NC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000328594355 524479600 /nfs/dbraw/zinc/47/96/00/524479600.db2.gz FJXGBDFLORHGHM-UHFFFAOYSA-N 0 0 343.858 4.544 50 30 EJEARN Cc1cccc(NN=C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000033739230 524530146 /nfs/dbraw/zinc/53/01/46/524530146.db2.gz XITGAKGGRXGMFG-HAVVHWLPSA-N 0 0 332.432 4.767 50 30 EJEARN COc1ccccc1N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000000479571 524647413 /nfs/dbraw/zinc/64/74/13/524647413.db2.gz YPHQTERQIMBMOV-OAQYLSRUSA-N 0 0 344.414 4.951 50 30 EJEARN COc1ccc2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc2c1 ZINC000006581256 525620839 /nfs/dbraw/zinc/62/08/39/525620839.db2.gz NAJDBZARIDQMRZ-BJMVGYQFSA-N 0 0 348.398 4.762 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)s1 ZINC000025198805 526014496 /nfs/dbraw/zinc/01/44/96/526014496.db2.gz QNSUBNVWHACDSL-ZHACJKMWSA-N 0 0 335.428 4.927 50 30 EJEARN Fc1cccc(CO/N=C/c2cccnc2Sc2ccccc2)c1 ZINC000005485966 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N#CCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000001425959 563388509 /nfs/dbraw/zinc/38/85/09/563388509.db2.gz LEOJPMADBJBVDA-UHFFFAOYSA-N 0 0 340.426 4.790 50 30 EJEARN CC(=O)Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000001799255 563412879 /nfs/dbraw/zinc/41/28/79/563412879.db2.gz HJBFPMXOCPUEJX-UHFFFAOYSA-N 0 0 335.244 4.528 50 30 EJEARN Cc1ccc(NC(=O)ON=C(c2ccccc2)c2ccccc2)cc1 ZINC000002902749 563462803 /nfs/dbraw/zinc/46/28/03/563462803.db2.gz DNOAMKUWBZJBKP-UHFFFAOYSA-N 0 0 330.387 4.996 50 30 EJEARN C[C@]12CC[C@@H]3c4ccc(OCCCC#N)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004369950 563501801 /nfs/dbraw/zinc/50/18/01/563501801.db2.gz LFBNAHBTJGQSAO-AQCRLBJHSA-N 0 0 337.463 4.794 50 30 EJEARN CCSC1=N/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)S1 ZINC000004755209 563510479 /nfs/dbraw/zinc/51/04/79/563510479.db2.gz PUBWGRDAPQKIDR-LCYFTJDESA-N 0 0 333.409 4.809 50 30 EJEARN C=CCSC1=N/C(=C\c2cccc(Cl)c2Cl)C(=O)S1 ZINC000004845502 563513516 /nfs/dbraw/zinc/51/35/16/563513516.db2.gz YZDXWCIJYNGGKY-YFHOEESVSA-N 0 0 330.261 4.883 50 30 EJEARN Cc1ccc2c(c1)N[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005218501 563523247 /nfs/dbraw/zinc/52/32/47/563523247.db2.gz ADXGKBPDKFJOLL-HXUWFJFHSA-N 0 0 333.435 4.612 50 30 EJEARN O=C1C=C(Nc2ccccc2Br)C[C@H](c2ccccc2)C1 ZINC000005279818 563525213 /nfs/dbraw/zinc/52/52/13/563525213.db2.gz LVOKDOZCATUOJX-AWEZNQCLSA-N 0 0 342.236 4.892 50 30 EJEARN COc1cccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000005288073 563525235 /nfs/dbraw/zinc/52/52/35/563525235.db2.gz QSCPTBWUQDAZGL-DNTJNYDQSA-N 0 0 329.705 4.824 50 30 EJEARN CCO/N=C1\CC(C)(C)Cc2nnc(-c3ccc(Cl)c(C)c3)cc21 ZINC000005315113 563526377 /nfs/dbraw/zinc/52/63/77/563526377.db2.gz DDXLNCAWMHIIRB-PTGBLXJZSA-N 0 0 343.858 4.818 50 30 EJEARN C=CC[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccncc1 ZINC000071909249 563572718 /nfs/dbraw/zinc/57/27/18/563572718.db2.gz NCCNMNLFSDIGGL-MRXNPFEDSA-N 0 0 348.406 4.539 50 30 EJEARN Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000006827642 563588298 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ZINC000016195680 563805648 /nfs/dbraw/zinc/80/56/48/563805648.db2.gz QRTXYVLSSIMLJQ-SRZZPIQSSA-N 0 0 341.794 4.889 50 30 EJEARN C=CCN(C(=O)c1ccc(CSC)cc1)[C@@H]1CCc2ccccc21 ZINC000032915473 563813254 /nfs/dbraw/zinc/81/32/54/563813254.db2.gz OOTDUXVMFAVOMT-HXUWFJFHSA-N 0 0 337.488 4.865 50 30 EJEARN C=CCN(C(=O)c1ccc(CSC)cc1)[C@H]1CCc2ccccc21 ZINC000032915474 563813273 /nfs/dbraw/zinc/81/32/73/563813273.db2.gz OOTDUXVMFAVOMT-FQEVSTJZSA-N 0 0 337.488 4.865 50 30 EJEARN CC(C)c1ccc(SCC(=O)NC2(C#N)CCCCCC2)cc1 ZINC000027685790 563898873 /nfs/dbraw/zinc/89/88/73/563898873.db2.gz XLRPIGCSOCESNL-UHFFFAOYSA-N 0 0 330.497 4.635 50 30 EJEARN CO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000034240869 563916767 /nfs/dbraw/zinc/91/67/67/563916767.db2.gz ICICCNLECZQTRT-QSGGGSIRSA-N 0 0 343.430 4.743 50 30 EJEARN COc1cc2c(c(/C=C/C(=O)c3cc4ccccc4o3)c1)O[C@H](C)C2 ZINC000058308675 563942207 /nfs/dbraw/zinc/94/22/07/563942207.db2.gz YPBDJPABXLSYNC-SBDDDAINSA-N 0 0 334.371 4.661 50 30 EJEARN CCCCCCCCCCc1nn2c(nc3ccccc3c2=O)s1 ZINC000097941867 563951608 /nfs/dbraw/zinc/95/16/08/563951608.db2.gz KGDFMZKRSJGYHB-UHFFFAOYSA-N 0 0 343.496 4.987 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(C)c1 ZINC000097104984 563967625 /nfs/dbraw/zinc/96/76/25/563967625.db2.gz FBTRBADUTASPPS-UNMCSNQZSA-N 0 0 348.442 4.623 50 30 EJEARN Cc1ccc(C(=O)/C=C/C(Cl)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000098009179 563971084 /nfs/dbraw/zinc/97/10/84/563971084.db2.gz UBQZKVXFGLBCSM-AKYRVGECSA-N 0 0 327.767 4.922 50 30 EJEARN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC ZINC000000066936 563971767 /nfs/dbraw/zinc/97/17/67/563971767.db2.gz TXCHRCYRLITQHS-KIHMUJGBSA-N 0 0 340.448 4.512 50 30 EJEARN C=C[C@](C)(Cc1cccc2ccccc21)NC(=S)N1CCCCC1 ZINC000000091252 563976572 /nfs/dbraw/zinc/97/65/72/563976572.db2.gz YOCIIUHSMJEKCC-OAQYLSRUSA-N 0 0 338.520 4.687 50 30 EJEARN N#CC(c1cccc(C(F)(F)F)c1)=C1NC=CC[C@H]1C(F)(F)F ZINC000095921859 563977780 /nfs/dbraw/zinc/97/77/80/563977780.db2.gz 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/nfs/dbraw/zinc/98/90/60/563989060.db2.gz DIVKHQNRYNBWHV-RGVLZGJSSA-N 0 0 343.448 4.726 50 30 EJEARN Cc1ccc(O)c(/C=N\c2ccc(Br)c3cccnc23)c1 ZINC000000243254 563989186 /nfs/dbraw/zinc/98/91/86/563989186.db2.gz AHKSPTSPINBUMP-JMIUGGIZSA-N 0 0 341.208 4.762 50 30 EJEARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\Cc2ccccc2C1=O ZINC000000247996 563989403 /nfs/dbraw/zinc/98/94/03/563989403.db2.gz JDJSUDPLHNWLPM-NBVRZTHBSA-N 0 0 342.442 4.893 50 30 EJEARN N#Cc1cc2c(nc1SCc1ccc(Cl)nc1)CCCCC2 ZINC000000377642 563991891 /nfs/dbraw/zinc/99/18/91/563991891.db2.gz BIBYFDRCNOOEIM-UHFFFAOYSA-N 0 0 329.856 4.563 50 30 EJEARN CCOc1ccc(Nc2oc(/C=C/c3ccccc3)nc2C#N)cc1 ZINC000005027919 563993826 /nfs/dbraw/zinc/99/38/26/563993826.db2.gz CVINMBLXTDLOAA-MDWZMJQESA-N 0 0 331.375 4.859 50 30 EJEARN CCc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005054820 563994082 /nfs/dbraw/zinc/99/40/82/563994082.db2.gz UIGQPNLSCVMEKY-SSDVNMTOSA-N 0 0 336.464 4.579 50 30 EJEARN Brc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC000002556286 563999953 /nfs/dbraw/zinc/99/99/53/563999953.db2.gz FJQGIJIHOXZMMJ-UHFFFAOYSA-N 0 0 336.026 4.611 50 30 EJEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1ccco1 ZINC000005186050 564000155 /nfs/dbraw/zinc/00/01/55/564000155.db2.gz ISXGCUCGPIWXAT-ODLFYWEKSA-N 0 0 336.318 4.614 50 30 EJEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(Cl)c1Cl ZINC000005557009 564005395 /nfs/dbraw/zinc/00/53/95/564005395.db2.gz VTWYHRKKVGPOEJ-LCYFTJDESA-N 0 0 349.242 4.885 50 30 EJEARN Cc1cccc(/N=C/c2cc(Br)c3ccccc3c2O)n1 ZINC000000499401 564018412 /nfs/dbraw/zinc/01/84/12/564018412.db2.gz WTAZTNKDUQMKRA-VXLYETTFSA-N 0 0 341.208 4.762 50 30 EJEARN COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 ZINC000018197224 564018709 /nfs/dbraw/zinc/01/87/09/564018709.db2.gz YECQCNQCUPDLTI-OAQYLSRUSA-N 0 0 349.430 4.577 50 30 EJEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Cl)ccc1O ZINC000000501621 564019065 /nfs/dbraw/zinc/01/90/65/564019065.db2.gz QMLNLDGXBJEORS-QGMBQPNBSA-N 0 0 337.828 4.651 50 30 EJEARN N#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N ZINC000000509735 564019895 /nfs/dbraw/zinc/01/98/95/564019895.db2.gz BLJNBHJAIHCKEO-UHFFFAOYSA-N 0 0 332.366 4.707 50 30 EJEARN C=CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000102685415 564020463 /nfs/dbraw/zinc/02/04/63/564020463.db2.gz XBRKGSLFKFPCSA-PFONDFGASA-N 0 0 344.414 4.621 50 30 EJEARN CCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000102934075 564020957 /nfs/dbraw/zinc/02/09/57/564020957.db2.gz AIGJYWVRCWMMAK-UHFFFAOYSA-N 0 0 344.377 4.963 50 30 EJEARN Cn1c2ccccc2n(/N=C/c2ccc(-c3ccccc3)o2)c1=S ZINC000000529814 564021399 /nfs/dbraw/zinc/02/13/99/564021399.db2.gz FRILLSYCARACBG-DEDYPNTBSA-N 0 0 333.416 4.851 50 30 EJEARN Cc1ncsc1C(=O)/C=C/c1ccccc1OCc1ccccc1 ZINC000046882339 564025447 /nfs/dbraw/zinc/02/54/47/564025447.db2.gz HMAYSGXTVFFARW-VAWYXSNFSA-N 0 0 335.428 4.927 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2cc(F)ccc2F)cc1 ZINC000044843106 564027398 /nfs/dbraw/zinc/02/73/98/564027398.db2.gz YBLNATVOAVYBJI-ZHACJKMWSA-N 0 0 331.362 4.952 50 30 EJEARN C[C@@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1F ZINC000109002093 564028617 /nfs/dbraw/zinc/02/86/17/564028617.db2.gz VTVMGZXELLYGGD-ZDUSSCGKSA-N 0 0 325.412 4.704 50 30 EJEARN O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1cccnc1 ZINC000032853591 564036225 /nfs/dbraw/zinc/03/62/25/564036225.db2.gz BJCSIMBXKTVUDO-FMIVXFBMSA-N 0 0 333.362 4.696 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1C ZINC000225508666 564047408 /nfs/dbraw/zinc/04/74/08/564047408.db2.gz GOXFOZHETZOCLE-UNMCSNQZSA-N 0 0 348.442 4.623 50 30 EJEARN Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 ZINC000001079477 564054296 /nfs/dbraw/zinc/05/42/96/564054296.db2.gz GCELNNYHNLMJAW-GOSISDBHSA-N 0 0 349.405 4.662 50 30 EJEARN CC(=O)C1=CC[C@@H]2[C@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257357676 564055965 /nfs/dbraw/zinc/05/59/65/564055965.db2.gz PIPYBRMLUCOTFE-GKRVOVRLSA-N 0 0 328.496 4.826 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257358534 564055967 /nfs/dbraw/zinc/05/59/67/564055967.db2.gz UZROOFLUFHWOJQ-OQINTAEXSA-N 0 0 332.459 4.672 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257359314 564055992 /nfs/dbraw/zinc/05/59/92/564055992.db2.gz ZNWOYQVXPIEQRC-OIZKZSSLSA-N 0 0 330.512 4.763 50 30 EJEARN N#Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl ZINC000005937897 564057137 /nfs/dbraw/zinc/05/71/37/564057137.db2.gz GOQKAJUKWVXKIO-UHFFFAOYSA-N 0 0 346.817 4.982 50 30 EJEARN N#CCSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000044087457 564059533 /nfs/dbraw/zinc/05/95/33/564059533.db2.gz QANZVWDHNQHODJ-UHFFFAOYSA-N 0 0 325.824 4.808 50 30 EJEARN C/C(=N/OC(=O)c1cccs1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000044790625 564060372 /nfs/dbraw/zinc/06/03/72/564060372.db2.gz OXPGFKCHJNFNNB-BKUYFWCQSA-N 0 0 333.412 4.900 50 30 EJEARN C[C@@H]1CCc2sc(NC(=O)c3cccc(Cl)c3)c(C#N)c2C1 ZINC000004070058 564061771 /nfs/dbraw/zinc/06/17/71/564061771.db2.gz BMKWBMVESSTOTE-SNVBAGLBSA-N 0 0 330.840 4.650 50 30 EJEARN CCO[C@@H](c1c(C)oc2cc(C#N)c(C#N)cc21)c1ccc(C)cc1 ZINC000078547665 564062081 /nfs/dbraw/zinc/06/20/81/564062081.db2.gz XUQOEZRPQRNYAR-OAQYLSRUSA-N 0 0 330.387 4.919 50 30 EJEARN C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(-c2ccccc2)cs1 ZINC000083812544 564063495 /nfs/dbraw/zinc/06/34/95/564063495.db2.gz DRMRVDQJNFGLCH-HXUWFJFHSA-N 0 0 344.439 4.615 50 30 EJEARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C ZINC000084671118 564069576 /nfs/dbraw/zinc/06/95/76/564069576.db2.gz LTWQZVNMZDTDFL-RTWAWAEBSA-N 0 0 344.458 4.658 50 30 EJEARN C#CCOc1ccc([C@@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc1 ZINC000015018059 564074215 /nfs/dbraw/zinc/07/42/15/564074215.db2.gz CMVKRFFLYOFETG-NYVOZVTQSA-N 0 0 333.431 4.505 50 30 EJEARN O=C(Nc1cncc(C#Cc2ccccc2)c1)Nc1ccccc1Cl ZINC000000170502 564074513 /nfs/dbraw/zinc/07/45/13/564074513.db2.gz YHRSNZIXFBTVLI-UHFFFAOYSA-N 0 0 347.805 4.779 50 30 EJEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCC(C)C ZINC000000544687 564074593 /nfs/dbraw/zinc/07/45/93/564074593.db2.gz NWBVLSJAXCYWNT-UHFFFAOYSA-N 0 0 332.451 4.854 50 30 EJEARN C=C(Cl)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000858859 564074631 /nfs/dbraw/zinc/07/46/31/564074631.db2.gz GLZDXVKIIFLBPX-UHFFFAOYSA-N 0 0 326.779 4.900 50 30 EJEARN N#C[C@H]1CCC[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)C1 ZINC000185744262 564074768 /nfs/dbraw/zinc/07/47/68/564074768.db2.gz JNYNDRYXMJXKTR-QFBILLFUSA-N 0 0 340.471 4.589 50 30 EJEARN N#C[C@@H]1CCC[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)C1 ZINC000185744302 564074773 /nfs/dbraw/zinc/07/47/73/564074773.db2.gz JNYNDRYXMJXKTR-VQIMIIECSA-N 0 0 340.471 4.589 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000002143369 564076031 /nfs/dbraw/zinc/07/60/31/564076031.db2.gz IYQOQXSADMTHOA-VXLYETTFSA-N 0 0 326.739 4.858 50 30 EJEARN O=[N+]([O-])c1cc(/N=C/c2c(O)ccc3ccccc32)ccc1Cl ZINC000002143393 564076034 /nfs/dbraw/zinc/07/60/34/564076034.db2.gz FGFHERPSWDBIPZ-VXLYETTFSA-N 0 0 326.739 4.858 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345619 564076564 /nfs/dbraw/zinc/07/65/64/564076564.db2.gz CRCLPPBJMHAOFC-WKJIWXIGSA-N 0 0 330.512 4.905 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345621 564076569 /nfs/dbraw/zinc/07/65/69/564076569.db2.gz CRCLPPBJMHAOFC-YUINZIOUSA-N 0 0 330.512 4.905 50 30 EJEARN Cc1cccc(CCNc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000006187992 564080328 /nfs/dbraw/zinc/08/03/28/564080328.db2.gz GLEJRPMYLVGYAS-UHFFFAOYSA-N 0 0 340.430 4.631 50 30 EJEARN O=C(/C(=C/c1ccncc1)c1nc2ccccc2o1)c1ccccc1 ZINC000006269528 564083414 /nfs/dbraw/zinc/08/34/14/564083414.db2.gz IOVKXBOFSCCQPV-VKAVYKQESA-N 0 0 326.355 4.646 50 30 EJEARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc(F)cc1 ZINC000040139536 564085915 /nfs/dbraw/zinc/08/59/15/564085915.db2.gz XXVMYMJOWRAFII-AWNIVKPZSA-N 0 0 333.362 4.696 50 30 EJEARN C=C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000039423332 564087084 /nfs/dbraw/zinc/08/70/84/564087084.db2.gz BXJGLPROAVAGKO-QFIPXVFZSA-N 0 0 330.427 4.542 50 30 EJEARN CC(C)(C)C(=O)C=CNc1ccc([N+](=O)[O-])cc1Br ZINC000252602969 564089422 /nfs/dbraw/zinc/08/94/22/564089422.db2.gz FNJOCACZMFGLLM-BKBADNTQSA-N 0 0 327.178 4.548 50 30 EJEARN COc1ccc2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000064438784 564091328 /nfs/dbraw/zinc/09/13/28/564091328.db2.gz XGQPSANVZWLNTI-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN N#Cc1ccccc1COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000006601666 564092647 /nfs/dbraw/zinc/09/26/47/564092647.db2.gz RQEFBWCHOWKZIC-UHFFFAOYSA-N 0 0 329.355 4.708 50 30 EJEARN COc1ccccc1[C@H]1N(c2ccccc2)OC(=O)N1c1ccccc1 ZINC000006720870 564096384 /nfs/dbraw/zinc/09/63/84/564096384.db2.gz YGOAJMNHOMNSDP-HXUWFJFHSA-N 0 0 346.386 4.772 50 30 EJEARN N#Cc1ccccc1CSc1nnc(Nc2ccccc2F)s1 ZINC000006788669 564097829 /nfs/dbraw/zinc/09/78/29/564097829.db2.gz JBILFUDNPAIFMO-UHFFFAOYSA-N 0 0 342.424 4.585 50 30 EJEARN C=CCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000002361686 564099847 /nfs/dbraw/zinc/09/98/47/564099847.db2.gz FBFZVJVNLHMKFH-UHFFFAOYSA-N 0 0 326.446 4.827 50 30 EJEARN Cc1ccc(Sc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000238924076 564105708 /nfs/dbraw/zinc/10/57/08/564105708.db2.gz QTZFABYVWNJFMO-UHFFFAOYSA-N 0 0 326.808 5.326 50 30 EJEARN Cc1ccc2ncc(C#N)c(Nc3ccc(Br)cc3)c2c1 ZINC000017121976 564116494 /nfs/dbraw/zinc/11/64/94/564116494.db2.gz UGVZQMXGZKEIQC-UHFFFAOYSA-N 0 0 338.208 4.921 50 30 EJEARN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Br)o1 ZINC000193039250 564116592 /nfs/dbraw/zinc/11/65/92/564116592.db2.gz JOJHIISJKFCYPU-OCCSQVGLSA-N 0 0 333.229 4.738 50 30 EJEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000210467 564116655 /nfs/dbraw/zinc/11/66/55/564116655.db2.gz GIDGOTRHCNXXKW-OAQYLSRUSA-N 0 0 348.446 4.917 50 30 biogenic EJEARN CCCCC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000252463152 564118765 /nfs/dbraw/zinc/11/87/65/564118765.db2.gz ZGNJPWABIORJIS-UHFFFAOYSA-N 0 0 325.481 4.876 50 30 EJEARN O=C(/C=C\c1cccc2ccccc12)c1cccc(N2CCOC2=O)c1 ZINC000208088243 564120091 /nfs/dbraw/zinc/12/00/91/564120091.db2.gz DZDPUVUWDGHOTQ-QXMHVHEDSA-N 0 0 343.382 4.693 50 30 EJEARN COc1cc(Br)cc(C=Nc2ccc(Cl)cc2)c1O ZINC000252589961 564120841 /nfs/dbraw/zinc/12/08/41/564120841.db2.gz AOTVWKZCCRIMON-UHFFFAOYSA-N 0 0 340.604 4.567 50 30 EJEARN Oc1ccc(Cl)cc1C=Nc1c(-c2ccco2)nc2ccccn21 ZINC000252598711 564121158 /nfs/dbraw/zinc/12/11/58/564121158.db2.gz DCMFCTNUVTZPFK-UHFFFAOYSA-N 0 0 337.766 4.704 50 30 EJEARN N#Cc1c2c(sc1N=Cc1c[nH]nc1-c1ccccc1)CCCC2 ZINC000252616790 564122101 /nfs/dbraw/zinc/12/21/01/564122101.db2.gz KFIRXJJUGJRCSR-UHFFFAOYSA-N 0 0 332.432 4.639 50 30 EJEARN CC(=O)Nc1ccc(N=C/C=C/c2ccc(Br)cc2)cc1 ZINC000252625717 564123282 /nfs/dbraw/zinc/12/32/82/564123282.db2.gz QPZXMXOZBQTFCC-BJWACITRSA-N 0 0 343.224 4.823 50 30 EJEARN CCCCc1c(C)c2ccc3oc(C(C)=NO)c(C)c3c2oc1=O ZINC000252633286 564124157 /nfs/dbraw/zinc/12/41/57/564124157.db2.gz WBOPKJWHMXHCKJ-UHFFFAOYSA-N 0 0 327.380 4.697 50 30 EJEARN C[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000002143307 564130115 /nfs/dbraw/zinc/13/01/15/564130115.db2.gz RUFRUYRQDZSWAT-XDHUDOTRSA-N 0 0 340.422 4.704 50 30 EJEARN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000253500036 564132793 /nfs/dbraw/zinc/13/27/93/564132793.db2.gz ULJOJMSGJSWPSE-RVEDGADZSA-N 0 0 342.479 4.616 50 30 biogenic EJEARN N#Cc1c(=S)[nH]c(SCc2ccccc2)nc1-c1ccccc1 ZINC000000163407 564132951 /nfs/dbraw/zinc/13/29/51/564132951.db2.gz UPJNEFVUQZXCTR-UHFFFAOYSA-N 0 0 335.457 4.596 50 30 EJEARN N#Cc1c(NC(=O)c2cccc3ccccc32)sc2c1CCCC2 ZINC000000244029 564133059 /nfs/dbraw/zinc/13/30/59/564133059.db2.gz WQGDQGAFSDMBLA-UHFFFAOYSA-N 0 0 332.428 4.904 50 30 in-vitro EJEARN Cc1ccc(N2CCc3c2n2c4ccccc4nc2c(C#N)c3C)cc1 ZINC000000344018 564133126 /nfs/dbraw/zinc/13/31/26/564133126.db2.gz GTIRMXNUAWBMSE-UHFFFAOYSA-N 0 0 338.414 4.670 50 30 EJEARN N#Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000000442169 564133236 /nfs/dbraw/zinc/13/32/36/564133236.db2.gz JMOADYPSKHVODS-UHFFFAOYSA-N 0 0 325.582 4.771 50 30 EJEARN N#Cc1ccc2[nH]cc(-c3cnc4cc(Cl)c(Cl)cc4n3)c2c1 ZINC000077024316 564134144 /nfs/dbraw/zinc/13/41/44/564134144.db2.gz GPHKVSJXWVCCLL-UHFFFAOYSA-N 0 0 339.185 4.957 50 30 EJEARN N#Cc1ccccc1-c1c(-c2ccccc2)ncn1[C@H]1CCSC1 ZINC000065386446 564134293 /nfs/dbraw/zinc/13/42/93/564134293.db2.gz COCLBZVNDFVDDS-KRWDZBQOSA-N 0 0 331.444 4.767 50 30 EJEARN CCCc1[nH]c2c(c3nc4ccccc4c1-3)C(=NNCC)CC(C)(C)C2 ZINC000012657042 564135465 /nfs/dbraw/zinc/13/54/65/564135465.db2.gz DLHHBRPGCXPKBF-NLRVBDNBSA-N 0 0 348.494 4.955 50 30 biogenic EJEARN CC(=O)Nc1c[nH]c(C)c1C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000328588656 564136632 /nfs/dbraw/zinc/13/66/32/564136632.db2.gz UIGBLTGIMDHLLP-UHFFFAOYSA-N 0 0 345.830 4.835 50 30 EJEARN CC(=O)Nc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C ZINC000328593004 564136789 /nfs/dbraw/zinc/13/67/89/564136789.db2.gz AWBGOFULEHVSIT-UHFFFAOYSA-N 0 0 331.803 4.956 50 30 EJEARN COc1cccc(C=NOCc2ccc(C(C)(C)C)cc2)c1OC ZINC000254479331 564141163 /nfs/dbraw/zinc/14/11/63/564141163.db2.gz RGPRICQQQGCBFA-UHFFFAOYSA-N 0 0 327.424 4.552 50 30 EJEARN COc1cc2c(c(/C=C\C(=O)c3cc4ccccc4o3)c1)O[C@@H](C)C2 ZINC000096316197 564146747 /nfs/dbraw/zinc/14/67/47/564146747.db2.gz YPBDJPABXLSYNC-WSROAFLRSA-N 0 0 334.371 4.661 50 30 EJEARN Cc1nc(C#N)c(NCc2ccc(Oc3ccc(Cl)cc3)cc2)o1 ZINC000096346500 564146887 /nfs/dbraw/zinc/14/68/87/564146887.db2.gz BROLOTIVEQYFHF-UHFFFAOYSA-N 0 0 339.782 4.913 50 30 EJEARN O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(F)cc1 ZINC000096401752 564147108 /nfs/dbraw/zinc/14/71/08/564147108.db2.gz GQLSMLAJEIRMLV-XFXZXTDPSA-N 0 0 333.362 4.696 50 30 EJEARN COc1ccc2cc(C(=O)/C=C\c3cccc(OC)c3OC)ccc2c1 ZINC000096766656 564148949 /nfs/dbraw/zinc/14/89/49/564148949.db2.gz VZFVGMQFNWHMSO-BENRWUELSA-N 0 0 348.398 4.762 50 30 EJEARN CCCCCCCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000002491628 564149936 /nfs/dbraw/zinc/14/99/36/564149936.db2.gz OYCVSLAPQHHOOW-QFIPXVFZSA-N 0 0 337.463 4.501 50 30 EJEARN Cc1ccsc1-c1c2c(N)c(C#N)sc2nc2c1CCCC2 ZINC000002504052 564150061 /nfs/dbraw/zinc/15/00/61/564150061.db2.gz KSXYNVNTOCNRLD-UHFFFAOYSA-N 0 0 325.462 4.666 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000002713910 564152224 /nfs/dbraw/zinc/15/22/24/564152224.db2.gz JKHMEMXAPWWVSA-UHFFFAOYSA-N 0 0 348.214 4.727 50 30 EJEARN N#Cc1cnn2c1N[C@@H](c1ccc3ccccc3c1)C[C@H]2C(F)(F)F ZINC000002747942 564152438 /nfs/dbraw/zinc/15/24/38/564152438.db2.gz KTMODFAARXPDQS-CVEARBPZSA-N 0 0 342.324 4.568 50 30 EJEARN CCCCc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000002952862 564153747 /nfs/dbraw/zinc/15/37/47/564153747.db2.gz MHMXBZWVUXKFKQ-UHFFFAOYSA-N 0 0 338.476 4.888 50 30 EJEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002974705 564153929 /nfs/dbraw/zinc/15/39/29/564153929.db2.gz OHFXGWKZOCRYNQ-UHFFFAOYSA-N 0 0 340.430 4.994 50 30 EJEARN CC(C)Oc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000057412000 564154003 /nfs/dbraw/zinc/15/40/03/564154003.db2.gz RMJFVBNOOSDUQG-YBFXNURJSA-N 0 0 348.240 4.561 50 30 EJEARN N#Cc1ncc(C(F)(F)F)cc1Oc1ccc(Cl)c2cccnc12 ZINC000003047620 564154609 /nfs/dbraw/zinc/15/46/09/564154609.db2.gz HPCUQWXWSSRLHS-UHFFFAOYSA-N 0 0 349.699 4.966 50 30 EJEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000003191664 564155824 /nfs/dbraw/zinc/15/58/24/564155824.db2.gz SNMIDLUKOAVOFX-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C#N ZINC000004024528 564160078 /nfs/dbraw/zinc/16/00/78/564160078.db2.gz FUZCPLHZMKOTCW-RZTRGMPVSA-N 0 0 341.495 4.832 50 30 biogenic EJEARN C/C(=N\OC(=O)c1cccs1)c1sc(-c2ccccc2)nc1C ZINC000004050417 564160244 /nfs/dbraw/zinc/16/02/44/564160244.db2.gz MLLADFQZCUYNQI-XDHOZWIPSA-N 0 0 342.445 4.761 50 30 EJEARN CO/N=C/[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl ZINC000004090747 564160489 /nfs/dbraw/zinc/16/04/89/564160489.db2.gz QTVDLRBSCYWXBA-IMAFCELCSA-N 0 0 334.750 4.579 50 30 EJEARN CCCCn1c(C=NN=c2[nH]c3ccccc3s2)nc2ccccc21 ZINC000004115905 564160655 /nfs/dbraw/zinc/16/06/55/564160655.db2.gz QGGKMSDADZBGQA-DEDYPNTBSA-N 0 0 349.463 4.892 50 30 EJEARN CC(C)c1nnc(SCc2ccccc2C#N)n1-c1ccccc1 ZINC000004184790 564161069 /nfs/dbraw/zinc/16/10/69/564161069.db2.gz FPNUVFHPMAPEEL-UHFFFAOYSA-N 0 0 334.448 4.555 50 30 EJEARN CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000008614956 564166118 /nfs/dbraw/zinc/16/61/18/564166118.db2.gz IOGSSEPIFAEGHQ-UHFFFAOYSA-N 0 0 332.432 4.789 50 30 EJEARN COc1cc(OC)c(NC(=S)Nc2cccc(C)c2)cc1Cl ZINC000008684929 564166338 /nfs/dbraw/zinc/16/63/38/564166338.db2.gz QMDJIJUFLGJONY-UHFFFAOYSA-N 0 0 336.844 4.695 50 30 EJEARN Cc1ccc(N2[C@H](C#N)c3ccccc3O[C@H]2c2ccccc2O)cc1 ZINC000245226294 564168732 /nfs/dbraw/zinc/16/87/32/564168732.db2.gz PKLILLXSSPWLOR-KNQAVFIVSA-N 0 0 342.398 4.863 50 30 EJEARN CCc1c(C)sc(NC(=O)/C=C/c2c(F)cccc2Cl)c1C#N ZINC000000368817 568422629 /nfs/dbraw/zinc/42/26/29/568422629.db2.gz AZKOAEZXXLHXNW-BQYQJAHWSA-N 0 0 348.830 4.935 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2cc(Cl)ccc2OC)cc1 ZINC000051318906 214089137 /nfs/dbraw/zinc/08/91/37/214089137.db2.gz ILBPQPYUAVGGJW-ZHACJKMWSA-N 0 0 331.799 4.556 50 30 EJEARN Brc1ccc(-n2cccc2C=NNc2ccccc2)cc1 ZINC000004712072 210256648 /nfs/dbraw/zinc/25/66/48/210256648.db2.gz PWUDKAKEIGAPKZ-CPNJWEJPSA-N 0 0 340.224 4.686 50 30 EJEARN CCc1ccc(C(=O)C=CNc2ccc(Br)cc2F)cc1 ZINC000004672962 210243416 /nfs/dbraw/zinc/24/34/16/210243416.db2.gz ROIFGALLFCIIFD-MDZDMXLPSA-N 0 0 348.215 4.959 50 30 EJEARN CC[C@H](C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000004655914 210238006 /nfs/dbraw/zinc/23/80/06/210238006.db2.gz JVXPVMVIJAAOBZ-LBPRGKRZSA-N 0 0 340.806 4.980 50 30 EJEARN C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 ZINC000058305650 214539960 /nfs/dbraw/zinc/53/99/60/214539960.db2.gz JAJSDHKQCDICSC-ZDUSSCGKSA-N 0 0 346.390 4.784 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000004591805 210228541 /nfs/dbraw/zinc/22/85/41/210228541.db2.gz GJCOUEPHBYOHMP-KGENOOAVSA-N 0 0 347.374 4.620 50 30 EJEARN C=CCn1c2ccccc2nc1/N=C(\C)c1ccc(Cl)cc1O ZINC000004567320 210223642 /nfs/dbraw/zinc/22/36/42/210223642.db2.gz MZZSVNBPNUJWEY-UDWIEESQSA-N 0 0 325.799 4.722 50 30 EJEARN C=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)cs1 ZINC000004548690 210218994 /nfs/dbraw/zinc/21/89/94/210218994.db2.gz QTIVGPDNWPFKSI-UHFFFAOYSA-N 0 0 334.444 4.951 50 30 EJEARN Oc1ccc(Cl)cc1/C=N/c1ccc(F)cc1Br ZINC000100037406 219088988 /nfs/dbraw/zinc/08/89/88/219088988.db2.gz LUSUJIHFPCUPLW-REZTVBANSA-N 0 0 328.568 4.698 50 30 EJEARN Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1Br ZINC000100100799 219091939 /nfs/dbraw/zinc/09/19/39/219091939.db2.gz MFOOARBMHSJRRK-CYVLTUHYSA-N 0 0 342.192 4.517 50 30 EJEARN CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(C)cc1 ZINC000100155567 219093401 /nfs/dbraw/zinc/09/34/01/219093401.db2.gz HTPHTRVGGRAEFA-FYJGNVAPSA-N 0 0 334.375 4.716 50 30 EJEARN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 ZINC000004506673 210207963 /nfs/dbraw/zinc/20/79/63/210207963.db2.gz TZEKDGCJVJLRLT-MRXNPFEDSA-N 0 0 342.398 4.842 50 30 EJEARN O=C1C=C(Nc2ccc(F)c(C(F)(F)F)c2)c2ccccc2C1=O ZINC000100286573 219096101 /nfs/dbraw/zinc/09/61/01/219096101.db2.gz MCPUEUSNJOEBDA-HYARGMPZSA-N 0 0 335.256 4.604 50 30 EJEARN FC(F)(F)c1cccc(/N=C/c2c(Cl)nc3sccn23)c1 ZINC000100334796 219096751 /nfs/dbraw/zinc/09/67/51/219096751.db2.gz YGLYQOKCJRHLRA-CNHKJKLMSA-N 0 0 329.734 4.819 50 30 EJEARN CC(C)N1c2ccccc2C(=NNc2ccc(Cl)c(Cl)c2)C1=O ZINC000100322661 219096760 /nfs/dbraw/zinc/09/67/60/219096760.db2.gz GFSWIGNYERLCAF-LTGZKZEYSA-N 0 0 348.233 4.565 50 30 EJEARN Clc1cnc(N=NCc2ccc(Br)cc2)c(Cl)c1 ZINC000004499635 210204529 /nfs/dbraw/zinc/20/45/29/210204529.db2.gz SOAJXFLTSWMYND-UBKPWBPPSA-N 0 0 345.027 4.597 50 30 EJEARN COc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000004181479 210140988 /nfs/dbraw/zinc/14/09/88/210140988.db2.gz DPYIEHCDLNAACN-FOKLQQMPSA-N 0 0 345.324 4.708 50 30 EJEARN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)cc1 ZINC000004149692 210133121 /nfs/dbraw/zinc/13/31/21/210133121.db2.gz VUJXSBWSBMMRCJ-RGVLZGJSSA-N 0 0 336.782 4.922 50 30 EJEARN C[C@@H]1CCc2sc(NC(=O)c3ccccc3Cl)c(C#N)c2C1 ZINC000004070064 210112423 /nfs/dbraw/zinc/11/24/23/210112423.db2.gz CDKZGPIJSJHKFA-SNVBAGLBSA-N 0 0 330.840 4.650 50 30 EJEARN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3cc3ccccc32)nc1 ZINC000004047963 210107333 /nfs/dbraw/zinc/10/73/33/210107333.db2.gz NAZWXVWMNBPKEN-LPYMAVHISA-N 0 0 342.358 4.742 50 30 EJEARN CC(C)c1nc(C#N)c(NCc2ccc(-c3ccccc3F)o2)o1 ZINC000046085996 213780083 /nfs/dbraw/zinc/78/00/83/213780083.db2.gz ZWRVRPMSRSOGHT-UHFFFAOYSA-N 0 0 325.343 4.681 50 30 EJEARN N#Cc1c(N)n(Cc2ccc(Cl)cc2Cl)cc1-c1ccccc1 ZINC000004040104 210105578 /nfs/dbraw/zinc/10/55/78/210105578.db2.gz SWWKJMBDZVGDRC-UHFFFAOYSA-N 0 0 342.229 4.964 50 30 EJEARN COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)c(OC)c1 ZINC000003997948 210097660 /nfs/dbraw/zinc/09/76/60/210097660.db2.gz CYCYUGQCAYBWDH-RMKNXTFCSA-N 0 0 337.202 4.907 50 30 EJEARN Brc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000003909458 210091468 /nfs/dbraw/zinc/09/14/68/210091468.db2.gz VLZHSOCUZZULMP-CXUHLZMHSA-N 0 0 332.226 4.505 50 30 EJEARN COc1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)ccc1O ZINC000003899951 210087823 /nfs/dbraw/zinc/08/78/23/210087823.db2.gz WPDRIMHRSZBVJH-CNHKJKLMSA-N 0 0 345.613 4.807 50 30 EJEARN Cn1cccc1/C=C1\CC(C(C)(C)C)C/C(=C\c2cccn2C)C1=O ZINC000003895436 210086582 /nfs/dbraw/zinc/08/65/82/210086582.db2.gz KMWDDFMSYYVYDH-YXLFCKQPSA-N 0 0 336.479 4.856 50 30 EJEARN CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N ZINC000003637018 210070088 /nfs/dbraw/zinc/07/00/88/210070088.db2.gz VUFHYGBQKBESHC-UHFFFAOYSA-N 0 0 338.354 4.760 50 30 EJEARN C=CCn1c(C)c(C)c(-c2nc(-c3ccc(OC)cc3)cs2)c1N ZINC000102420392 219203055 /nfs/dbraw/zinc/20/30/55/219203055.db2.gz XCZONXIQXOJKRY-UHFFFAOYSA-N 0 0 339.464 4.672 50 30 EJEARN COc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000102580711 219211245 /nfs/dbraw/zinc/21/12/45/219211245.db2.gz IFBMZRCKPGVXPT-UHFFFAOYSA-N 0 0 346.148 4.614 50 30 EJEARN N#Cc1ccc(NC(=O)CSc2ccccc2Cl)cc1Cl ZINC000003380525 210022286 /nfs/dbraw/zinc/02/22/86/210022286.db2.gz LLRXDLKKDTTYSD-UHFFFAOYSA-N 0 0 337.231 4.596 50 30 EJEARN N#Cc1ccc(OCCSc2nc3cc(Cl)ccc3s2)cc1 ZINC000015566222 201958295 /nfs/dbraw/zinc/95/82/95/201958295.db2.gz QHDWNDXOKQHKEW-UHFFFAOYSA-N 0 0 346.864 4.992 50 30 EJEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(OC(F)F)cc1 ZINC000102947838 219243049 /nfs/dbraw/zinc/24/30/49/219243049.db2.gz SRNDAZYQRINDTH-PDGQHHTCSA-N 0 0 343.373 4.782 50 30 EJEARN C=CCOc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000002878082 209934956 /nfs/dbraw/zinc/93/49/56/209934956.db2.gz GMRQENVEUGTXMI-UHFFFAOYSA-N 0 0 343.426 4.771 50 30 EJEARN N#Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002141299 209823338 /nfs/dbraw/zinc/82/33/38/209823338.db2.gz HPDBDGPJEFLCJT-UHFFFAOYSA-N 0 0 339.704 4.874 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000001422986 209745638 /nfs/dbraw/zinc/74/56/38/209745638.db2.gz AEPDCKXWYQVYOB-JTQLQIEISA-N 0 0 339.218 4.667 50 30 EJEARN COC(=O)c1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1 ZINC000001101715 209711822 /nfs/dbraw/zinc/71/18/22/209711822.db2.gz BPCFECVVFDKEGJ-SSDVNMTOSA-N 0 0 348.358 4.565 50 30 EJEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000000567700 209667389 /nfs/dbraw/zinc/66/73/89/209667389.db2.gz ISHNXMIWXNUIOR-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN O=C1c2ccccc2CC/C1=C\c1ccc(F)c(Br)c1 ZINC000020115435 202033392 /nfs/dbraw/zinc/03/33/92/202033392.db2.gz BTFKJZNIESHVHK-UKTHLTGXSA-N 0 0 331.184 4.801 50 30 EJEARN CCOc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000000501490 209637939 /nfs/dbraw/zinc/63/79/39/209637939.db2.gz ANLFASWURISABX-FYJGNVAPSA-N 0 0 339.826 4.983 50 30 EJEARN CCc1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000000479031 209626836 /nfs/dbraw/zinc/62/68/36/209626836.db2.gz SJURZDKLKPIRFQ-VAWYXSNFSA-N 0 0 330.225 4.820 50 30 EJEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)cc1 ZINC000036365601 213090460 /nfs/dbraw/zinc/09/04/60/213090460.db2.gz VYMSBRBDWGKJAO-MRXNPFEDSA-N 0 0 348.793 4.521 50 30 EJEARN O=C1CCCC2=C1C(c1cccc3ccccc31)C1=C(CCCC1=O)N2 ZINC000000439707 209601229 /nfs/dbraw/zinc/60/12/29/209601229.db2.gz SMQARLDWCNGEOG-UHFFFAOYSA-N 0 0 343.426 4.541 50 30 EJEARN CC(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(Cl)cc1Cl)C2=O ZINC000033811509 212964465 /nfs/dbraw/zinc/96/44/65/212964465.db2.gz UXPJOAORPAFLSI-OMCISZLKSA-N 0 0 349.169 4.535 50 30 EJEARN Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)s1 ZINC000033293497 212918460 /nfs/dbraw/zinc/91/84/60/212918460.db2.gz DWKGBRVARJZRTL-MDWZMJQESA-N 0 0 334.853 4.602 50 30 EJEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000000351188 209546505 /nfs/dbraw/zinc/54/65/05/209546505.db2.gz IDWBZHHPWWYHDO-UHFFFAOYSA-N 0 0 330.840 4.794 50 30 EJEARN Cc1ccc(F)c(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000000269227 209512468 /nfs/dbraw/zinc/51/24/68/209512468.db2.gz OGDOOBPUTGMUET-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN CC1(C)Cc2[nH]c(=S)c(C#N)c(-c3ccc(Cl)cc3)c2C(=O)C1 ZINC000000238741 209499983 /nfs/dbraw/zinc/49/99/83/209499983.db2.gz UCEIHDIAIDNTFO-UHFFFAOYSA-N 0 0 342.851 4.717 50 30 EJEARN CCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1 ZINC000000129454 209438939 /nfs/dbraw/zinc/43/89/39/209438939.db2.gz MGKJBJDJKAFYHI-UHFFFAOYSA-N 0 0 343.814 4.754 50 30 EJEARN C=C(C)COc1ccc2c(c1)oc(C)c(-c1ccccc1OC)c2=O ZINC000000464555 201357679 /nfs/dbraw/zinc/35/76/79/201357679.db2.gz FMDMBEMLICOQRR-UHFFFAOYSA-N 0 0 336.387 4.732 50 30 biogenic EJEARN N#Cc1cccnc1NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000024106892 212410627 /nfs/dbraw/zinc/41/06/27/212410627.db2.gz BXROZHABQKPUFE-LJQANCHMSA-N 0 0 338.414 4.679 50 30 EJEARN C/C(=N\OC(=O)c1ccc(C)cc1)c1csc(-c2ccccc2)n1 ZINC000000122666 201438260 /nfs/dbraw/zinc/43/82/60/201438260.db2.gz VZQOLUPITLIPRL-KGENOOAVSA-N 0 0 336.416 4.700 50 30 EJEARN CC(=O)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000135283 201439006 /nfs/dbraw/zinc/43/90/06/201439006.db2.gz KIQRQMAMHARPSV-UHFFFAOYSA-N 0 0 340.386 4.614 50 30 EJEARN COc1ccc(/C=N/c2nc(-c3ccccc3)c(C)s2)c(OC)c1 ZINC000000286115 201457442 /nfs/dbraw/zinc/45/74/42/201457442.db2.gz AYIJAEOFBLPVPV-UDWIEESQSA-N 0 0 338.432 4.886 50 30 EJEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000004194410 201593132 /nfs/dbraw/zinc/59/31/32/201593132.db2.gz VXQNUODVJAODDT-SOFGYWHQSA-N 0 0 325.345 4.812 50 30 EJEARN Cc1cc(C(=O)OCc2ccc(C#N)cc2)c(C)n1-c1ccc(C)cc1 ZINC000004297743 201596401 /nfs/dbraw/zinc/59/64/01/201596401.db2.gz IBSYKAVLBKGHHV-UHFFFAOYSA-N 0 0 344.414 4.631 50 30 EJEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1 ZINC000004333511 201597359 /nfs/dbraw/zinc/59/73/59/201597359.db2.gz RRTDGOBHVBCFST-UHFFFAOYSA-N 0 0 332.451 4.610 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000006253627 201677040 /nfs/dbraw/zinc/67/70/40/201677040.db2.gz VFWWGXPUKBEQSQ-NSHDSACASA-N 0 0 344.867 4.579 50 30 EJEARN CC(C)c1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000020827294 212175341 /nfs/dbraw/zinc/17/53/41/212175341.db2.gz RTFVUZIPGXIUBR-UHFFFAOYSA-N 0 0 327.472 4.673 50 30 EJEARN N#Cc1c(N)nc(-c2cccnc2)cc1-c1ccc(Cl)cc1Cl ZINC000020292592 212116713 /nfs/dbraw/zinc/11/67/13/212116713.db2.gz VQSZDLBKLZNGAQ-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN CCCCCNc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2 ZINC000020057503 212098514 /nfs/dbraw/zinc/09/85/14/212098514.db2.gz RZUFQVUFOQBDKW-UHFFFAOYSA-N 0 0 329.488 4.605 50 30 EJEARN CCc1nc(SCc2ccc(F)cc2)c(C#N)c2c1CCCC2 ZINC000019957033 212089319 /nfs/dbraw/zinc/08/93/19/212089319.db2.gz NSCHWKIMVKUXSS-UHFFFAOYSA-N 0 0 326.440 4.826 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000019737334 212059140 /nfs/dbraw/zinc/05/91/40/212059140.db2.gz HCUPGODPZSFEIH-QMMMGPOBSA-N 0 0 330.240 4.573 50 30 EJEARN CCCCCCCCCc1cc(C(N)=O)nc(SCCCC)n1 ZINC000100698539 203996827 /nfs/dbraw/zinc/99/68/27/203996827.db2.gz CJLJFGJJLRVOCV-UHFFFAOYSA-N 0 0 337.533 4.761 50 30 EJEARN O=C1c2ccccc2C2=C1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000102682027 204046416 /nfs/dbraw/zinc/04/64/16/204046416.db2.gz RUDCQSLONISTIG-KRWDZBQOSA-N 0 0 333.412 4.890 50 30 EJEARN N#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 ZINC000017995719 211976446 /nfs/dbraw/zinc/97/64/46/211976446.db2.gz CPKWIIGGNSBNSB-RYQLWAFASA-N 0 0 334.382 4.931 50 30 EJEARN CCOc1ccc2ncc(C#N)c(Nc3cccc(SC)c3)c2c1 ZINC000016840757 211937243 /nfs/dbraw/zinc/93/72/43/211937243.db2.gz DFGSNQWTUKFHCI-UHFFFAOYSA-N 0 0 335.432 4.971 50 30 EJEARN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\Sc2ccccc2C1=O ZINC000016212413 211889099 /nfs/dbraw/zinc/88/90/99/211889099.db2.gz SFRJTSDEALTQMV-NDENLUEZSA-N 0 0 346.455 4.878 50 30 EJEARN COc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000006257000 205804393 /nfs/dbraw/zinc/80/43/93/205804393.db2.gz GGQFXEKKSKILPX-DHZHZOJOSA-N 0 0 340.419 4.732 50 30 EJEARN C=CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000014171096 211699784 /nfs/dbraw/zinc/69/97/84/211699784.db2.gz HKLRBPWRBWPAJQ-UHFFFAOYSA-N 0 0 328.824 4.783 50 30 EJEARN Cc1ccc(CNC(=S)Nc2cc(C)ccc2OC(F)F)cc1 ZINC000013519527 211571401 /nfs/dbraw/zinc/57/14/01/211571401.db2.gz LEQRLBXGBHUWSQ-UHFFFAOYSA-N 0 0 336.407 4.803 50 30 EJEARN CC(C)(C)c1ccc(OCCNC(=S)Nc2ccccc2)cc1 ZINC000013518615 211570187 /nfs/dbraw/zinc/57/01/87/211570187.db2.gz UVCIDWYNCGVIJI-UHFFFAOYSA-N 0 0 328.481 4.761 50 30 EJEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1C ZINC000012032549 211281779 /nfs/dbraw/zinc/28/17/79/211281779.db2.gz NRKAWOXIRZOACJ-YBEGLDIGSA-N 0 0 342.851 4.848 50 30 EJEARN Cc1sc(NC(=O)CCCSc2ccc(F)cc2)c(C#N)c1C ZINC000010218145 211154359 /nfs/dbraw/zinc/15/43/59/211154359.db2.gz HBLBJHUAMLUJKW-UHFFFAOYSA-N 0 0 348.468 4.887 50 30 EJEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 ZINC000009088403 211039293 /nfs/dbraw/zinc/03/92/93/211039293.db2.gz GZBPDTGPLLOQMH-YBTHPKLGSA-N 0 0 340.373 4.797 50 30 EJEARN N#Cc1ccc(N[C@H](c2cc3ccccc3o2)c2ccccc2)nc1 ZINC000095946984 218458177 /nfs/dbraw/zinc/45/81/77/218458177.db2.gz BMUHBXDSKFKGHD-NRFANRHFSA-N 0 0 325.371 4.901 50 30 EJEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2cccc(C)c2)NC1=O ZINC000006924190 210744318 /nfs/dbraw/zinc/74/43/18/210744318.db2.gz KIBXIHOXVUEGOI-UDUFOJABSA-N 0 0 334.444 4.833 50 30 EJEARN N#Cc1ccccc1COC(=O)c1sc2ccccc2c1Cl ZINC000006948979 210749738 /nfs/dbraw/zinc/74/97/38/210749738.db2.gz SKUDYUCJSUFNAV-UHFFFAOYSA-N 0 0 327.792 4.783 50 30 EJEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCc1cccs1 ZINC000096346299 218745747 /nfs/dbraw/zinc/74/57/47/218745747.db2.gz IUVGKBHFCLEIHK-JKSUJKDBSA-N 0 0 335.432 4.533 50 30 EJEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 ZINC000005156139 210403305 /nfs/dbraw/zinc/40/33/05/210403305.db2.gz CQKFGDZKTTZRAL-NHDPSOOVSA-N 0 0 343.382 4.585 50 30 EJEARN CCCOc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC ZINC000005072997 210385067 /nfs/dbraw/zinc/38/50/67/210385067.db2.gz KIKVBDCXGCPZGI-VZUCSPMQSA-N 0 0 328.383 4.909 50 30 EJEARN O=C1c2ccccc2C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005128872 210396357 /nfs/dbraw/zinc/39/63/57/210396357.db2.gz VKUWWAKTYNCJFO-NTCAYCPXSA-N 0 0 331.327 4.677 50 30 EJEARN C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 ZINC000005123992 210394726 /nfs/dbraw/zinc/39/47/26/210394726.db2.gz YKTDBFRNXMIPFJ-HNENSFHCSA-N 0 0 337.404 4.543 50 30 EJEARN N#Cc1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)CCC2 ZINC000005063344 210380603 /nfs/dbraw/zinc/38/06/03/210380603.db2.gz ZPUVLHOLTPUSNZ-UHFFFAOYSA-N 0 0 340.492 4.653 50 30 EJEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1cccs1 ZINC000005009644 210360476 /nfs/dbraw/zinc/36/04/76/210360476.db2.gz PUWBYRYCTCLZNB-YQLNASGTSA-N 0 0 342.239 4.769 50 30 EJEARN Cc1cccc(N2CCC/C2=N\c2cc(N(C)C)nc3ccccc23)c1 ZINC000004955415 210338913 /nfs/dbraw/zinc/33/89/13/210338913.db2.gz LRSYMZLYGIXHBD-DARPEHSRSA-N 0 0 344.462 4.940 50 30 EJEARN CC[C@@H](C)n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000004949224 210337756 /nfs/dbraw/zinc/33/77/56/210337756.db2.gz KDSLBPDYLQVTBG-CQSZACIVSA-N 0 0 349.459 4.531 50 30 EJEARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)-c1ccccc1C2 ZINC000004949689 210337113 /nfs/dbraw/zinc/33/71/13/210337113.db2.gz VSWUXPZUDIOPRQ-VQHVLOKHSA-N 0 0 331.327 4.655 50 30 EJEARN CCSC1=N/C(=C\c2ccc(OC)c3ccccc23)C(=O)S1 ZINC000004845314 210298217 /nfs/dbraw/zinc/29/82/17/210298217.db2.gz DEMFYTANDOLYGC-UVTDQMKNSA-N 0 0 329.446 4.572 50 30 EJEARN CCOc1cc(C#N)cc(Br)c1OCc1ccccc1C ZINC000004807876 210281868 /nfs/dbraw/zinc/28/18/68/210281868.db2.gz WVJDAMZUXAAICX-UHFFFAOYSA-N 0 0 346.224 4.607 50 30 EJEARN O=C(ON=C(c1cccs1)c1cccs1)c1c(F)cccc1F ZINC000000133198 258047674 /nfs/dbraw/zinc/04/76/74/258047674.db2.gz NDRXDTXKERHMJR-UHFFFAOYSA-N 0 0 349.383 4.697 50 30 EJEARN Cc1nsc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c1C#N ZINC000328598511 258042018 /nfs/dbraw/zinc/04/20/18/258042018.db2.gz MJTBDSLESZGYHQ-ZDUSSCGKSA-N 0 0 343.452 4.811 50 30 EJEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(OCC)c2c(C)oc(C)c21 ZINC000334156961 258016413 /nfs/dbraw/zinc/01/64/13/258016413.db2.gz KIZDKAWAHXKSCQ-UHFFFAOYSA-N 0 0 338.403 4.657 50 30 EJEARN C=CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000012977459 258016994 /nfs/dbraw/zinc/01/69/94/258016994.db2.gz XQJGUNPNLPFTOJ-OAHLLOKOSA-N 0 0 327.449 4.679 50 30 EJEARN C=CCOc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1C ZINC000012138055 258017165 /nfs/dbraw/zinc/01/71/65/258017165.db2.gz BBWMFUBYERWCBX-UHFFFAOYSA-N 0 0 345.826 4.539 50 30 EJEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2o1 ZINC000008076072 258018109 /nfs/dbraw/zinc/01/81/09/258018109.db2.gz KSNWTSIYDHFVGY-UHFFFAOYSA-N 0 0 331.824 4.976 50 30 EJEARN O=C(/C=C/S/C=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002581937 258049958 /nfs/dbraw/zinc/04/99/58/258049958.db2.gz GXDKTQXTLFCGHK-WGDLNXRISA-N 0 0 330.355 4.791 50 30 EJEARN Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)c21 ZINC000069701920 258063736 /nfs/dbraw/zinc/06/37/36/258063736.db2.gz PYHPPFIPMBCUOU-CQSZACIVSA-N 0 0 345.427 4.505 50 30 EJEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681723 258067313 /nfs/dbraw/zinc/06/73/13/258067313.db2.gz ROVMKEZVKFJNBD-UHFFFAOYSA-N 0 0 338.038 4.652 50 30 EJEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(F)cc1)c1ccccc1 ZINC000245239957 258073083 /nfs/dbraw/zinc/07/30/83/258073083.db2.gz IENDWHCBHFUQEK-UHFFFAOYSA-N 0 0 343.357 4.642 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256518048 258073494 /nfs/dbraw/zinc/07/34/94/258073494.db2.gz ZNWOYQVXPIEQRC-DOHUHWCYSA-N 0 0 330.512 4.763 50 30 EJEARN N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3cccs3)cc2)cc1 ZINC000003353961 262506152 /nfs/dbraw/zinc/50/61/52/262506152.db2.gz WFKBVUDFAGCHGE-VAWYXSNFSA-N 0 0 331.396 4.906 50 30 EJEARN CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000013468856 517313021 /nfs/dbraw/zinc/31/30/21/517313021.db2.gz VFFOKZZMLPKPMY-KRWDZBQOSA-N 0 0 343.883 4.715 50 30 EJEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000043761242 518461679 /nfs/dbraw/zinc/46/16/79/518461679.db2.gz JBRSVYPSGPEECH-HZHRSRAPSA-N 0 0 347.487 4.865 50 30 EJEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1 ZINC000043761259 518467551 /nfs/dbraw/zinc/46/75/51/518467551.db2.gz BURSBQLPMYQBJO-RGVLZGJSSA-N 0 0 328.828 4.695 50 30 EJEARN C=C(Cl)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000014674818 518650773 /nfs/dbraw/zinc/65/07/73/518650773.db2.gz SMYPXTVATRREPP-UHFFFAOYSA-N 0 0 344.823 4.510 50 30 EJEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2[nH]1 ZINC000014201731 518780713 /nfs/dbraw/zinc/78/07/13/518780713.db2.gz MBPUKEXXDYENTQ-UHFFFAOYSA-N 0 0 330.840 4.711 50 30 EJEARN CC(C)(CCc1ccccc1)NC(=O)CSc1ccccc1O ZINC000328591047 519226054 /nfs/dbraw/zinc/22/60/54/519226054.db2.gz OCHZUACWTPLCHS-UHFFFAOYSA-N 0 0 329.465 4.852 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cccc(C)c1 ZINC000004345979 519245618 /nfs/dbraw/zinc/24/56/18/519245618.db2.gz GVNQWQVZCVMJEE-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN CCCNC(=O)c1ccsc1/N=C/c1ccccc1OCC(C)C ZINC000006399709 519905778 /nfs/dbraw/zinc/90/57/78/519905778.db2.gz MSSRSMWCVBJJQN-CIAFOILYSA-N 0 0 344.480 4.673 50 30 EJEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(F)cc2)o1 ZINC000101411519 520070245 /nfs/dbraw/zinc/07/02/45/520070245.db2.gz UAHITZDXARNAJN-FYJGNVAPSA-N 0 0 328.391 4.644 50 30 EJEARN CCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 ZINC000002051771 520107977 /nfs/dbraw/zinc/10/79/77/520107977.db2.gz CGWRQKKCAXAJMV-KNTRCKAVSA-N 0 0 349.430 4.990 50 30 EJEARN CCCCCOc1ccc(CN=NC(=S)Nc2ccccc2)cc1 ZINC000004136705 520251472 /nfs/dbraw/zinc/25/14/72/520251472.db2.gz DZABBSPTPJKEQA-HMMYKYKNSA-N 0 0 341.480 4.987 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2ccc(OCC(F)(F)C(F)F)cc2)C1 ZINC000000230382 520272250 /nfs/dbraw/zinc/27/22/50/520272250.db2.gz SONJVEWBAAHKRQ-UHFFFAOYSA-N 0 0 345.336 4.651 50 30 EJEARN CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)c(F)c1)O[C@H](C)C2 ZINC000015349058 520790489 /nfs/dbraw/zinc/79/04/89/520790489.db2.gz FTJFXCOINJDTEE-HOSRBBHYSA-N 0 0 344.357 4.583 50 30 EJEARN CCCCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OC ZINC000096767427 520847135 /nfs/dbraw/zinc/84/71/35/520847135.db2.gz MALOFZYWZSUKJQ-VBKFSLOCSA-N 0 0 338.403 4.533 50 30 EJEARN CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 ZINC000008691675 521014243 /nfs/dbraw/zinc/01/42/43/521014243.db2.gz GYIQBKVNTUGWSU-UHFFFAOYSA-N 0 0 346.521 4.716 50 30 EJEARN COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000004289865 523399599 /nfs/dbraw/zinc/39/95/99/523399599.db2.gz HRSZPSHGRCENCN-VMPITWQZSA-N 0 0 337.202 4.907 50 30 biogenic EJEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004119051 523539186 /nfs/dbraw/zinc/53/91/86/523539186.db2.gz FVRSBTGWPRLARO-ZRDIBKRKSA-N 0 0 349.342 4.760 50 30 EJEARN COc1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000005808016 523884018 /nfs/dbraw/zinc/88/40/18/523884018.db2.gz GFYGTFXMFBVZNV-UHFFFAOYSA-N 0 0 342.394 4.844 50 30 EJEARN C[C@@H](CCC#N)Sc1nnc(-c2ccncc2)n1C1CCCCC1 ZINC000253416165 524438424 /nfs/dbraw/zinc/43/84/24/524438424.db2.gz GJJBFQKROMFSFC-AWEZNQCLSA-N 0 0 341.484 4.630 50 30 EJEARN COc1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 ZINC000328589869 524901630 /nfs/dbraw/zinc/90/16/30/524901630.db2.gz ITVTWAHMVSCGQS-UHFFFAOYSA-N 0 0 338.388 4.678 50 30 EJEARN COc1ccc2cc(C(=O)/C=C/c3cccc(OC)c3OC)ccc2c1 ZINC000006897855 525620944 /nfs/dbraw/zinc/62/09/44/525620944.db2.gz VZFVGMQFNWHMSO-ZRDIBKRKSA-N 0 0 348.398 4.762 50 30 EJEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C#N)n2)o1 ZINC000072640582 525729701 /nfs/dbraw/zinc/72/97/01/525729701.db2.gz IBTCHDYLRGCXQY-VIFPVBQESA-N 0 0 337.326 4.545 50 30 EJEARN Cc1nc(N=NCc2ccccc2OCc2ccccc2)sc1C ZINC000031854513 526961130 /nfs/dbraw/zinc/96/11/30/526961130.db2.gz UGIFGZJPHXUWBO-NDENLUEZSA-N 0 0 337.448 4.785 50 30 EJEARN O=[N+]([O-])c1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1 ZINC000004947838 527384679 /nfs/dbraw/zinc/38/46/79/527384679.db2.gz PMJOORVCADGAOD-RCCKNPSSSA-N 0 0 331.375 4.636 50 30 EJEARN O=[N+]([O-])c1ccccc1N=NCc1ccccc1OCc1ccccc1 ZINC000004119238 527403070 /nfs/dbraw/zinc/40/30/70/527403070.db2.gz UWNDUGAVAGVIKN-KGENOOAVSA-N 0 0 347.374 4.620 50 30 EJEARN CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000170600057 528648566 /nfs/dbraw/zinc/64/85/66/528648566.db2.gz XYXCUHCPGLKTRH-NRFANRHFSA-N 0 0 347.462 4.524 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)NCc1ccc(C)cc1 ZINC000100246245 563982433 /nfs/dbraw/zinc/98/24/33/563982433.db2.gz UAINUBDTHATBDY-SDNWHVSQSA-N 0 0 344.252 4.634 50 30 EJEARN CS/C(=N\C(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H](C)C1 ZINC000000079577 563218363 /nfs/dbraw/zinc/21/83/63/563218363.db2.gz VDMJPBLERXQRJZ-XYGCICOMSA-N 0 0 345.295 4.585 50 30 EJEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000000107454 563228548 /nfs/dbraw/zinc/22/85/48/563228548.db2.gz LQCFCHBEGMRWQL-NRFANRHFSA-N 0 0 334.419 4.671 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3Cl)C12 ZINC000000222628 563262589 /nfs/dbraw/zinc/26/25/89/563262589.db2.gz GNCLNZCPZKNDNX-IBGZPJMESA-N 0 0 349.821 4.712 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccccc3Cl)C12 ZINC000000222632 563262661 /nfs/dbraw/zinc/26/26/61/563262661.db2.gz GNCLNZCPZKNDNX-LJQANCHMSA-N 0 0 349.821 4.712 50 30 EJEARN C=CCn1c2ccccc2nc1/N=C/c1ccc(Br)cc1 ZINC000000349281 563288704 /nfs/dbraw/zinc/28/87/04/563288704.db2.gz VDZVGYUBXHDMHQ-XDHOZWIPSA-N 0 0 340.224 4.735 50 30 EJEARN CCOC(=O)c1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1 ZINC000000559004 563346951 /nfs/dbraw/zinc/34/69/51/563346951.db2.gz NORLYPRAOOIXDU-CJLVFECKSA-N 0 0 336.435 4.604 50 30 EJEARN COC(=O)c1ccccc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1 ZINC000001107641 563374919 /nfs/dbraw/zinc/37/49/19/563374919.db2.gz TVWRSOOEZBPUPC-FYWRMAATSA-N 0 0 344.366 4.556 50 30 EJEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1 ZINC000001401078 563387442 /nfs/dbraw/zinc/38/74/42/563387442.db2.gz IFQWLNBPNCWREL-MRXNPFEDSA-N 0 0 337.835 4.937 50 30 EJEARN Cc1cc(C)c(Cc2c(C)cc(C)c(/C=N/O)c2C)c(C)c1/C=N/O ZINC000002464439 563432665 /nfs/dbraw/zinc/43/26/65/563432665.db2.gz SBCOHXALLRXALM-CZGKVYIXSA-N 0 0 338.451 4.744 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004401928 563502137 /nfs/dbraw/zinc/50/21/37/563502137.db2.gz ZMPSVRONWFYITH-RCCKNPSSSA-N 0 0 331.375 4.636 50 30 EJEARN CCNc1ccccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O ZINC000004667377 563507307 /nfs/dbraw/zinc/50/73/07/563507307.db2.gz DOVIVHXZCDQNDE-ZHACJKMWSA-N 0 0 348.229 4.682 50 30 EJEARN CC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000004740467 563509578 /nfs/dbraw/zinc/50/95/78/563509578.db2.gz TVOMIQVKMUKJGG-OAHLLOKOSA-N 0 0 333.218 4.916 50 30 EJEARN CCSC1=N/C(=C\c2c(OC)ccc3ccccc32)C(=O)S1 ZINC000004755329 563510391 /nfs/dbraw/zinc/51/03/91/563510391.db2.gz CRBXMHABUKJNJJ-UVTDQMKNSA-N 0 0 329.446 4.572 50 30 EJEARN COc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1O ZINC000005286883 563525216 /nfs/dbraw/zinc/52/52/16/563525216.db2.gz CQOZPXMKTSNFGK-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN CC1=C(C(=O)C=Cc2cccc([N+](=O)[O-])c2)Sc2ccccc2N1 ZINC000005567516 563539949 /nfs/dbraw/zinc/53/99/49/563539949.db2.gz DIUBIFHLVMHFHQ-MDZDMXLPSA-N 0 0 338.388 4.626 50 30 EJEARN COc1ccc2c(c1)CC/C(=C/c1ccccc1OC(F)F)C2=O ZINC000006432010 563568061 /nfs/dbraw/zinc/56/80/61/563568061.db2.gz WPSKDXKWJLFGPA-UVTDQMKNSA-N 0 0 330.330 4.509 50 30 EJEARN CCCCCCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002742084 563608666 /nfs/dbraw/zinc/60/86/66/563608666.db2.gz JXYQQTHELUBGTI-UHFFFAOYSA-N 0 0 337.332 4.863 50 30 EJEARN O=C(c1ccco1)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1 ZINC000013807515 563724122 /nfs/dbraw/zinc/72/41/22/563724122.db2.gz KVFRTXUPGCHYSV-AQTBWJFISA-N 0 0 347.395 4.756 50 30 EJEARN C[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc(-c2ccccc2)cc1 ZINC000032806327 563741010 /nfs/dbraw/zinc/74/10/10/563741010.db2.gz IDWXCADGPVADTF-AWEZNQCLSA-N 0 0 344.374 4.702 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccsc3)S2)cc1Cl ZINC000015016546 563772701 /nfs/dbraw/zinc/77/27/01/563772701.db2.gz LHIPFSHCCGJRQG-MLPAPPSSSA-N 0 0 334.853 4.602 50 30 EJEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(F)F ZINC000015231462 563780364 /nfs/dbraw/zinc/78/03/64/563780364.db2.gz FRQXQFPCRJDTNT-OQLLNIDSSA-N 0 0 334.343 4.626 50 30 EJEARN O=C1c2ccccc2N[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1O ZINC000000374659 563841613 /nfs/dbraw/zinc/84/16/13/563841613.db2.gz SJAKAIYFDMPRAR-KRWDZBQOSA-N 0 0 340.766 4.556 50 30 aggregator EJEARN O=C1Nc2ccccc2/C1=N/c1cc(Cl)c(Cl)cc1Cl ZINC000018093546 563848254 /nfs/dbraw/zinc/84/82/54/563848254.db2.gz UCUBITURNGSIBV-UHFFFAOYSA-N 0 0 325.582 4.720 50 30 EJEARN Oc1ccc2ccccc2c1/C=N/c1cnc(-c2ccccc2)nc1 ZINC000022204212 563918558 /nfs/dbraw/zinc/91/85/58/563918558.db2.gz YPDORCNJJFNSIJ-HYARGMPZSA-N 0 0 325.371 4.753 50 30 EJEARN Oc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1F ZINC000044835907 563926671 /nfs/dbraw/zinc/92/66/71/563926671.db2.gz QJJKRPSZWHKXLL-REZTVBANSA-N 0 0 328.568 4.698 50 30 EJEARN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)c3ccccc32)C1(CC)CC ZINC000328829328 563971943 /nfs/dbraw/zinc/97/19/43/563971943.db2.gz UDATYJRTUAHQSF-NZSAHSFTSA-N 0 0 343.467 4.687 50 30 EJEARN C#CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095682135 563977619 /nfs/dbraw/zinc/97/76/19/563977619.db2.gz UEYXJPFQJDFMGD-UHFFFAOYSA-N 0 0 344.070 4.564 50 30 EJEARN N#CCOc1ccccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 ZINC000044027415 563980797 /nfs/dbraw/zinc/98/07/97/563980797.db2.gz PAMFVGOTMGCISP-JXMROGBWSA-N 0 0 331.293 4.504 50 30 EJEARN CCCCCCCCCCNC(=O)[C@H](OC(C)=O)c1ccccc1 ZINC000097950619 563982127 /nfs/dbraw/zinc/98/21/27/563982127.db2.gz XDWZGIKJCUZYCW-LJQANCHMSA-N 0 0 333.472 4.548 50 30 EJEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc2ccccc2nc1Cl ZINC000100103562 563982354 /nfs/dbraw/zinc/98/23/54/563982354.db2.gz JXVTZKZNYGCNKR-VXLYETTFSA-N 0 0 325.755 4.855 50 30 EJEARN CCCCCCCCCCCCCCCc1c(N)c(=O)n(C)n1C ZINC000100854420 563982780 /nfs/dbraw/zinc/98/27/80/563982780.db2.gz PCHGUYXDJMULQP-UHFFFAOYSA-N 0 0 337.552 4.940 50 30 EJEARN Cc1ccccc1NC(=O)c1cc(C#N)c2c3ccccc3ccn12 ZINC000085414487 563986333 /nfs/dbraw/zinc/98/63/33/563986333.db2.gz OLIUYWRYLSTSNX-UHFFFAOYSA-N 0 0 325.371 4.525 50 30 EJEARN Cc1ccc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CCCC3=O)cc1 ZINC000000107142 563986473 /nfs/dbraw/zinc/98/64/73/563986473.db2.gz BTVFGSNREGWABP-INIZCTEOSA-N 0 0 337.444 4.584 50 30 EJEARN Cc1cccc(OCc2nc(C#N)c(N[C@H](C)c3ccccc3)o2)c1 ZINC000000108151 563986576 /nfs/dbraw/zinc/98/65/76/563986576.db2.gz RIHMMLGULVTPSK-OAHLLOKOSA-N 0 0 333.391 4.607 50 30 EJEARN Oc1ccc(Cl)cc1/C=N\c1ccc(F)cc1Br ZINC000000145507 563987203 /nfs/dbraw/zinc/98/72/03/563987203.db2.gz LUSUJIHFPCUPLW-IDUWFGFVSA-N 0 0 328.568 4.698 50 30 EJEARN N#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1C#N ZINC000000190267 563988124 /nfs/dbraw/zinc/98/81/24/563988124.db2.gz UZXAQYLNUKMZDQ-UHFFFAOYSA-N 0 0 326.355 4.801 50 30 EJEARN Cc1c(C#N)c2nc3ccccc3n2c(O)c1Cc1ccc(Cl)cc1 ZINC000000202988 563988393 /nfs/dbraw/zinc/98/83/93/563988393.db2.gz DQMIPPMSHQPKHF-UHFFFAOYSA-N 0 0 347.805 4.617 50 30 EJEARN COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000000243086 563989190 /nfs/dbraw/zinc/98/91/90/563989190.db2.gz IYSRPPWJRIDGCQ-DJKKODMXSA-N 0 0 340.206 4.770 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000000271958 563990078 /nfs/dbraw/zinc/99/00/78/563990078.db2.gz DXHQHHJPBCTRKH-JOCHJYFZSA-N 0 0 342.398 4.614 50 30 EJEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)C#N)n2)o1 ZINC000072640583 563996437 /nfs/dbraw/zinc/99/64/37/563996437.db2.gz IBTCHDYLRGCXQY-SECBINFHSA-N 0 0 337.326 4.545 50 30 EJEARN COc1ccccc1-n1c(-c2ccccc2)cnc1SCCCC#N ZINC000005174866 563999985 /nfs/dbraw/zinc/99/99/85/563999985.db2.gz UEYIDXOQXMWBPU-UHFFFAOYSA-N 0 0 349.459 4.944 50 30 EJEARN CSc1sc(C(=O)N2CCCCC2)c(-c2cccs2)c1C#N ZINC000000095897 564002016 /nfs/dbraw/zinc/00/20/16/564002016.db2.gz KJGAHOUYBDABHC-UHFFFAOYSA-N 0 0 348.518 4.696 50 30 EJEARN C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1 ZINC000005380576 564003409 /nfs/dbraw/zinc/00/34/09/564003409.db2.gz ARHUWEUEMPGHTO-UHFFFAOYSA-N 0 0 342.320 4.570 50 30 EJEARN CCN(C=Nc1nc2c(c(-c3ccccc3)c1C#N)CCCC2)CC ZINC000005655799 564007044 /nfs/dbraw/zinc/00/70/44/564007044.db2.gz OTNLMBULSKDKJE-UHFFFAOYSA-N 0 0 332.451 4.501 50 30 EJEARN Fc1cccc(OC(C(F)(F)F)C(F)(F)F)c1C(F)(F)F ZINC000169725646 564017196 /nfs/dbraw/zinc/01/71/96/564017196.db2.gz RZPVFFGDNCNRMA-UHFFFAOYSA-N 0 0 330.121 4.717 50 30 EJEARN Cc1scc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000180741550 564013540 /nfs/dbraw/zinc/01/35/40/564013540.db2.gz JXPGVSNWMPICHB-NSHDSACASA-N 0 0 345.374 4.600 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCC2 ZINC000000483558 564016852 /nfs/dbraw/zinc/01/68/52/564016852.db2.gz JBVJVNXBRXNNFC-CMDGGOBGSA-N 0 0 328.462 4.602 50 30 EJEARN N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@H]21 ZINC000005694072 564019153 /nfs/dbraw/zinc/01/91/53/564019153.db2.gz LRFWRFJDCUXCJN-PZJWPPBQSA-N 0 0 345.471 4.673 50 30 EJEARN C=C(C)COc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000000526848 564021239 /nfs/dbraw/zinc/02/12/39/564021239.db2.gz YEMBGRFPXHWQMC-UHFFFAOYSA-N 0 0 341.432 4.742 50 30 biogenic EJEARN Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)c1 ZINC000000567701 564023431 /nfs/dbraw/zinc/02/34/31/564023431.db2.gz RONPEOZACYFXNO-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN N#Cc1ccccc1Cn1cc(C(=O)c2ccccc2)c2ccccc21 ZINC000000573690 564023973 /nfs/dbraw/zinc/02/39/73/564023973.db2.gz ZQUBZBGLIZSCOO-UHFFFAOYSA-N 0 0 336.394 4.792 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2cccc(C(C)=O)c2)cc1 ZINC000051318533 564024463 /nfs/dbraw/zinc/02/44/63/564024463.db2.gz BEXVUHWEYWIZNV-OUKQBFOZSA-N 0 0 337.419 4.877 50 30 EJEARN N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000014855776 564025033 /nfs/dbraw/zinc/02/50/33/564025033.db2.gz HXTMUXPUZGDDIW-SFHVURJKSA-N 0 0 344.380 5.000 50 30 EJEARN CCOc1ccc2c(c1)C(=O)/C(=C(\C)NCc1ccc(F)cc1)S2 ZINC000108825933 564028494 /nfs/dbraw/zinc/02/84/94/564028494.db2.gz SJDTYUFWMSNKRR-UNOMPAQXSA-N 0 0 343.423 4.534 50 30 EJEARN O=C(C=C(Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000109345022 564028940 /nfs/dbraw/zinc/02/89/40/564028940.db2.gz UDFUAUKUXTZBDJ-HKWRFOASSA-N 0 0 344.370 4.931 50 30 EJEARN C/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000008156636 564034766 /nfs/dbraw/zinc/03/47/66/564034766.db2.gz RYRYVAGYAXWNMO-JMIUGGIZSA-N 0 0 330.218 4.895 50 30 EJEARN Cc1ccc(NC(=O)c2cccc(C#Cc3ccccc3)c2)cc1C ZINC000002902666 564036499 /nfs/dbraw/zinc/03/64/99/564036499.db2.gz PDXGRUHBDLEKIW-UHFFFAOYSA-N 0 0 325.411 4.956 50 30 EJEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1c(F)cccc1F ZINC000029206690 564047776 /nfs/dbraw/zinc/04/77/76/564047776.db2.gz HXCHPDHDJPYYED-UHFFFAOYSA-N 0 0 339.366 4.678 50 30 EJEARN N#Cc1ccccc1CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000015033920 564052860 /nfs/dbraw/zinc/05/28/60/564052860.db2.gz SEBVBMHBLSDEAM-OAQYLSRUSA-N 0 0 330.456 4.767 50 30 EJEARN N#Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000086012967 564053065 /nfs/dbraw/zinc/05/30/65/564053065.db2.gz GGFSOILXTNKWET-UHFFFAOYSA-N 0 0 340.382 4.919 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000254846259 564053706 /nfs/dbraw/zinc/05/37/06/564053706.db2.gz UWBICEKKOYXZRG-NDDOAYCYSA-N 0 0 342.479 4.594 50 30 EJEARN Cc1cc(/C=C\c2ccc(Br)cc2)c(C#N)c(=S)[nH]1 ZINC000006008510 564057583 /nfs/dbraw/zinc/05/75/83/564057583.db2.gz IYQXKJLXAYRQED-DJWKRKHSSA-N 0 0 331.238 4.857 50 30 EJEARN CC(=O)C1=CC[C@@H]2[C@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257357678 564055985 /nfs/dbraw/zinc/05/59/85/564055985.db2.gz PIPYBRMLUCOTFE-UASITTHNSA-N 0 0 328.496 4.826 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257359313 564055999 /nfs/dbraw/zinc/05/59/99/564055999.db2.gz ZNWOYQVXPIEQRC-AZSZXJIDSA-N 0 0 330.512 4.763 50 30 EJEARN C[C@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082077141 564056129 /nfs/dbraw/zinc/05/61/29/564056129.db2.gz RUHXGWLESZDFTQ-XJKSGUPXSA-N 0 0 342.405 4.672 50 30 EJEARN CCN(CC)c1ccc(/C=N/c2ccccc2Br)c(O)c1 ZINC000003218435 564058545 /nfs/dbraw/zinc/05/85/45/564058545.db2.gz RLSHNWICTIVFMA-XDHOZWIPSA-N 0 0 347.256 4.752 50 30 EJEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044085344 564059504 /nfs/dbraw/zinc/05/95/04/564059504.db2.gz RLGKYFMNWTUOIB-UHFFFAOYSA-N 0 0 337.404 4.726 50 30 EJEARN CN(C)c1ccc(/N=C2\Sc3cccc4cccc(c43)C2=O)cc1 ZINC000015356983 564061647 /nfs/dbraw/zinc/06/16/47/564061647.db2.gz SXFOKYPBZYZHCJ-MRCUWXFGSA-N 0 0 332.428 4.924 50 30 EJEARN C=CCc1c2c(ccc1OC(C)=O)n(-c1ccccc1)c(C)c2C(C)=O ZINC000075249608 564064119 /nfs/dbraw/zinc/06/41/19/564064119.db2.gz BMNNQGCOAIZJKL-UHFFFAOYSA-N 0 0 347.414 4.795 50 30 EJEARN N#Cc1cc(-c2ccccc2)nnc1Oc1cccc(C(F)(F)F)c1 ZINC000001390987 564064393 /nfs/dbraw/zinc/06/43/93/564064393.db2.gz SOMRVESARDMHGT-UHFFFAOYSA-N 0 0 341.292 4.826 50 30 EJEARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015599034 564069212 /nfs/dbraw/zinc/06/92/12/564069212.db2.gz GPKYJCOCACBNIG-UHFFFAOYSA-N 0 0 328.730 4.658 50 30 EJEARN C[C@H](C#N)CN(C)c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000084638233 564069304 /nfs/dbraw/zinc/06/93/04/564069304.db2.gz MRADSVNGEFCSLV-LLVKDONJSA-N 0 0 342.855 4.608 50 30 EJEARN C=C(C)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012975275 564073724 /nfs/dbraw/zinc/07/37/24/564073724.db2.gz LAFNOXHJBCBYRI-JTQLQIEISA-N 0 0 332.450 4.615 50 30 EJEARN N#Cc1ccc(-c2cccnc2)nc1SCc1ccccc1Cl ZINC000001476213 564073896 /nfs/dbraw/zinc/07/38/96/564073896.db2.gz CTGSJYQFDHCELB-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN C=CCn1c2ccccc2nc1NCc1ccc(N(CC)CC)cc1 ZINC000000205957 564074548 /nfs/dbraw/zinc/07/45/48/564074548.db2.gz KXVIXHRFXCBVHC-UHFFFAOYSA-N 0 0 334.467 4.681 50 30 EJEARN CCO[C@H](C)c1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 ZINC000086203169 564075329 /nfs/dbraw/zinc/07/53/29/564075329.db2.gz MXMNFKUBDLACFO-CYBMUJFWSA-N 0 0 345.468 4.512 50 30 EJEARN CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccccc2)n1 ZINC000015831978 564076063 /nfs/dbraw/zinc/07/60/63/564076063.db2.gz VBKWJENHCMEXBH-AWEZNQCLSA-N 0 0 346.459 4.910 50 30 EJEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccncc1 ZINC000034257072 564076102 /nfs/dbraw/zinc/07/61/02/564076102.db2.gz ZLPHYQNITPRJNB-RGVLZGJSSA-N 0 0 328.828 4.695 50 30 EJEARN Cc1cccc([C@H]2CCCN2c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000150933693 564077681 /nfs/dbraw/zinc/07/76/81/564077681.db2.gz OYSHWWATJCURNF-QGZVFWFLSA-N 0 0 331.341 4.622 50 30 EJEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1ccc(OC(F)F)cc1 ZINC000018066623 564085656 /nfs/dbraw/zinc/08/56/56/564085656.db2.gz SRNDAZYQRINDTH-LDADJPATSA-N 0 0 343.373 4.782 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000239432947 564088130 /nfs/dbraw/zinc/08/81/30/564088130.db2.gz WYOKDIKHIXWWOC-LFPDIOOPSA-N 0 0 328.496 4.826 50 30 biogenic EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000239432948 564088132 /nfs/dbraw/zinc/08/81/32/564088132.db2.gz WYOKDIKHIXWWOC-SOJYOXCPSA-N 0 0 328.496 4.826 50 30 biogenic EJEARN C[C@]12CC[C@@H]3c4ccc(OCCCC#N)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000252428545 564089391 /nfs/dbraw/zinc/08/93/91/564089391.db2.gz LFBNAHBTJGQSAO-DYQZNNLLSA-N 0 0 337.463 4.794 50 30 EJEARN COc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000064438779 564091278 /nfs/dbraw/zinc/09/12/78/564091278.db2.gz YNRHNCZKDLDNST-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)cc1)n2CC=C ZINC000006724776 564096457 /nfs/dbraw/zinc/09/64/57/564096457.db2.gz CJZBGWTZAZMEDX-UHFFFAOYSA-N 0 0 346.430 4.953 50 30 EJEARN CCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064859423 564097153 /nfs/dbraw/zinc/09/71/53/564097153.db2.gz BDQHAQLGRDSHKW-ZEVQVBBLSA-N 0 0 337.504 4.675 50 30 in-vitro EJEARN Cc1ccc(/C=N/c2sccc2C(=O)NC2CCCCC2)cc1 ZINC000006788062 564097790 /nfs/dbraw/zinc/09/77/90/564097790.db2.gz NKBGZRWLNWOXAF-DEDYPNTBSA-N 0 0 326.465 4.870 50 30 EJEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000007017119 564103196 /nfs/dbraw/zinc/10/31/96/564103196.db2.gz VWQAUXGYSPCPSA-MEBBXXQBSA-N 0 0 345.295 4.528 50 30 EJEARN CC(C)c1nc(C#N)c(NCc2ccc(-c3ccc(F)cc3)o2)o1 ZINC000526052311 564108657 /nfs/dbraw/zinc/10/86/57/564108657.db2.gz XEGBPZUAUKMBKP-UHFFFAOYSA-N 0 0 325.343 4.681 50 30 EJEARN CCN(CC)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000252460620 564118643 /nfs/dbraw/zinc/11/86/43/564118643.db2.gz GWIKSNVVBOGXPY-UHFFFAOYSA-N 0 0 331.803 4.845 50 30 EJEARN N#C[C@@H]1CCC[C@H](Nc2cccc(CSC3CCOCC3)c2)C1 ZINC000252484691 564119292 /nfs/dbraw/zinc/11/92/92/564119292.db2.gz GERIGUURLPMMHN-WBVHZDCISA-N 0 0 330.497 4.593 50 30 EJEARN N#CC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000170658135 564120938 /nfs/dbraw/zinc/12/09/38/564120938.db2.gz MPYHBLWBLJWCSB-ZDUSSCGKSA-N 0 0 335.285 4.680 50 30 EJEARN Cc1ccc(N=C2CCCN2C(=O)c2ccc(F)cc2)cc1Cl ZINC000252601900 564121179 /nfs/dbraw/zinc/12/11/79/564121179.db2.gz FDOIYMRNNIWNBP-UHFFFAOYSA-N 0 0 330.790 4.754 50 30 EJEARN Cc1cccc(-c2nc3cc(N=Cc4ccc(O)cc4O)ccc3o2)c1 ZINC000252619858 564122329 /nfs/dbraw/zinc/12/23/29/564122329.db2.gz LTGPHDIQXWYAHN-UHFFFAOYSA-N 0 0 344.370 4.965 50 30 EJEARN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3cc3ccccc32)nc1 ZINC000252621542 564122827 /nfs/dbraw/zinc/12/28/27/564122827.db2.gz NAZWXVWMNBPKEN-UHFFFAOYSA-N 0 0 342.358 4.742 50 30 EJEARN CCOc1ccc(C=Nc2ccc(Cl)c3cccnc23)c(O)c1 ZINC000252621778 564122898 /nfs/dbraw/zinc/12/28/98/564122898.db2.gz NGQKHJSJOWEZPJ-UHFFFAOYSA-N 0 0 326.783 4.743 50 30 EJEARN Cc1ccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000252622190 564122907 /nfs/dbraw/zinc/12/29/07/564122907.db2.gz NQNOUNZRISKNFT-AJNDAPIGSA-N 0 0 347.443 4.710 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2C#N ZINC000252693829 564124965 /nfs/dbraw/zinc/12/49/65/564124965.db2.gz FUZCPLHZMKOTCW-UFOPBENGSA-N 0 0 341.495 4.832 50 30 biogenic EJEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1)C3=O ZINC000253403882 564130623 /nfs/dbraw/zinc/13/06/23/564130623.db2.gz HNONUYPNKZFFGS-GZQZNAIASA-N 0 0 348.398 4.742 50 30 biogenic EJEARN N#Cc1c2nc3ccccc3n2c(Nc2ccccc2)c2c1CCCC2 ZINC000000083461 564132774 /nfs/dbraw/zinc/13/27/74/564132774.db2.gz MAWNMDSAHSUPFA-UHFFFAOYSA-N 0 0 338.414 4.982 50 30 EJEARN COc1nc2c(c(-c3ccc(SC)cc3)c1C#N)Cc1ccccc1-2 ZINC000000103137 564132846 /nfs/dbraw/zinc/13/28/46/564132846.db2.gz CMFINHAFHLAEPH-UHFFFAOYSA-N 0 0 344.439 4.922 50 30 EJEARN N#Cc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000000151589 564132931 /nfs/dbraw/zinc/13/29/31/564132931.db2.gz SDDJKSRAMHOQEL-UHFFFAOYSA-N 0 0 343.386 4.781 50 30 EJEARN N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2 ZINC000000514024 564133352 /nfs/dbraw/zinc/13/33/52/564133352.db2.gz PJRHZQCSPNPRJT-UHFFFAOYSA-N 0 0 337.231 4.668 50 30 EJEARN COc1ccc(/C=C2\CCC/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000000059748 564134125 /nfs/dbraw/zinc/13/41/25/564134125.db2.gz ZYMUNTZVOUBQAI-KPNKYRRCSA-N 0 0 334.415 4.924 50 30 biogenic EJEARN O=C1O[C@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc21 ZINC000390834847 564138969 /nfs/dbraw/zinc/13/89/69/564138969.db2.gz HZWYPNBWFSCAAH-SSXUBFHHSA-N 0 0 342.398 4.805 50 30 EJEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1N1CCCCC1 ZINC000020458574 564140384 /nfs/dbraw/zinc/14/03/84/564140384.db2.gz KGBXGQJLQZFTGA-UHFFFAOYSA-N 0 0 337.370 4.691 50 30 EJEARN CCOc1cccc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000096133963 564145764 /nfs/dbraw/zinc/14/57/64/564145764.db2.gz ZOIDJUSVRJFREJ-YPKPFQOOSA-N 0 0 346.430 4.784 50 30 EJEARN N#Cc1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 ZINC000096184086 564145890 /nfs/dbraw/zinc/14/58/90/564145890.db2.gz LTGBPNDCFPTOPS-UHFFFAOYSA-N 0 0 343.338 4.707 50 30 EJEARN CCOc1ccc(Nc2oc([C@H]3C[C@@H]3c3ccccc3)nc2C#N)cc1 ZINC000096346052 564146855 /nfs/dbraw/zinc/14/68/55/564146855.db2.gz DBHIOJJMYGKNKW-MSOLQXFVSA-N 0 0 345.402 4.960 50 30 EJEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(C#N)CCC2)cc1Cl ZINC000096411996 564147619 /nfs/dbraw/zinc/14/76/19/564147619.db2.gz CFLKKWRARCTPLT-QGZVFWFLSA-N 0 0 349.821 4.628 50 30 EJEARN CC(C)[C@@](C)(C#N)NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000096997141 564149069 /nfs/dbraw/zinc/14/90/69/564149069.db2.gz QVDSKZMXOCHSME-HXUWFJFHSA-N 0 0 349.459 4.631 50 30 EJEARN CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000002748031 564152400 /nfs/dbraw/zinc/15/24/00/564152400.db2.gz SEIGAFFUOCLZPJ-CABCVRRESA-N 0 0 334.345 4.538 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)s3)sc2C1 ZINC000003306446 564157215 /nfs/dbraw/zinc/15/72/15/564157215.db2.gz IXYBXBGHUYGHCV-MRVPVSSYSA-N 0 0 336.869 4.712 50 30 EJEARN COc1ccc2c(c1)C(=NNc1cccc(C)c1)c1cc(OC)ccc1-2 ZINC000003909561 564159698 /nfs/dbraw/zinc/15/96/98/564159698.db2.gz BWNBJRPIBFUYPJ-UHFFFAOYSA-N 0 0 344.414 4.857 50 30 EJEARN N#Cc1nc(/C=C/c2ccccc2)oc1NCc1ccccc1Cl ZINC000004186469 564161011 /nfs/dbraw/zinc/16/10/11/564161011.db2.gz DFXTVGDDIJIZGV-ZHACJKMWSA-N 0 0 335.794 4.982 50 30 EJEARN Cc1cccc(-n2c(SCc3cccc(C#N)c3)nnc2C2CC2)c1 ZINC000004186270 564161074 /nfs/dbraw/zinc/16/10/74/564161074.db2.gz JXLIEEOIBZGSCJ-UHFFFAOYSA-N 0 0 346.459 4.617 50 30 EJEARN Cc1cccc(-n2c(SCc3ccc(C#N)cc3)nnc2C(C)C)c1 ZINC000004187012 564161095 /nfs/dbraw/zinc/16/10/95/564161095.db2.gz BVGVHTUFMDDQOZ-UHFFFAOYSA-N 0 0 348.475 4.863 50 30 EJEARN Cc1cccc(Oc2ccccc2NC(=O)c2cccc(C#N)c2)c1 ZINC000007974345 564161535 /nfs/dbraw/zinc/16/15/35/564161535.db2.gz TWLYDSJHAZRKSO-UHFFFAOYSA-N 0 0 328.371 4.911 50 30 EJEARN N#Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)cc1 ZINC000008036723 564162302 /nfs/dbraw/zinc/16/23/02/564162302.db2.gz RJKSVXPDWWIALA-UHFFFAOYSA-N 0 0 346.455 4.505 50 30 EJEARN CCOc1ccc(/C=C/c2nc(C#N)c(NC3CCCCC3)o2)cc1 ZINC000008323874 564164401 /nfs/dbraw/zinc/16/44/01/564164401.db2.gz YTIASJWLCVQVRI-JLHYYAGUSA-N 0 0 337.423 4.860 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000051318877 214089053 /nfs/dbraw/zinc/08/90/53/214089053.db2.gz ZLUCWYSSPGYTHK-VAWYXSNFSA-N 0 0 335.325 4.913 50 30 EJEARN COc1ccc(/C=C2\CCC/C(=C\c3ccccc3)C2=O)cc1OC ZINC000051330011 214089153 /nfs/dbraw/zinc/08/91/53/214089153.db2.gz AFSHIUGRSNDOPY-JIBZRZDWSA-N 0 0 334.415 4.924 50 30 EJEARN O=C1c2ccccc2C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000051367089 214091517 /nfs/dbraw/zinc/09/15/17/214091517.db2.gz XARFSZAXZZBZLJ-NRFANRHFSA-N 0 0 349.393 4.659 50 30 EJEARN CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCCC2 ZINC000004702537 210254016 /nfs/dbraw/zinc/25/40/16/210254016.db2.gz ZUOXRICMDUIPNT-RGVLZGJSSA-N 0 0 343.448 4.568 50 30 EJEARN CCCCCCCCCCCC1N=NC(=S)N1C[C@@H]1CCCO1 ZINC000097941858 219062702 /nfs/dbraw/zinc/06/27/02/219062702.db2.gz PBOHETZHRDKLRK-INIZCTEOSA-N 0 0 339.549 4.819 50 30 EJEARN Cc1ccccc1[C@H]1[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N ZINC000004652931 210238254 /nfs/dbraw/zinc/23/82/54/210238254.db2.gz UBBBGSCFVIIMPQ-HXUUKTIPSA-N 0 0 344.458 4.527 50 30 EJEARN c1ccc(C(=NN=c2[nH]c3ccccc3s2)c2ccccn2)cc1 ZINC000004587166 210227175 /nfs/dbraw/zinc/22/71/75/210227175.db2.gz YAMFSZLGGBDHDG-RELWKKBWSA-N 0 0 330.416 4.556 50 30 in-vitro EJEARN CC1=C/C(=N\OC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000004567314 210223657 /nfs/dbraw/zinc/22/36/57/210223657.db2.gz DKDNJLJBXFPMLI-LDADJPATSA-N 0 0 336.229 4.728 50 30 EJEARN CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000004537788 210216694 /nfs/dbraw/zinc/21/66/94/210216694.db2.gz LFDIPETXTFNWHY-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004517406 210211576 /nfs/dbraw/zinc/21/15/76/210211576.db2.gz PKLSXGDTFZYOLC-UHFFFAOYSA-N 0 0 342.489 4.863 50 30 EJEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccc(F)cc2)c1-c1ccccc1 ZINC000100277466 219095902 /nfs/dbraw/zinc/09/59/02/219095902.db2.gz ZTDYFUXCTUZVGI-WSDLNYQXSA-N 0 0 336.366 4.666 50 30 EJEARN O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1 ZINC000100486201 219100582 /nfs/dbraw/zinc/10/05/82/219100582.db2.gz SNCIFQNCYLDKFM-CYVLTUHYSA-N 0 0 340.382 4.544 50 30 EJEARN CN(/N=C/c1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F ZINC000004389849 210186499 /nfs/dbraw/zinc/18/64/99/210186499.db2.gz YCLLLNVPCHMXIH-QPSGOUHRSA-N 0 0 348.155 4.878 50 30 EJEARN CN(/N=C/c1ccc(Cl)cc1)c1ncc(Cl)cc1C(F)(F)F ZINC000004389852 210185969 /nfs/dbraw/zinc/18/59/69/210185969.db2.gz ORYWYMFUVGPWDW-QPSGOUHRSA-N 0 0 348.155 4.878 50 30 EJEARN CC(C)(C)c1csc(-c2ccc(CN=Nc3ccccn3)cc2)n1 ZINC000004347530 210177889 /nfs/dbraw/zinc/17/78/89/210177889.db2.gz BNMDCHZPXLXNEG-CIAFOILYSA-N 0 0 336.464 4.949 50 30 EJEARN Clc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000004334670 210173167 /nfs/dbraw/zinc/17/31/67/210173167.db2.gz WICKRUDMALOVRW-ZVBGSRNCSA-N 0 0 342.855 4.670 50 30 EJEARN COc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1OC ZINC000004320770 210170265 /nfs/dbraw/zinc/17/02/65/210170265.db2.gz NLTQXVMDMGNDIZ-QPJJXVBHSA-N 0 0 340.350 4.794 50 30 biogenic EJEARN C=CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC000004209128 210145075 /nfs/dbraw/zinc/14/50/75/210145075.db2.gz ANHVNOKCEISVFT-UHFFFAOYSA-N 0 0 337.448 4.529 50 30 EJEARN FC(F)(F)c1ccc(NN=Cc2c(Cl)cccc2Cl)nc1 ZINC000004181655 210141195 /nfs/dbraw/zinc/14/11/95/210141195.db2.gz JTEVBLZLUBWTIG-IFRROFPPSA-N 0 0 334.128 4.853 50 30 EJEARN CCCCCCCCC[C@@H](O)CCCCCCCC(=O)OCCO ZINC000101683466 219155522 /nfs/dbraw/zinc/15/55/22/219155522.db2.gz VPXCRGSFNXYSBO-LJQANCHMSA-N 0 0 344.536 4.754 50 30 EJEARN C=CCc1ccccc1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004131923 210128158 /nfs/dbraw/zinc/12/81/58/210128158.db2.gz IVOAPOQXYQRGDG-QHCPKHFHSA-N 0 0 342.394 4.866 50 30 EJEARN CCN1C(=O)/C(=C\c2sccc2C)S/C1=N/c1ccc(F)cc1 ZINC000101772219 219163690 /nfs/dbraw/zinc/16/36/90/219163690.db2.gz CRYXSIJFPBUJHR-RDNNIZOPSA-N 0 0 346.452 4.820 50 30 EJEARN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000004031685 210104613 /nfs/dbraw/zinc/10/46/13/210104613.db2.gz BSDICJRRLOBTBP-UHFFFAOYSA-N 0 0 348.427 4.523 50 30 EJEARN Cc1cc(N[C@H](C#N)c2ccc(-n3ccnc3)cc2)ccc1C(C)C ZINC000004025509 210101439 /nfs/dbraw/zinc/10/14/39/210101439.db2.gz DACJNVAUUQQERU-OAQYLSRUSA-N 0 0 330.435 4.981 50 30 EJEARN CC(=Cc1cccc(Cl)c1Cl)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000003998359 210097742 /nfs/dbraw/zinc/09/77/42/210097742.db2.gz HNCIRQITIAECON-CSKARUKUSA-N 0 0 336.218 4.585 50 30 EJEARN COc1cccc(/C=N/c2sc3c(c2C#N)CCCCC3)c1OC ZINC000102229283 219191349 /nfs/dbraw/zinc/19/13/49/219191349.db2.gz DGEJZCNCKHCCST-CIAFOILYSA-N 0 0 340.448 4.656 50 30 EJEARN Cc1ccc(-c2nnc(S[C@@H](C)C#N)nc2-c2ccc(C)cc2)cc1 ZINC000003343461 210013547 /nfs/dbraw/zinc/01/35/47/210013547.db2.gz XBAMTYYBMPQWCA-HNNXBMFYSA-N 0 0 346.459 4.827 50 30 EJEARN N#Cc1ccc(COC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003338143 210011570 /nfs/dbraw/zinc/01/15/70/210011570.db2.gz QXNPUTBWTBIHCO-UHFFFAOYSA-N 0 0 327.792 4.783 50 30 EJEARN N#Cc1cccc(NC(=S)Nc2ccc(SC(F)F)cc2)c1 ZINC000003334739 210010613 /nfs/dbraw/zinc/01/06/13/210010613.db2.gz GHETUKIXPCSTAF-UHFFFAOYSA-N 0 0 335.404 4.682 50 30 EJEARN C=CCOc1ccc([C@@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000102940124 219242740 /nfs/dbraw/zinc/24/27/40/219242740.db2.gz HCTSNRAHSVKAGC-RBBKRZOGSA-N 0 0 332.447 4.595 50 30 EJEARN CCCCC(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000102975555 219244870 /nfs/dbraw/zinc/24/48/70/219244870.db2.gz HPKJXIBDZUYNRE-ZDUSSCGKSA-N 0 0 348.483 4.568 50 30 EJEARN O=C(C=CNc1ccc(Br)c(Cl)c1)c1cccs1 ZINC000002856143 209928018 /nfs/dbraw/zinc/92/80/18/209928018.db2.gz MJYMWLKXCBLICT-AATRIKPKSA-N 0 0 342.645 4.973 50 30 EJEARN N#Cc1ccnc(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)c1 ZINC000067886283 215242311 /nfs/dbraw/zinc/24/23/11/215242311.db2.gz IEPVCMKOBIMOTH-UHFFFAOYSA-N 0 0 348.233 4.648 50 30 EJEARN C#CCOc1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1 ZINC000033271200 212914401 /nfs/dbraw/zinc/91/44/01/212914401.db2.gz TZQQFOFTKZFANR-BWAGFHJFSA-N 0 0 333.431 4.560 50 30 EJEARN CCOc1nc(-c2cccc(OC)c2)cc(-c2ccccc2)c1C#N ZINC000000401065 209570086 /nfs/dbraw/zinc/57/00/86/209570086.db2.gz APWXRSSYCMTHDK-UHFFFAOYSA-N 0 0 330.387 4.695 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Cl)c3)C12 ZINC000000222681 209494390 /nfs/dbraw/zinc/49/43/90/209494390.db2.gz JPPVLLNZJXLHGA-IBGZPJMESA-N 0 0 349.821 4.712 50 30 EJEARN N#Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)s2)cc1 ZINC000000130554 209439474 /nfs/dbraw/zinc/43/94/74/209439474.db2.gz VQNGMMSNXGQYDQ-UHFFFAOYSA-N 0 0 333.416 4.608 50 30 EJEARN CCn1c2ccccc2c2cc(/C=N/c3cccc(C(N)=O)c3)ccc21 ZINC000000046006 209387881 /nfs/dbraw/zinc/38/78/81/209387881.db2.gz HGEZHKIWYZAHKD-ZVHZXABRSA-N 0 0 341.414 4.664 50 30 EJEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 ZINC000005176305 201362138 /nfs/dbraw/zinc/36/21/38/201362138.db2.gz XFUHMJBMQIPPCB-MTJSOVHGSA-N 0 0 343.382 4.585 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O ZINC000009481671 201363730 /nfs/dbraw/zinc/36/37/30/201363730.db2.gz ILHQHCRJXQXPCX-JAIQZWGSSA-N 0 0 336.387 4.656 50 30 biogenic EJEARN Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)/C=C/N(C)C ZINC000043798964 202516337 /nfs/dbraw/zinc/51/63/37/202516337.db2.gz UMTYDYDZWSVIJE-BQYQJAHWSA-N 0 0 341.263 4.683 50 30 EJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1 ZINC000000133301 201439396 /nfs/dbraw/zinc/43/93/96/201439396.db2.gz SILUSGJNEZFCDK-CFRMROPGSA-N 0 0 336.460 4.787 50 30 EJEARN N#CCSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 ZINC000022222625 212282867 /nfs/dbraw/zinc/28/28/67/212282867.db2.gz BSBIYCBHAKKROF-UHFFFAOYSA-N 0 0 325.824 4.808 50 30 EJEARN CCc1c(C)sc(NC(=O)c2ccc(OCC(C)C)cc2)c1C#N ZINC000000442801 201473466 /nfs/dbraw/zinc/47/34/66/201473466.db2.gz JDSMQAFMLMEBHZ-UHFFFAOYSA-N 0 0 342.464 4.778 50 30 EJEARN Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)c1ccc(F)cc1 ZINC000000495450 201480015 /nfs/dbraw/zinc/48/00/15/201480015.db2.gz NSRWFEUAACDLIG-MPHHAOFMSA-N 0 0 342.439 4.708 50 30 EJEARN O/N=C/Nc1ccccc1Sc1nc2cc(Cl)ccc2s1 ZINC000002147637 201525014 /nfs/dbraw/zinc/52/50/14/201525014.db2.gz MQYASOCBKKQXJX-UHFFFAOYSA-N 0 0 335.841 4.930 50 30 EJEARN CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N ZINC000003104715 201556755 /nfs/dbraw/zinc/55/67/55/201556755.db2.gz SHLBHYDTNLUZGJ-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc(OC)c(Cl)c1 ZINC000064438701 202813139 /nfs/dbraw/zinc/81/31/39/202813139.db2.gz YIDQMTIGQFIKDZ-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN N#CCCSc1ccccc1NC(=O)c1ccccc1OC(F)F ZINC000069571537 203021130 /nfs/dbraw/zinc/02/11/30/203021130.db2.gz OXMRIISRZOYAQZ-UHFFFAOYSA-N 0 0 348.374 4.546 50 30 EJEARN CCN1C/C(=C\c2ccccc2C)C(=O)/C(=C/c2ccccc2C)C1 ZINC000020470054 212135041 /nfs/dbraw/zinc/13/50/41/212135041.db2.gz NUVNZDFXVCESAL-JFMUQQRKSA-N 0 0 331.459 4.675 50 30 EJEARN N#Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)c1 ZINC000019813049 212071331 /nfs/dbraw/zinc/07/13/31/212071331.db2.gz SPJUGQNCOLDQOD-UHFFFAOYSA-N 0 0 336.398 4.532 50 30 EJEARN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N/c1ccccc1 ZINC000100299452 203992934 /nfs/dbraw/zinc/99/29/34/203992934.db2.gz GLZWWWRACRQACE-MGZTUGRWSA-N 0 0 334.444 4.867 50 30 EJEARN Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000016737524 211932586 /nfs/dbraw/zinc/93/25/86/211932586.db2.gz FUTHYBOCGFDGCS-GIJQJNRQSA-N 0 0 329.812 4.615 50 30 EJEARN COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC#N ZINC000015349096 211817498 /nfs/dbraw/zinc/81/74/98/211817498.db2.gz OTTSMLAVCZYQJA-QPJJXVBHSA-N 0 0 330.387 4.625 50 30 EJEARN C#CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018109 211789398 /nfs/dbraw/zinc/78/93/98/211789398.db2.gz ZCSVJYWBZRLXFL-NYVOZVTQSA-N 0 0 333.431 4.642 50 30 EJEARN Cc1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O ZINC000015011795 211787885 /nfs/dbraw/zinc/78/78/85/211787885.db2.gz GCGPFXLXWXEZCE-XNTDXEJSSA-N 0 0 328.824 4.540 50 30 EJEARN CSC1=N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)S1 ZINC000004755471 206495127 /nfs/dbraw/zinc/49/51/27/206495127.db2.gz LRUXOUBDRGDOLY-WJDWOHSUSA-N 0 0 341.457 4.599 50 30 EJEARN Cc1sc2nc(SCCCC#N)n(C3CCCC3)c(=O)c2c1C ZINC000012872277 211473587 /nfs/dbraw/zinc/47/35/87/211473587.db2.gz LQANCPVODSGXJL-UHFFFAOYSA-N 0 0 347.509 4.586 50 30 EJEARN CCC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 ZINC000012860287 211471212 /nfs/dbraw/zinc/47/12/12/211471212.db2.gz FMVOBCQQXATOIP-SFHVURJKSA-N 0 0 347.418 4.522 50 30 EJEARN CCc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 ZINC000012466059 211390723 /nfs/dbraw/zinc/39/07/23/211390723.db2.gz JFQMFQZKSTXVSI-WJCPARMISA-N 0 0 340.423 4.622 50 30 EJEARN C=CCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2C)c1 ZINC000012138052 211302048 /nfs/dbraw/zinc/30/20/48/211302048.db2.gz BHUNNNXFXKRFGR-UHFFFAOYSA-N 0 0 345.826 4.539 50 30 EJEARN CN(/N=C/c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000091695051 218049937 /nfs/dbraw/zinc/04/99/37/218049937.db2.gz LUMUREOGGGWCGX-DNTJNYDQSA-N 0 0 348.155 4.878 50 30 EJEARN CCOc1cccc2cc(C(=O)Nc3sc(C)c(C)c3C#N)oc21 ZINC000009133824 211042460 /nfs/dbraw/zinc/04/24/60/211042460.db2.gz WDKAISYXYAVWAV-UHFFFAOYSA-N 0 0 340.404 4.634 50 30 EJEARN Cc1ccc(Cl)cc1NC1=NC(=S)N(C(C)C)C12CCCCC2 ZINC000008829105 211009350 /nfs/dbraw/zinc/00/93/50/211009350.db2.gz CDHQNSBDJPCPLW-UHFFFAOYSA-N 0 0 349.931 4.980 50 30 EJEARN CC(C)c1ccc(CN=Nc2nc(-c3cccc(O)c3)cs2)cc1 ZINC000008236165 210917660 /nfs/dbraw/zinc/91/76/60/210917660.db2.gz PARZWFPQAGLMPU-RGVLZGJSSA-N 0 0 337.448 4.507 50 30 EJEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 ZINC000007743995 210841335 /nfs/dbraw/zinc/84/13/35/210841335.db2.gz XPUZOPPTDMBUKF-CMDGGOBGSA-N 0 0 333.309 4.560 50 30 EJEARN Cc1ccc(C)c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000006949144 210749191 /nfs/dbraw/zinc/74/91/91/210749191.db2.gz PURFOTQPCMMPGP-UHFFFAOYSA-N 0 0 330.840 4.559 50 30 EJEARN CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC ZINC000012864040 207253224 /nfs/dbraw/zinc/25/32/24/207253224.db2.gz CKJGSRLOXPUWRF-RUDMXATFSA-N 0 0 334.774 4.783 50 30 EJEARN N#Cc1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000005781965 210534844 /nfs/dbraw/zinc/53/48/44/210534844.db2.gz QRDXSFPJVPLGLX-UHFFFAOYSA-N 0 0 339.822 4.767 50 30 EJEARN Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000005697355 210519260 /nfs/dbraw/zinc/51/92/60/210519260.db2.gz JFIJCJBOZUOJBF-VQHVLOKHSA-N 0 0 349.411 4.743 50 30 EJEARN C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1C)c1ccccc1 ZINC000005242430 210421813 /nfs/dbraw/zinc/42/18/13/210421813.db2.gz FPTMWOUXBDFJPP-NQUFBGNASA-N 0 0 341.867 4.732 50 30 EJEARN COc1ccc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000005128217 210396619 /nfs/dbraw/zinc/39/66/19/210396619.db2.gz RPMQLXZYSGCAQF-QDEBKDIKSA-N 0 0 333.343 4.653 50 30 EJEARN C#CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC ZINC000005051078 210376252 /nfs/dbraw/zinc/37/62/52/210376252.db2.gz MPRVROLHOXRSGL-UHFFFAOYSA-N 0 0 336.218 4.626 50 30 EJEARN Cc1nc(-c2ccccc2)nc(N=NCc2cccc(Cl)c2)c1C ZINC000004947145 210335850 /nfs/dbraw/zinc/33/58/50/210335850.db2.gz SIZAZBYFXOKHQX-CIAFOILYSA-N 0 0 336.826 4.860 50 30 EJEARN O=C(/C=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)cc1 ZINC000004851638 210301155 /nfs/dbraw/zinc/30/11/55/210301155.db2.gz YKEBZPOIBZBTTI-XCVCLJGOSA-N 0 0 330.836 4.730 50 30 EJEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(OC(F)F)cc1 ZINC000004834231 210292082 /nfs/dbraw/zinc/29/20/82/210292082.db2.gz SECCOERTNNXBLL-JXMROGBWSA-N 0 0 340.272 4.786 50 30 EJEARN CN(Cc1csc2ccccc12)C(=O)Nc1ccc(F)cc1C#N ZINC000097472874 219027196 /nfs/dbraw/zinc/02/71/96/219027196.db2.gz SVPXFWSIUXLKQP-UHFFFAOYSA-N 0 0 339.395 4.576 50 30 EJEARN Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1 ZINC000004784638 210277693 /nfs/dbraw/zinc/27/76/93/210277693.db2.gz HBBBOKGZOSQNAT-UHFFFAOYSA-N 0 0 345.427 4.844 50 30 EJEARN CC(=O)Oc1ccc(C(=O)C=C(c2ccccc2)c2ccccc2)cc1 ZINC000004776725 210276093 /nfs/dbraw/zinc/27/60/93/210276093.db2.gz ZCNSOGMSTCPZQB-UHFFFAOYSA-N 0 0 342.394 4.927 50 30 EJEARN Oc1ccc2cccc(/C=N\N=C\c3c(O)ccc4ccccc43)c2c1 ZINC000004760448 210271954 /nfs/dbraw/zinc/27/19/54/210271954.db2.gz BHDQMRQBJXZNAO-NQGGHMMCSA-N 0 0 340.382 4.857 50 30 EJEARN COc1ccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)cc1 ZINC000032714624 257835846 /nfs/dbraw/zinc/83/58/46/257835846.db2.gz ZYYWEBGPRFGCRD-LGMDPLHJSA-N 0 0 345.354 4.853 50 30 EJEARN C=CCN(C(=O)/C=C\c1nc2ccccc2o1)[C@H]1CCc2ccccc21 ZINC000097146684 257837138 /nfs/dbraw/zinc/83/71/38/257837138.db2.gz OOQSRHWZLMFPKI-QQBSYFJQSA-N 0 0 344.414 4.543 50 30 EJEARN COc1ccc(CC2CCC(=NOC(=O)C3CCCCC3)CC2)cc1 ZINC000000135465 258047745 /nfs/dbraw/zinc/04/77/45/258047745.db2.gz QBOOSWWAGVCMMU-UHFFFAOYSA-N 0 0 343.467 4.907 50 30 EJEARN Cc1nsc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c1C#N ZINC000328598510 258041746 /nfs/dbraw/zinc/04/17/46/258041746.db2.gz MJTBDSLESZGYHQ-CYBMUJFWSA-N 0 0 343.452 4.811 50 30 EJEARN CSc1cc(Br)ccc1/C=C/c1cc(C#N)ccn1 ZINC000328593189 258043610 /nfs/dbraw/zinc/04/36/10/258043610.db2.gz UPFRTSFZWHVPIU-HWKANZROSA-N 0 0 331.238 4.608 50 30 EJEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1 ZINC000002448523 258016497 /nfs/dbraw/zinc/01/64/97/258016497.db2.gz DQEVXWFXHPOXFG-FMIVXFBMSA-N 0 0 333.460 4.937 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccccc1-c1ccccc1 ZINC000000163586 258017152 /nfs/dbraw/zinc/01/71/52/258017152.db2.gz OFSPLVTZEAJBQD-AWEZNQCLSA-N 0 0 337.448 4.934 50 30 EJEARN COc1ccc(-c2nc(-c3ccc(C)cc3)nc(Cl)c2C#N)cc1 ZINC000001385865 258049038 /nfs/dbraw/zinc/04/90/38/258049038.db2.gz DWOJMWAYTPBEPE-UHFFFAOYSA-N 0 0 335.794 4.653 50 30 EJEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(C3CCCCC3)o2)cc1 ZINC000006606979 258052186 /nfs/dbraw/zinc/05/21/86/258052186.db2.gz BPIRKPYRNILOLF-INIZCTEOSA-N 0 0 327.453 4.653 50 30 EJEARN N#C[C@]12CCCC[C@@H]1C[C@@H]1CCCC[C@]1(C#N)N2c1ccccc1O ZINC000013509635 258056128 /nfs/dbraw/zinc/05/61/28/258056128.db2.gz NYPAPXFYOSDURV-HRQSHJORSA-N 0 0 335.451 4.507 50 30 EJEARN N#Cc1nc(-c2ccccc2)oc1N(Cc1ccco1)Cc1ccco1 ZINC000170623735 258071556 /nfs/dbraw/zinc/07/15/56/258071556.db2.gz NCYGORXPNZERDP-UHFFFAOYSA-N 0 0 345.358 4.606 50 30 EJEARN C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257345626 258073421 /nfs/dbraw/zinc/07/34/21/258073421.db2.gz DFRQHISHXQPKMU-ZCPXKWAGSA-N 0 0 328.496 4.826 50 30 EJEARN CC(=O)c1ccc(N=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000000059621 518300362 /nfs/dbraw/zinc/30/03/62/518300362.db2.gz PLWYFIOOJNFHKW-HZHRSRAPSA-N 0 0 343.382 4.859 50 30 EJEARN CC(N=Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1 ZINC000043761240 518462052 /nfs/dbraw/zinc/46/20/52/518462052.db2.gz YGYBRGILSNUASB-HYARGMPZSA-N 0 0 333.460 4.557 50 30 EJEARN C=C(C)CN(C)C(=O)C[C@H](c1cccc(Cl)c1)c1ccccc1O ZINC000012432307 518589951 /nfs/dbraw/zinc/58/99/51/518589951.db2.gz KGQBJLHEZCYAST-GOSISDBHSA-N 0 0 343.854 4.602 50 30 EJEARN C=CCSC1=N/C(=C\c2ccccc2OCCCC)C(=O)S1 ZINC000003000624 519076253 /nfs/dbraw/zinc/07/62/53/519076253.db2.gz USKYVICWDUOBDM-OWBHPGMISA-N 0 0 333.478 4.755 50 30 EJEARN C=CCc1ccc(OCCCOc2cccc(Cl)c2)c(OC)c1 ZINC000002991282 519136966 /nfs/dbraw/zinc/13/69/66/519136966.db2.gz YNDIGKHFMWJAEL-UHFFFAOYSA-N 0 0 332.827 4.925 50 30 EJEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000000612746 519240867 /nfs/dbraw/zinc/24/08/67/519240867.db2.gz RBDNJOADCWISOI-UHFFFAOYSA-N 0 0 325.412 4.563 50 30 EJEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1cccc(C)c1 ZINC000004355042 519241550 /nfs/dbraw/zinc/24/15/50/519241550.db2.gz SRIWLBSQZUOMEU-UHFFFAOYSA-N 0 0 346.459 4.604 50 30 EJEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1cccc(C)c1 ZINC000004357294 519244017 /nfs/dbraw/zinc/24/40/17/519244017.db2.gz RYCNETVDTYIVIC-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064857746 519990915 /nfs/dbraw/zinc/99/09/15/519990915.db2.gz QJIXVOQAEZMUIH-SFHVURJKSA-N 0 0 339.520 4.899 50 30 in-vitro EJEARN CCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000038145489 520061216 /nfs/dbraw/zinc/06/12/16/520061216.db2.gz HPCWHMNQJOAAJN-UHFFFAOYSA-N 0 0 339.650 4.751 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000016407388 520620612 /nfs/dbraw/zinc/62/06/12/520620612.db2.gz HCZLZDDFSKMKCZ-SOFGYWHQSA-N 0 0 336.309 4.706 50 30 EJEARN CCOc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000033466890 520637998 /nfs/dbraw/zinc/63/79/98/520637998.db2.gz KSQFKTRNDPYWSL-CLTKARDFSA-N 0 0 337.202 4.994 50 30 EJEARN CCC(CC)CN(CCC#N)C(=O)c1cc(Cl)sc1Cl ZINC000075583900 521523445 /nfs/dbraw/zinc/52/34/45/521523445.db2.gz YHCSTYXGACFHAJ-UHFFFAOYSA-N 0 0 333.284 4.847 50 30 EJEARN CO/N=C(\CSCc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000005720495 522737300 /nfs/dbraw/zinc/73/73/00/522737300.db2.gz IKHNVGKUPKEKLD-HTXNQAPBSA-N 0 0 335.856 4.633 50 30 EJEARN COc1ccc(/C=C/C(=O)C2CC2)cc1COc1c(C)cccc1C ZINC000000193607 523381841 /nfs/dbraw/zinc/38/18/41/523381841.db2.gz FWHFFPAQCAIXPP-YRNVUSSQSA-N 0 0 336.431 4.883 50 30 EJEARN COc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1OC ZINC000004799404 523437554 /nfs/dbraw/zinc/43/75/54/523437554.db2.gz DXGWVIIWQWGZFY-XQNSMLJCSA-N 0 0 346.430 4.745 50 30 EJEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000033332602 523459099 /nfs/dbraw/zinc/45/90/99/523459099.db2.gz AALRMFYQWJBGLW-GRSHGNNSSA-N 0 0 343.839 4.918 50 30 EJEARN Cc1cccc(NN=C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000004175503 524529684 /nfs/dbraw/zinc/52/96/84/524529684.db2.gz XITGAKGGRXGMFG-QJOMJCCJSA-N 0 0 332.432 4.767 50 30 EJEARN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccco2)cc1 ZINC000000608544 524696931 /nfs/dbraw/zinc/69/69/31/524696931.db2.gz JCPLZANOSXUCBQ-OUKQBFOZSA-N 0 0 335.359 4.889 50 30 EJEARN COc1ccc(N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000479568 524697779 /nfs/dbraw/zinc/69/77/79/524697779.db2.gz OVFVHWVICVJGOX-QFIPXVFZSA-N 0 0 344.414 4.951 50 30 EJEARN COc1ccc(N[C@@H](C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000530707 524697879 /nfs/dbraw/zinc/69/78/79/524697879.db2.gz ZJAGOXOQBYLFBQ-NRFANRHFSA-N 0 0 344.414 4.951 50 30 EJEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000004649226 525949267 /nfs/dbraw/zinc/94/92/67/525949267.db2.gz ASOFYVRQEGJUDN-AWNIVKPZSA-N 0 0 339.460 4.899 50 30 EJEARN Clc1ccc(-c2csc(N=NCc3ccccn3)n2)c(Cl)c1 ZINC000004603372 526934737 /nfs/dbraw/zinc/93/47/37/526934737.db2.gz QIEBXAOFFZLTDB-UFWORHAWSA-N 0 0 349.246 4.958 50 30 EJEARN O=C(Cc1ccsc1)NCc1nc(-c2ccccc2F)cs1 ZINC000328588021 527588172 /nfs/dbraw/zinc/58/81/72/527588172.db2.gz MCWFDLWMPXAKSK-UHFFFAOYSA-N 0 0 332.425 4.710 50 30 EJEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2s1 ZINC000028294084 527629180 /nfs/dbraw/zinc/62/91/80/527629180.db2.gz ZIPFIPSTZVHWQB-CMDGGOBGSA-N 0 0 342.401 4.537 50 30 EJEARN CCOc1cccc(/C=N/c2ccc(C)cc2Br)c1O ZINC000044836050 563926679 /nfs/dbraw/zinc/92/66/79/563926679.db2.gz VKDFMPIMUDEDMQ-VCHYOVAHSA-N 0 0 334.213 4.612 50 30 EJEARN CC(C)c1ccc(NC(=S)N/N=C/c2ccccc2Cl)cc1 ZINC000000071737 563215406 /nfs/dbraw/zinc/21/54/06/563215406.db2.gz AMGRSNVRNARMIV-YBFXNURJSA-N 0 0 331.872 4.784 50 30 EJEARN O=C1c2cc(Cl)ccc2SC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000104930 563227203 /nfs/dbraw/zinc/22/72/03/563227203.db2.gz NROGRFBGUOFPGT-IZZDOVSWSA-N 0 0 331.780 4.620 50 30 EJEARN O=C(C=CSc1nc2cc(F)c(Cl)cc2[nH]1)c1ccccc1 ZINC000000174142 563252327 /nfs/dbraw/zinc/25/23/27/563252327.db2.gz XYGRLYPWQZXAPJ-VOTSOKGWSA-N 0 0 332.787 4.844 50 30 EJEARN Cc1cccc(C(=O)OC2=C(c3ccccc3)C(=O)c3ccccc32)c1 ZINC000000225817 563263110 /nfs/dbraw/zinc/26/31/10/563263110.db2.gz WPYDRMOJAUJYND-UHFFFAOYSA-N 0 0 340.378 4.917 50 30 EJEARN COc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1OC ZINC000000311345 563281003 /nfs/dbraw/zinc/28/10/03/563281003.db2.gz PKYBRJZWVUWFCJ-OEAKJJBVSA-N 0 0 342.398 4.556 50 30 EJEARN COc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000000450330 563319090 /nfs/dbraw/zinc/31/90/90/563319090.db2.gz AOCFTNCFFXNXRU-OEAKJJBVSA-N 0 0 342.398 4.556 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C/c1cccc(Br)c1)CC2 ZINC000000480572 563336447 /nfs/dbraw/zinc/33/64/47/563336447.db2.gz JXIBKZSQXWEKBR-NTEUORMPSA-N 0 0 343.220 4.670 50 30 EJEARN Cc1ccc2c(c1)N[C@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001212206 563379662 /nfs/dbraw/zinc/37/96/62/563379662.db2.gz PEGCXMNGVWFZOM-OAQYLSRUSA-N 0 0 348.446 4.923 50 30 EJEARN Oc1ccc2ccccc2c1/C=N/N=C/c1c(O)ccc2ccccc21 ZINC000001718863 563406835 /nfs/dbraw/zinc/40/68/35/563406835.db2.gz SYRBOMODLUADBZ-RNIAWFEPSA-N 0 0 340.382 4.857 50 30 EJEARN CC(=O)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000001799250 563412902 /nfs/dbraw/zinc/41/29/02/563412902.db2.gz FEUHDYZFHDFFPJ-UHFFFAOYSA-N 0 0 335.244 4.528 50 30 EJEARN Cc1cc(=O)n(-c2ccc(N=Cc3ccc(Cl)c(Cl)c3)cc2)[nH]1 ZINC000002160711 563424778 /nfs/dbraw/zinc/42/47/78/563424778.db2.gz ANBVMEAYULRRDU-KEBDBYFISA-N 0 0 346.217 4.857 50 30 EJEARN CN(Cc1cn2ccccc2c1C#N)Cc1ccc2ccccc2c1 ZINC000071890987 563426223 /nfs/dbraw/zinc/42/62/23/563426223.db2.gz LCQUGPHVRPGOHU-UHFFFAOYSA-N 0 0 325.415 4.596 50 30 EJEARN C[C@H](C=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004416476 563502477 /nfs/dbraw/zinc/50/24/77/563502477.db2.gz XVPJEGGIGJLDQK-HOFZUOGSSA-N 0 0 328.496 4.970 50 30 EJEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c[nH]c2ccccc12 ZINC000005379544 563530484 /nfs/dbraw/zinc/53/04/84/563530484.db2.gz GFMANAJASCSHKO-ZVBGSRNCSA-N 0 0 348.284 4.541 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000005682456 563545589 /nfs/dbraw/zinc/54/55/89/563545589.db2.gz SQTDGQOHRFSBJZ-MDWZMJQESA-N 0 0 332.355 4.703 50 30 EJEARN CO/N=C1/C[C@@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000005696816 563545912 /nfs/dbraw/zinc/54/59/12/563545912.db2.gz ICICCNLECZQTRT-APDGPGDQSA-N 0 0 343.430 4.743 50 30 EJEARN COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(C)s2)c1 ZINC000002843286 563618307 /nfs/dbraw/zinc/61/83/07/563618307.db2.gz UPUMMJBROYGOEL-UDWIEESQSA-N 0 0 338.432 4.886 50 30 EJEARN CCCCCCCNC1=CC(=O)C[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000008410279 563629771 /nfs/dbraw/zinc/62/97/71/563629771.db2.gz QIPGYAQKFPWBOT-QGZVFWFLSA-N 0 0 345.483 4.594 50 30 EJEARN Cc1ccc(N/N=C(\Cl)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000013512335 563700310 /nfs/dbraw/zinc/70/03/10/563700310.db2.gz ATJDQZUQMKFNRB-SAPNQHFASA-N 0 0 332.768 4.960 50 30 EJEARN C=CCSc1ccccc1NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000032738258 563722891 /nfs/dbraw/zinc/72/28/91/563722891.db2.gz QTSMTGSQJNTGSW-UHFFFAOYSA-N 0 0 347.823 4.599 50 30 EJEARN Cc1ccsc1/C=C1\S/C(=N/c2ccc(C)c(Cl)c2)NC1=O ZINC000013880965 563728317 /nfs/dbraw/zinc/72/83/17/563728317.db2.gz GGIAOENYZQGPEG-ZSOIEALJSA-N 0 0 348.880 4.910 50 30 EJEARN CC(N=Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccccc1 ZINC000013940591 563731794 /nfs/dbraw/zinc/73/17/94/563731794.db2.gz RXPYEJVJIALHKJ-DNTJNYDQSA-N 0 0 339.613 4.750 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(F)c3)S2)cc1Cl ZINC000015016550 563772775 /nfs/dbraw/zinc/77/27/75/563772775.db2.gz WLKNCZVKGKOMDK-NVNXTCNLSA-N 0 0 346.814 4.679 50 30 EJEARN COc1cccc(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000044835944 563926700 /nfs/dbraw/zinc/92/67/00/563926700.db2.gz QRKGJMVSRNNCGZ-DNTJNYDQSA-N 0 0 329.705 4.824 50 30 EJEARN C=CCn1c2ccccc2nc1/N=C(\C)c1cc(Cl)ccc1O ZINC000004608499 563930789 /nfs/dbraw/zinc/93/07/89/563930789.db2.gz NEYQTKNRULJUEI-UDWIEESQSA-N 0 0 325.799 4.722 50 30 EJEARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(F)cc1F ZINC000057996482 563936383 /nfs/dbraw/zinc/93/63/83/563936383.db2.gz IRSKGXKXMYJLOW-ORCRQEGFSA-N 0 0 332.733 4.833 50 30 EJEARN COc1ccccc1[C@@H](C#N)N(C(=O)c1ccccc1)c1ccccc1 ZINC000071770843 563965674 /nfs/dbraw/zinc/96/56/74/563965674.db2.gz OMKHQWIATHKKCX-HXUWFJFHSA-N 0 0 342.398 4.607 50 30 EJEARN Cc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O ZINC000096973217 563966561 /nfs/dbraw/zinc/96/65/61/563966561.db2.gz QKPRNJMTFDFWFJ-VJTUXUFQSA-N 0 0 349.386 4.747 50 30 EJEARN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)c3ccccc32)C1(CC)CC ZINC000328829329 563971953 /nfs/dbraw/zinc/97/19/53/563971953.db2.gz UDATYJRTUAHQSF-YTQUADARSA-N 0 0 343.467 4.687 50 30 EJEARN CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1 ZINC000100004060 563982269 /nfs/dbraw/zinc/98/22/69/563982269.db2.gz HSMVPDGQOIQYSR-KGENOOAVSA-N 0 0 345.752 4.560 50 30 in-vitro EJEARN CCCC(=NOCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000100044966 563982318 /nfs/dbraw/zinc/98/23/18/563982318.db2.gz CSPPKDPQLUUTND-OMXZIVNTSA-N 0 0 327.490 4.502 50 30 in-vitro EJEARN Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C#N)c1C ZINC000100251838 563982475 /nfs/dbraw/zinc/98/24/75/563982475.db2.gz RUVLTTVJOIODNW-KEBDBYFISA-N 0 0 335.319 4.687 50 30 EJEARN CCCCCCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 ZINC000102170310 563983173 /nfs/dbraw/zinc/98/31/73/563983173.db2.gz NOLAFRQEZKFUOV-UWJYYQICSA-N 0 0 343.467 4.660 50 30 EJEARN CC(C)c1ccc(O)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000095482083 563983917 /nfs/dbraw/zinc/98/39/17/563983917.db2.gz LJWFAEWIHQLOCU-GIJQJNRQSA-N 0 0 334.213 4.734 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 ZINC000000105434 563986436 /nfs/dbraw/zinc/98/64/36/563986436.db2.gz DODMWLFQCYAYIN-UHFFFAOYSA-N 0 0 333.774 4.593 50 30 EJEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)Cc3cccs3)sc2C1 ZINC000000372280 563991841 /nfs/dbraw/zinc/99/18/41/563991841.db2.gz KKOAGQWRWMJMHQ-LBPRGKRZSA-N 0 0 344.505 4.767 50 30 EJEARN O=C1c2ccccc2N/C1=C1\Sc2ccc3ccccc3c2C1=O ZINC000100573289 563993857 /nfs/dbraw/zinc/99/38/57/563993857.db2.gz RZJYEAXZXIJKCJ-JZJYNLBNSA-N 0 0 329.380 4.648 50 30 EJEARN CCCCCCCCCC[NH2+][C@@H](c1ccccc1)P(=O)([O-])[O-] ZINC000100706063 563994983 /nfs/dbraw/zinc/99/49/83/563994983.db2.gz JRUCEIRKFMFRKI-QGZVFWFLSA-N 0 0 327.405 4.593 50 30 EJEARN N#Cc1c(N=Cc2cc(Cl)cc(Cl)c2[O-])sc2c1CCC2 ZINC000252463177 563997658 /nfs/dbraw/zinc/99/76/58/563997658.db2.gz ZLCCXOOZFJEICE-UHFFFAOYSA-N 0 0 337.231 4.871 50 30 EJEARN C=C(Cl)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002553246 563999627 /nfs/dbraw/zinc/99/96/27/563999627.db2.gz HVQXASDMNZVHBK-UHFFFAOYSA-N 0 0 340.806 4.824 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 ZINC000000447422 563999670 /nfs/dbraw/zinc/99/96/70/563999670.db2.gz IGIUFNRRFSPTOS-UHFFFAOYSA-N 0 0 327.383 4.557 50 30 aggregator EJEARN N#Cc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000005185717 564000199 /nfs/dbraw/zinc/00/01/99/564000199.db2.gz KHOCJORLQDEBGK-UHFFFAOYSA-N 0 0 339.398 4.535 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(F)cc3)sc2C1 ZINC000033923969 564000729 /nfs/dbraw/zinc/00/07/29/564000729.db2.gz VDSSECVKYZWMNM-DJTUGOFGSA-N 0 0 340.423 4.536 50 30 EJEARN N#CC[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000079064620 564000974 /nfs/dbraw/zinc/00/09/74/564000974.db2.gz LNPBFPWYXGAYIV-AWEZNQCLSA-N 0 0 334.206 4.770 50 30 EJEARN COc1cc(C#N)ccc1OCc1csc(-c2ccc(C)cc2)n1 ZINC000005230916 564001390 /nfs/dbraw/zinc/00/13/90/564001390.db2.gz NBAVTZYPQIWWIW-UHFFFAOYSA-N 0 0 336.416 4.578 50 30 EJEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccco1 ZINC000005547740 564005248 /nfs/dbraw/zinc/00/52/48/564005248.db2.gz NKUSYIJKRLRAAS-QPJJXVBHSA-N 0 0 343.722 4.997 50 30 EJEARN CSc1nc(NCc2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607409 564006275 /nfs/dbraw/zinc/00/62/75/564006275.db2.gz OAINBJDWJYHNAD-UHFFFAOYSA-N 0 0 346.459 4.658 50 30 EJEARN Cc1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N ZINC000000168330 564017242 /nfs/dbraw/zinc/01/72/42/564017242.db2.gz UISMZCIHOJVXST-UHFFFAOYSA-N 0 0 335.763 4.542 50 30 EJEARN C[C@H]1CN(C(=O)c2ccc(F)cc2)/C(=N/c2ccccc2Cl)S1 ZINC000000499381 564018419 /nfs/dbraw/zinc/01/84/19/564018419.db2.gz PWSSZXSRBCWDKO-QKRFLKLASA-N 0 0 348.830 4.744 50 30 EJEARN CCCCCCCCCC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000102998318 564021072 /nfs/dbraw/zinc/02/10/72/564021072.db2.gz QEXPCIFGPISOCS-UHFFFAOYSA-N 0 0 341.499 4.688 50 30 EJEARN CC(=O)C(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(C)=O ZINC000000533907 564022022 /nfs/dbraw/zinc/02/20/22/564022022.db2.gz HLBOKGZWHTULGS-UHFFFAOYSA-N 0 0 336.359 4.823 50 30 EJEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3cccc4ccccc43)nc2C#N)C1 ZINC000000546092 564022730 /nfs/dbraw/zinc/02/27/30/564022730.db2.gz JVYXTMIZQPVKBJ-HUUCEWRRSA-N 0 0 331.419 4.849 50 30 EJEARN O=c1ccc2c([nH]1)CCC[C@@H]2/N=C\c1sc2ccccc2c1Cl ZINC000104007725 564023651 /nfs/dbraw/zinc/02/36/51/564023651.db2.gz RCFURXBWPZQGSG-NLLJVSSUSA-N 0 0 342.851 4.740 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2ccc(OC)c(Cl)c2)cc1 ZINC000051318904 564024514 /nfs/dbraw/zinc/02/45/14/564024514.db2.gz GERJNXDCVNPENH-ZHACJKMWSA-N 0 0 331.799 4.556 50 30 EJEARN O=C(C=CNc1ccccc1Cl)c1ccc(Br)cc1 ZINC000044975021 564027897 /nfs/dbraw/zinc/02/78/97/564027897.db2.gz HFVHXQRLKAHTLX-MDZDMXLPSA-N 0 0 336.616 4.911 50 30 EJEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1C ZINC000606422385 564043417 /nfs/dbraw/zinc/04/34/17/564043417.db2.gz VCWQLTKDJVSIDU-HYARGMPZSA-N 0 0 349.434 4.835 50 30 EJEARN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000001008402 564053998 /nfs/dbraw/zinc/05/39/98/564053998.db2.gz SXYGBCZXKVKOAF-FFCYNSPCSA-N 0 0 343.379 4.697 50 30 EJEARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccnc3)c2C#N)c1 ZINC000001056357 564054269 /nfs/dbraw/zinc/05/42/69/564054269.db2.gz CFDSNGKRLAEYOT-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN CC(=O)C1=CC[C@@H]2[C@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257357675 564055977 /nfs/dbraw/zinc/05/59/77/564055977.db2.gz PIPYBRMLUCOTFE-BLKMGBSRSA-N 0 0 328.496 4.826 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257359286 564055994 /nfs/dbraw/zinc/05/59/94/564055994.db2.gz ZJTSNYHPKIGSEQ-YDTNQSOFSA-N 0 0 328.496 4.970 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257359283 564056011 /nfs/dbraw/zinc/05/60/11/564056011.db2.gz ZJTSNYHPKIGSEQ-AKYOXDBPSA-N 0 0 328.496 4.970 50 30 EJEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccc(C)cc2)c1C#N ZINC000005928645 564057059 /nfs/dbraw/zinc/05/70/59/564057059.db2.gz DESBBVIYLAYEIW-UHFFFAOYSA-N 0 0 343.430 4.586 50 30 EJEARN CCOc1ccccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003291891 564059122 /nfs/dbraw/zinc/05/91/22/564059122.db2.gz ZMSUADCSOYEYSS-UHFFFAOYSA-N 0 0 343.382 4.843 50 30 EJEARN CCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001255817 564062725 /nfs/dbraw/zinc/06/27/25/564062725.db2.gz YKUYQKRBIUMLHU-UHFFFAOYSA-N 0 0 342.402 4.810 50 30 EJEARN CCN(C(=O)c1cc(C#N)cs1)c1nc2cc(Cl)ccc2s1 ZINC000084069575 564066121 /nfs/dbraw/zinc/06/61/21/564066121.db2.gz UCTXCQAQAFLLNA-UHFFFAOYSA-N 0 0 347.852 4.550 50 30 EJEARN Cc1oc(C)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1C ZINC000012773778 564069120 /nfs/dbraw/zinc/06/91/20/564069120.db2.gz ZIQZIYGGIACIPV-UHFFFAOYSA-N 0 0 329.399 4.857 50 30 EJEARN C=CCNc1nc(SCc2ccc(Cl)cc2)nc2c1CCCC2 ZINC000005480612 564070588 /nfs/dbraw/zinc/07/05/88/564070588.db2.gz YLFSAROKYYIZSG-UHFFFAOYSA-N 0 0 345.899 4.899 50 30 EJEARN N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 ZINC000006083850 564073668 /nfs/dbraw/zinc/07/36/68/564073668.db2.gz LEPJMYNFWRKFMG-UHFFFAOYSA-N 0 0 347.871 4.561 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccccc1-c1ccccc1 ZINC000000163588 564074493 /nfs/dbraw/zinc/07/44/93/564074493.db2.gz OFSPLVTZEAJBQD-CQSZACIVSA-N 0 0 337.448 4.934 50 30 EJEARN N#Cc1ccc(Cl)c(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000088227618 564078489 /nfs/dbraw/zinc/07/84/89/564078489.db2.gz KMKVXSBVOFEPGD-UHFFFAOYSA-N 0 0 342.185 4.666 50 30 EJEARN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006401302 564085582 /nfs/dbraw/zinc/08/55/82/564085582.db2.gz WAAKNLDSVHUZET-INIZCTEOSA-N 0 0 342.398 4.631 50 30 EJEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000191481617 564086345 /nfs/dbraw/zinc/08/63/45/564086345.db2.gz VVPBSAZPLBORDX-HKUYNNGSSA-N 0 0 342.483 4.618 50 30 EJEARN C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc2ccccc21 ZINC000013019220 564086873 /nfs/dbraw/zinc/08/68/73/564086873.db2.gz XRTHEUAKABOJDB-OAHLLOKOSA-N 0 0 346.455 4.946 50 30 EJEARN C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc2ccccc21 ZINC000013019222 564086877 /nfs/dbraw/zinc/08/68/77/564086877.db2.gz XRTHEUAKABOJDB-HNNXBMFYSA-N 0 0 346.455 4.946 50 30 EJEARN N#Cc1cc2c(=O)c3ccccc3oc2nc1-c1ccc(Cl)cc1 ZINC000006585711 564092262 /nfs/dbraw/zinc/09/22/62/564092262.db2.gz HBJVFWMEJRHYKM-UHFFFAOYSA-N 0 0 332.746 4.533 50 30 EJEARN CC(=CC(=O)c1ccccc1)Nc1ccc(F)cc1Br ZINC000006753428 564097202 /nfs/dbraw/zinc/09/72/02/564097202.db2.gz AJASETCWANEDGQ-PKNBQFBNSA-N 0 0 334.188 4.787 50 30 EJEARN N#Cc1cnn2c(NC3CCCCCCC3)c(-c3cccs3)[nH]c12 ZINC000006768504 564097443 /nfs/dbraw/zinc/09/74/43/564097443.db2.gz MWKVYSBIHSOXCP-UHFFFAOYSA-N 0 0 339.468 4.787 50 30 EJEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000006822276 564098848 /nfs/dbraw/zinc/09/88/48/564098848.db2.gz KEWVZGJYONIXQL-APSNUPSMSA-N 0 0 349.169 4.535 50 30 EJEARN CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000238809363 564104992 /nfs/dbraw/zinc/10/49/92/564104992.db2.gz QSXYPHAWOSQCHP-SAABIXHNSA-N 0 0 333.431 5.461 50 30 EJEARN Cc1ccc(Sc2oc(-c3cccc4ccccc43)nc2C#N)cc1 ZINC000238950423 564105767 /nfs/dbraw/zinc/10/57/67/564105767.db2.gz XZEJIYPXDKRKOI-UHFFFAOYSA-N 0 0 342.423 5.826 50 30 EJEARN CCCc1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751413 564112035 /nfs/dbraw/zinc/11/20/35/564112035.db2.gz YQXZCCOOLIHALL-AWEZNQCLSA-N 0 0 330.472 4.915 50 30 EJEARN COc1cccc2c1ncc(C#N)c2Nc1cccc(C(F)(F)F)c1 ZINC000016840745 564113755 /nfs/dbraw/zinc/11/37/55/564113755.db2.gz NVZRYECPWXJZHJ-UHFFFAOYSA-N 0 0 343.308 4.877 50 30 EJEARN COc1ccc(Nc2c(C#N)cnc3c(OC)cccc32)cc1Cl ZINC000016841270 564113809 /nfs/dbraw/zinc/11/38/09/564113809.db2.gz DFYAESVCYLAWNL-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN CSc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000006055694 564116391 /nfs/dbraw/zinc/11/63/91/564116391.db2.gz ZVQUNQKJTRRNHD-WOJGMQOQSA-N 0 0 340.477 4.520 50 30 EJEARN Oc1ccc2ccccc2c1C=NN=Cc1c(O)ccc2ccccc21 ZINC000254523623 564116679 /nfs/dbraw/zinc/11/66/79/564116679.db2.gz SYRBOMODLUADBZ-UHFFFAOYSA-N 0 0 340.382 4.857 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001440921 564116859 /nfs/dbraw/zinc/11/68/59/564116859.db2.gz RNOYAVJBRJOTFY-FQEVSTJZSA-N 0 0 342.398 4.505 50 30 EJEARN Cc1nn(-c2ccccc2)c(N=Cc2cccnc2)c1-c1ccccc1 ZINC000252597755 564121128 /nfs/dbraw/zinc/12/11/28/564121128.db2.gz CVAPEHVEDXTKHF-UHFFFAOYSA-N 0 0 338.414 4.993 50 30 EJEARN CCn1c(C=Nc2nc3cc(C)c(C)cc3n2CC)nc2ccccc21 ZINC000252597748 564121141 /nfs/dbraw/zinc/12/11/41/564121141.db2.gz CUWGABBDSOEHCL-UHFFFAOYSA-N 0 0 345.450 4.793 50 30 EJEARN CCc1ccc(N=C2S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1 ZINC000252613962 564121955 /nfs/dbraw/zinc/12/19/55/564121955.db2.gz JFQMFQZKSTXVSI-VZTGFIPTSA-N 0 0 340.423 4.622 50 30 EJEARN C=CCOc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3)n2)cc1OC ZINC000037553504 564122577 /nfs/dbraw/zinc/12/25/77/564122577.db2.gz DOHXGRZZRCJXHP-DLBZAZTESA-N 0 0 348.402 4.581 50 30 EJEARN C=CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002210229 564122578 /nfs/dbraw/zinc/12/25/78/564122578.db2.gz CPJQHPGXIUXTLL-UHFFFAOYSA-N 0 0 338.480 4.525 50 30 EJEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000252623199 564122949 /nfs/dbraw/zinc/12/29/49/564122949.db2.gz OMEDJSNQXNWYLT-UHFFFAOYSA-N 0 0 338.392 4.554 50 30 EJEARN COc1ccc(C(C)=Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000252631979 564124075 /nfs/dbraw/zinc/12/40/75/564124075.db2.gz VNPORDOLVJYVGX-UHFFFAOYSA-N 0 0 340.448 4.656 50 30 EJEARN O=C(Nc1ccc(Cl)c(Cl)c1)ON=Cc1ccc(F)cc1 ZINC000252634211 564124501 /nfs/dbraw/zinc/12/45/01/564124501.db2.gz WLBQRJDLXXBOIK-UHFFFAOYSA-N 0 0 327.142 4.715 50 30 EJEARN N#Cc1c2c(sc1N=Cc1ccc(Br)s1)CCC2 ZINC000252644123 564124752 /nfs/dbraw/zinc/12/47/52/564124752.db2.gz ZZPUWCHQAJQHBB-UHFFFAOYSA-N 0 0 337.267 4.683 50 30 EJEARN CCC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccc(C)cc1 ZINC000252678932 564124903 /nfs/dbraw/zinc/12/49/03/564124903.db2.gz HTPHTRVGGRAEFA-UHFFFAOYSA-N 0 0 334.375 4.716 50 30 EJEARN CC1(C)CCC(Cn2cc(C#N)c(=O)c3cc(F)c(F)c(F)c32)CC1 ZINC000253416965 564130762 /nfs/dbraw/zinc/13/07/62/564130762.db2.gz YCNVFLCZWTXZOT-UHFFFAOYSA-N 0 0 348.368 4.507 50 30 EJEARN CCO[P@](=O)(C#CC(C)(C)C)[C@](O)(c1ccccc1)C(F)(F)F ZINC000002317754 564132165 /nfs/dbraw/zinc/13/21/65/564132165.db2.gz LOOMGBANYDMLRT-IQMFZBJNSA-N 0 0 348.301 4.716 50 30 EJEARN Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000000007761 564132696 /nfs/dbraw/zinc/13/26/96/564132696.db2.gz ILAYIAGXTHKHNT-UHFFFAOYSA-N 0 0 329.407 4.761 50 30 aggregator,investigational EJEARN CSc1nc2cc(C)nn2c(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000000094757 564132813 /nfs/dbraw/zinc/13/28/13/564132813.db2.gz ILLLLPHMBGJKQY-UHFFFAOYSA-N 0 0 336.464 4.596 50 30 EJEARN N#Cc1ccc(-c2ccncc2)nc1SCc1ccccc1Cl ZINC000000614367 564133523 /nfs/dbraw/zinc/13/35/23/564133523.db2.gz AZNBPGRPHFHZQN-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000012960220 564135746 /nfs/dbraw/zinc/13/57/46/564135746.db2.gz ZTTBHALOENLQEC-OCKHKDLRSA-N 0 0 337.206 4.525 50 30 EJEARN CSC1=N/C(=N/C2CCCCC2)C2(C3CC4CC(C3)CC2C4)N1C ZINC000390830603 564138636 /nfs/dbraw/zinc/13/86/36/564138636.db2.gz MDATXNCOHWQGIE-DYTRJAOYSA-N 0 0 345.556 4.577 50 30 EJEARN Cc1ccc(NC(=O)CSc2cccc(Cl)c2C#N)c(C)c1 ZINC000095458227 564140684 /nfs/dbraw/zinc/14/06/84/564140684.db2.gz VSLFTPWFUIVQAK-UHFFFAOYSA-N 0 0 330.840 4.559 50 30 EJEARN CC(=C\c1ccccc1)/C=C\C(=O)c1cccc(N2CCCC2=O)c1 ZINC000096402145 564147136 /nfs/dbraw/zinc/14/71/36/564147136.db2.gz YCCQNOLFLILIKU-SPKJGDAZSA-N 0 0 331.415 4.656 50 30 EJEARN COc1ccc2cc(/C=C\C(=O)c3ccc(F)cc3)c(Cl)nc2c1 ZINC000096405111 564147278 /nfs/dbraw/zinc/14/72/78/564147278.db2.gz RPCNWPRRWGMHKP-UITAMQMPSA-N 0 0 341.769 4.932 50 30 EJEARN COc1ccc(OC)c(C(=O)/C=C\c2ccccc2C(F)(F)F)c1 ZINC000096766974 564148931 /nfs/dbraw/zinc/14/89/31/564148931.db2.gz MNJUUGHJXVRDQV-CLFYSBASSA-N 0 0 336.309 4.619 50 30 EJEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccc(Cl)cc1 ZINC000002550244 564150604 /nfs/dbraw/zinc/15/06/04/564150604.db2.gz FVTJAQOLXHOODH-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 ZINC000002627528 564151372 /nfs/dbraw/zinc/15/13/72/564151372.db2.gz AFIGLVRBXBIEJX-UHFFFAOYSA-N 0 0 337.448 4.611 50 30 EJEARN O=C(/C=C1\c2ccccc2C(=O)N1c1ccccc1)c1ccccc1 ZINC000029763501 564153840 /nfs/dbraw/zinc/15/38/40/564153840.db2.gz HNPPNMLFHDBYPJ-HMMYKYKNSA-N 0 0 325.367 4.571 50 30 EJEARN N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(C(F)(F)F)cn1 ZINC000003047570 564154684 /nfs/dbraw/zinc/15/46/84/564154684.db2.gz VXIQWNXPOUHXCI-UHFFFAOYSA-N 0 0 349.259 4.537 50 30 EJEARN COc1ccc(Sc2nc(-c3ccc(F)cc3)ccc2C#N)cc1 ZINC000003128337 564155333 /nfs/dbraw/zinc/15/53/33/564155333.db2.gz KNWBCQIABXICGD-UHFFFAOYSA-N 0 0 336.391 4.919 50 30 EJEARN C=CCSc1nc(-c2ccccc2)c(C(=O)C(F)(F)F)cc1C#N ZINC000003174867 564155646 /nfs/dbraw/zinc/15/56/46/564155646.db2.gz WRGHJIDKJWGAKO-UHFFFAOYSA-N 0 0 348.349 4.643 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000003193937 564155856 /nfs/dbraw/zinc/15/58/56/564155856.db2.gz WXZMLOAYRLQEQL-UHFFFAOYSA-N 0 0 345.383 4.680 50 30 EJEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H]1CO1 ZINC000003227430 564156164 /nfs/dbraw/zinc/15/61/64/564156164.db2.gz CAEYOAHHWYBZDZ-QGZVFWFLSA-N 0 0 344.439 4.778 50 30 EJEARN CN(Cc1cccc(Cl)c1Cl)c1ncc(C#N)cc1Cl ZINC000058331978 564158660 /nfs/dbraw/zinc/15/86/60/564158660.db2.gz ZLSBYGVLMIJIDO-UHFFFAOYSA-N 0 0 326.614 4.550 50 30 EJEARN CCN(CC)c1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000003911127 564159676 /nfs/dbraw/zinc/15/96/76/564159676.db2.gz WHBQXAOYJYWNSN-SDNWHVSQSA-N 0 0 347.414 4.535 50 30 EJEARN Cc1ccccc1-n1c(SCc2ccccc2C#N)nnc1C(C)C ZINC000004186392 564161066 /nfs/dbraw/zinc/16/10/66/564161066.db2.gz YTRGUEAGYGXMHU-UHFFFAOYSA-N 0 0 348.475 4.863 50 30 EJEARN C[C@H](C#N)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000008711043 564166686 /nfs/dbraw/zinc/16/66/86/564166686.db2.gz IYURREFXYQSMDX-MRVPVSSYSA-N 0 0 339.367 4.705 50 30 EJEARN Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)c[nH]c2c1 ZINC000069565358 564170552 /nfs/dbraw/zinc/17/05/52/564170552.db2.gz BZXBACSMNCDZLY-OAHLLOKOSA-N 0 0 345.427 4.505 50 30 EJEARN C=CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000071405989 564175024 /nfs/dbraw/zinc/17/50/24/564175024.db2.gz HVAWFLCMKRBZCH-UHFFFAOYSA-N 0 0 345.251 4.666 50 30 EJEARN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccsc2)cc1 ZINC000055823745 214342920 /nfs/dbraw/zinc/34/29/20/214342920.db2.gz PDZMGKCRAMBZDK-UHFFFAOYSA-N 0 0 348.427 4.645 50 30 EJEARN CCNc1ccccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O ZINC000004667378 210241736 /nfs/dbraw/zinc/24/17/36/210241736.db2.gz QTCCEIVAUMVWGR-CSKARUKUSA-N 0 0 348.229 4.682 50 30 EJEARN CC(C)(O)C#Cc1ccc(OCCCCCCCCCCCO)cc1 ZINC000004616212 210231803 /nfs/dbraw/zinc/23/18/03/210231803.db2.gz 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/nfs/dbraw/zinc/18/58/27/210185827.db2.gz FXDOWFKBHPBAAE-QPSGOUHRSA-N 0 0 348.155 4.878 50 30 EJEARN COc1ccc(OC)c(C(=O)/C=C/c2ccccc2C(F)(F)F)c1 ZINC000004363536 210180698 /nfs/dbraw/zinc/18/06/98/210180698.db2.gz MNJUUGHJXVRDQV-VQHVLOKHSA-N 0 0 336.309 4.619 50 30 EJEARN N#C[C@](Cc1ccccc1)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004367841 210179887 /nfs/dbraw/zinc/17/98/87/210179887.db2.gz JREZFNAUKMTFOJ-OAQYLSRUSA-N 0 0 328.371 4.647 50 30 EJEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@H]1c1ccccc1F ZINC000101405345 219125766 /nfs/dbraw/zinc/12/57/66/219125766.db2.gz ZLUAFXQYVHTHEV-SFHVURJKSA-N 0 0 333.362 4.558 50 30 EJEARN CC(C)/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000004300614 210164347 /nfs/dbraw/zinc/16/43/47/210164347.db2.gz IHCQMNPVYQJCHD-CJLVFECKSA-N 0 0 335.325 4.923 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000004276691 210159532 /nfs/dbraw/zinc/15/95/32/210159532.db2.gz CHKCKZJOXKQZMG-DHZHZOJOSA-N 0 0 348.398 4.762 50 30 EJEARN COc1ccc2c(c1)CC/C(=C/c1ccccc1Br)C2=O ZINC000008664644 201755575 /nfs/dbraw/zinc/75/55/75/201755575.db2.gz ZHOQTMYSBFYMPC-UVTDQMKNSA-N 0 0 343.220 4.670 50 30 EJEARN Cc1c2cc3c(C)cc(=O)oc3c(C)c2oc1/C(=N/O)c1ccccc1 ZINC000004180011 210140003 /nfs/dbraw/zinc/14/00/03/210140003.db2.gz RSFDGQBLUXPPQS-RELWKKBWSA-N 0 0 347.370 4.691 50 30 EJEARN N#Cc1c2nc3ccccc3n2c(N2CCCCCC2)c2c1CCCC2 ZINC000004135824 210129082 /nfs/dbraw/zinc/12/90/82/210129082.db2.gz KYSPWIHJJPEGAL-UHFFFAOYSA-N 0 0 344.462 4.618 50 30 EJEARN COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000004133079 210128052 /nfs/dbraw/zinc/12/80/52/210128052.db2.gz AFCVTJCHRCYTGE-UDWIEESQSA-N 0 0 333.416 4.904 50 30 EJEARN CC(=CC(=O)c1ccccc1)Nc1c(N)sc2nc(C)cc(C)c21 ZINC000012446537 201848296 /nfs/dbraw/zinc/84/82/96/201848296.db2.gz JFEVWVQUJGKALJ-JLHYYAGUSA-N 0 0 337.448 4.694 50 30 EJEARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C#N)cc4)cc3c2C1 ZINC000012590402 201856492 /nfs/dbraw/zinc/85/64/92/201856492.db2.gz LYZCFRKFAYCBGZ-CQSZACIVSA-N 0 0 344.414 4.521 50 30 EJEARN Cc1cc2c(cc1C)N[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004036903 210106362 /nfs/dbraw/zinc/10/63/62/210106362.db2.gz NCIKIXIOZWWGIC-NRFANRHFSA-N 0 0 347.462 4.920 50 30 EJEARN N#Cc1c2c(c(Nc3cccc(F)c3)n3c4ccccc4nc13)CCC2 ZINC000004034007 210104718 /nfs/dbraw/zinc/10/47/18/210104718.db2.gz CLGKHLFZEIORRM-UHFFFAOYSA-N 0 0 342.377 4.731 50 30 EJEARN FC(F)(F)c1cc(Cl)c(NN=Cc2cccnc2)c(Cl)c1 ZINC000066091312 215008780 /nfs/dbraw/zinc/00/87/80/215008780.db2.gz NYCBYYOHQAUCAB-IFRROFPPSA-N 0 0 334.128 4.853 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003997946 210096711 /nfs/dbraw/zinc/09/67/11/210096711.db2.gz LDCOXBRRMMKHQS-XBXARRHUSA-N 0 0 337.202 4.907 50 30 EJEARN C(#Cc1ccccc1)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000067194100 215123143 /nfs/dbraw/zinc/12/31/43/215123143.db2.gz RTXCAPLIDZCHCB-UHFFFAOYSA-N 0 0 335.450 4.592 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000003190020 209974578 /nfs/dbraw/zinc/97/45/78/209974578.db2.gz FCDCOBDXHPEONB-LLVKDONJSA-N 0 0 339.218 4.667 50 30 EJEARN CSc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C#N ZINC000003104728 209963185 /nfs/dbraw/zinc/96/31/85/209963185.db2.gz GSNIGXVONNSCOA-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN O=C1/C(=N\O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000002518985 209861700 /nfs/dbraw/zinc/86/17/00/209861700.db2.gz KTYRRPGIAHUNMG-KKPVDXMRSA-N 0 0 339.394 4.794 50 30 EJEARN C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OCC)cc1 ZINC000002414709 209848015 /nfs/dbraw/zinc/84/80/15/209848015.db2.gz KOXISUKBOIQZEE-UHFFFAOYSA-N 0 0 347.414 4.552 50 30 EJEARN CCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC ZINC000002091587 209819891 /nfs/dbraw/zinc/81/98/91/209819891.db2.gz ICTNZPATGWHEJL-LDADJPATSA-N 0 0 326.417 4.814 50 30 EJEARN CCCN1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 ZINC000039326815 213234326 /nfs/dbraw/zinc/23/43/26/213234326.db2.gz MFSJJUJQTKBXJE-WFYKWJGLSA-N 0 0 329.490 4.571 50 30 EJEARN Cc1ccc(CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 ZINC000000545889 209659607 /nfs/dbraw/zinc/65/96/07/209659607.db2.gz MJDRTFJFTNTODF-UHFFFAOYSA-N 0 0 336.460 4.709 50 30 EJEARN O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1ccco1 ZINC000023605803 202106175 /nfs/dbraw/zinc/10/61/75/202106175.db2.gz RMJOXKDIGXSMGX-RGVLZGJSSA-N 0 0 340.766 4.642 50 30 EJEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(Cl)c1 ZINC000037541400 213154050 /nfs/dbraw/zinc/15/40/50/213154050.db2.gz GNCKLFOKWHDWRU-UHFFFAOYSA-N 0 0 344.867 4.629 50 30 EJEARN CC(C)(C)C1CCC2(CC1)[C@H](C(=O)c1ccc(F)cc1)C2(C#N)C#N ZINC000000481864 209627874 /nfs/dbraw/zinc/62/78/74/209627874.db2.gz KNHCBGXWHJQQET-VDUSKEEQSA-N 0 0 338.426 4.894 50 30 EJEARN C=C(C)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000000453855 209610699 /nfs/dbraw/zinc/61/06/99/209610699.db2.gz KTGYUQPAEDXUPM-UHFFFAOYSA-N 0 0 334.415 4.956 50 30 EJEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)cc1 ZINC000036365599 213091016 /nfs/dbraw/zinc/09/10/16/213091016.db2.gz VYMSBRBDWGKJAO-INIZCTEOSA-N 0 0 348.793 4.521 50 30 EJEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc1 ZINC000036352854 213087882 /nfs/dbraw/zinc/08/78/82/213087882.db2.gz IHPPQMVMXPFVDA-AWEZNQCLSA-N 0 0 348.793 4.521 50 30 EJEARN CCCCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000032909665 202241840 /nfs/dbraw/zinc/24/18/40/202241840.db2.gz VBNBAQJOQAEKHI-UHFFFAOYSA-N 0 0 338.476 4.723 50 30 EJEARN COC(=O)c1ccc(/C=C2/CCC[C@@H](C3CCCCC3)C2=O)cc1 ZINC000033380688 212932621 /nfs/dbraw/zinc/93/26/21/212932621.db2.gz MCFAANRGORGRSI-BSKAQADGSA-N 0 0 326.436 4.806 50 30 EJEARN N#Cc1ccccc1CNc1ccccc1N1CCc2ccccc2C1 ZINC000032803988 212847076 /nfs/dbraw/zinc/84/70/76/212847076.db2.gz DSVPTSYCFLFYOX-UHFFFAOYSA-N 0 0 339.442 4.733 50 30 EJEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc3ccccc3o2)n1 ZINC000036774901 202331514 /nfs/dbraw/zinc/33/15/14/202331514.db2.gz XJCNMHOHJMHRTD-UHFFFAOYSA-N 0 0 349.337 4.714 50 30 EJEARN N#CCCCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000036802576 202332006 /nfs/dbraw/zinc/33/20/06/202332006.db2.gz SIWWRBLGWFTSLD-UHFFFAOYSA-N 0 0 329.425 4.893 50 30 EJEARN N#Cc1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCC2 ZINC000000401972 209570024 /nfs/dbraw/zinc/57/00/24/209570024.db2.gz WZJJQABTFHSBKK-UHFFFAOYSA-N 0 0 331.828 4.796 50 30 EJEARN COc1ccc([C@H]2C=C(c3ccccc3)OC3=C2C(=O)CCC3)cc1 ZINC000000227745 209497224 /nfs/dbraw/zinc/49/72/24/209497224.db2.gz MWTKMRYHZFVLFL-GOSISDBHSA-N 0 0 332.399 4.857 50 30 EJEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC3)cc1 ZINC000072406679 216197176 /nfs/dbraw/zinc/19/71/76/216197176.db2.gz CMAIBAODXIEAOV-QFIPXVFZSA-N 0 0 347.462 4.729 50 30 EJEARN N#Cc1c2c(c(NC3CCCCC3)n3c4ccccc4nc13)CCC2 ZINC000000135274 209443056 /nfs/dbraw/zinc/44/30/56/209443056.db2.gz RCCDCXJJXRCWHI-UHFFFAOYSA-N 0 0 330.435 4.592 50 30 EJEARN COc1ccccc1/C=C1\CCC/C(=C/c2ccccc2OC)C1=O ZINC000000070005 209399828 /nfs/dbraw/zinc/39/98/28/209399828.db2.gz LFFCQFHMMDURLU-KPNKYRRCSA-N 0 0 334.415 4.924 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1 ZINC000000045597 209388478 /nfs/dbraw/zinc/38/84/78/209388478.db2.gz ZUADKMCHGFIQCA-UHFFFAOYSA-N 0 0 326.403 4.974 50 30 EJEARN CCCOc1ccc2ccccc2c1CN(C)c1ncccc1C#N ZINC000026227182 212511496 /nfs/dbraw/zinc/51/14/96/212511496.db2.gz OIVWNFALUWNUCO-UHFFFAOYSA-N 0 0 331.419 4.532 50 30 EJEARN COc1ccc2c(c1)ncc(C#N)c2Nc1cccc(C(F)(F)F)c1 ZINC000045921301 202560244 /nfs/dbraw/zinc/56/02/44/202560244.db2.gz FSUOHCSQTZCISR-UHFFFAOYSA-N 0 0 343.308 4.877 50 30 EJEARN CCSc1sc(C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N ZINC000000124736 201438271 /nfs/dbraw/zinc/43/82/71/201438271.db2.gz ZDLLIKSBKBDCAH-UHFFFAOYSA-N 0 0 337.853 4.839 50 30 EJEARN Cc1ccc(C(=O)Nc2c(C#N)[nH]c3sc4c(c32)CCCC4)cc1 ZINC000000194046 201446442 /nfs/dbraw/zinc/44/64/42/201446442.db2.gz MTCVLASTHBNYRY-UHFFFAOYSA-N 0 0 335.432 4.541 50 30 EJEARN Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000000353736 201462491 /nfs/dbraw/zinc/46/24/91/201462491.db2.gz FUKSSBNALXGOLQ-UHFFFAOYSA-N 0 0 328.371 4.911 50 30 EJEARN N#Cc1cc2c(nc1SCC(=O)c1ccccc1)CCCCCC2 ZINC000000497232 201480809 /nfs/dbraw/zinc/48/08/09/201480809.db2.gz DSFFNHAYIKNYBP-UHFFFAOYSA-N 0 0 336.460 4.587 50 30 EJEARN N#C[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000001386067 201504676 /nfs/dbraw/zinc/50/46/76/201504676.db2.gz LMTHTRSFBFLKNZ-GFCCVEGCSA-N 0 0 347.727 4.957 50 30 EJEARN N#C[C@@H](c1ccccc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001400169 201507028 /nfs/dbraw/zinc/50/70/28/201507028.db2.gz OJEQMJHSCVGYTR-INIZCTEOSA-N 0 0 337.835 4.937 50 30 EJEARN O=C(/C=C/c1cccnc1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000004421492 201600634 /nfs/dbraw/zinc/60/06/34/201600634.db2.gz PYYDGFPOIRYRGD-SDNWHVSQSA-N 0 0 339.438 4.862 50 30 EJEARN C[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(C#N)cc1 ZINC000242302317 243018289 /nfs/dbraw/zinc/01/82/89/243018289.db2.gz YRKKKKPOVVHOQV-NSHDSACASA-N 0 0 345.324 4.569 50 30 EJEARN C[C@@H](NCc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(C#N)cc1 ZINC000242302316 243017091 /nfs/dbraw/zinc/01/70/91/243017091.db2.gz YRKKKKPOVVHOQV-LLVKDONJSA-N 0 0 345.324 4.569 50 30 EJEARN N#Cc1c(N)nc(-c2ccncc2)cc1-c1c(Cl)cccc1Cl ZINC000020266339 212114899 /nfs/dbraw/zinc/11/48/99/212114899.db2.gz ASKUQGVZHTVGMP-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN C=CCn1c(C)nnc1SCc1nc2ccccc2c2ccccc12 ZINC000020050563 212097701 /nfs/dbraw/zinc/09/77/01/212097701.db2.gz CDUOAPQSTWLCGQ-UHFFFAOYSA-N 0 0 346.459 4.766 50 30 EJEARN CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000019849684 212076676 /nfs/dbraw/zinc/07/66/76/212076676.db2.gz CSIWGPAQYAXNQI-UHFFFAOYSA-N 0 0 335.447 4.511 50 30 EJEARN CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccccc2)n1 ZINC000019820812 212072267 /nfs/dbraw/zinc/07/22/67/212072267.db2.gz YXNGBBMSQUFKOG-XJKSGUPXSA-N 0 0 338.480 4.728 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000019737333 212059531 /nfs/dbraw/zinc/05/95/31/212059531.db2.gz HCUPGODPZSFEIH-MRVPVSSYSA-N 0 0 330.240 4.573 50 30 EJEARN Clc1ccc2c(c1)nccc2NN=Cc1ccc(-n2ccnc2)cc1 ZINC000019630600 212052014 /nfs/dbraw/zinc/05/20/14/212052014.db2.gz RVMSJNPTTCNVQD-FSJBWODESA-N 0 0 347.809 4.520 50 30 EJEARN FC(F)(F)c1cccc(C/N=C/c2cccn2-c2nccs2)c1 ZINC000100407835 203993679 /nfs/dbraw/zinc/99/36/79/203993679.db2.gz RGGOVGSRCCILMK-RGVLZGJSSA-N 0 0 335.354 4.572 50 30 EJEARN N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccc(F)cc1 ZINC000016768494 211934516 /nfs/dbraw/zinc/93/45/16/211934516.db2.gz FWJQQTXJKCQPLW-BQYQJAHWSA-N 0 0 325.368 4.529 50 30 EJEARN C=CCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016750069 211933491 /nfs/dbraw/zinc/93/34/91/211933491.db2.gz FNDVCJHXVZGRSF-UHFFFAOYSA-N 0 0 344.823 4.767 50 30 EJEARN O=C1C=C(Nc2ccc(-c3ccccc3)cc2)c2ccccc2C1=O ZINC000016493171 211909483 /nfs/dbraw/zinc/90/94/83/211909483.db2.gz RNNXHNXSCLZVBA-UHFFFAOYSA-N 0 0 325.367 4.572 50 30 EJEARN CN1N=C(c2ccc3ccccc3c2)CS/C1=N\Cc1ccccc1 ZINC000015406198 211821486 /nfs/dbraw/zinc/82/14/86/211821486.db2.gz UIHHEGRJJKFTGL-DQRAZIAOSA-N 0 0 345.471 4.779 50 30 EJEARN CCOc1ccc(NC(=S)NCc2ccc3[nH]c(C)cc3c2)cc1 ZINC000013878824 211654763 /nfs/dbraw/zinc/65/47/63/211654763.db2.gz RNCUJZICUPVXCV-UHFFFAOYSA-N 0 0 339.464 4.773 50 30 EJEARN Cc1ccc(-c2nc(C#N)c(SCc3ccccc3C#N)o2)cc1 ZINC000170623818 206589846 /nfs/dbraw/zinc/58/98/46/206589846.db2.gz CFFXQBPPHISHDQ-UHFFFAOYSA-N 0 0 331.400 4.686 50 30 EJEARN CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000012412342 211372359 /nfs/dbraw/zinc/37/23/59/211372359.db2.gz UARPDTTYJTUWTI-BKUYFWCQSA-N 0 0 330.391 4.561 50 30 EJEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c(C)c1 ZINC000012032543 211281755 /nfs/dbraw/zinc/28/17/55/211281755.db2.gz JLDTWSOKPGRVKL-VCHYOVAHSA-N 0 0 347.443 4.676 50 30 EJEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c(C)c1 ZINC000012032548 211281069 /nfs/dbraw/zinc/28/10/69/211281069.db2.gz YKRNFADFCFXGBS-YBEGLDIGSA-N 0 0 342.851 4.848 50 30 EJEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 ZINC000011869118 211260711 /nfs/dbraw/zinc/26/07/11/211260711.db2.gz WCAUOAVDNIWQOT-UNOMPAQXSA-N 0 0 333.387 4.503 50 30 biogenic EJEARN CCOc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccccc13)C2=O ZINC000009423307 211082579 /nfs/dbraw/zinc/08/25/79/211082579.db2.gz XTBVLJLFSWOFPC-RGVLZGJSSA-N 0 0 333.387 4.676 50 30 EJEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000009089985 211038485 /nfs/dbraw/zinc/03/84/85/211038485.db2.gz VACBGWNEWYEGKL-ZSEKCTLFSA-N 0 0 334.419 4.527 50 30 EJEARN CCCCCCCCCCOC(=O)c1nsnc1Br ZINC000008385620 210944642 /nfs/dbraw/zinc/94/46/42/210944642.db2.gz NCBJNPMGCLEFFX-UHFFFAOYSA-N 0 0 349.294 4.598 50 30 EJEARN C=CCNc1nnc(S[C@H](C)c2nc3ccccc3s2)s1 ZINC000008131575 210898766 /nfs/dbraw/zinc/89/87/66/210898766.db2.gz DUPJRVDPLUDSBI-SECBINFHSA-N 0 0 334.495 4.599 50 30 EJEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000007606215 210818906 /nfs/dbraw/zinc/81/89/06/210818906.db2.gz WWZXFLHHSODGLG-AUUYWEPGSA-N 0 0 332.513 4.519 50 30 EJEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000006186658 210599235 /nfs/dbraw/zinc/59/92/35/210599235.db2.gz LTOGBPXOGJRUSK-UHFFFAOYSA-N 0 0 349.217 4.661 50 30 EJEARN C=CCSc1nc2ccsc2c(Oc2ccc(OC)cc2)n1 ZINC000005917512 210559552 /nfs/dbraw/zinc/55/95/52/210559552.db2.gz BRULUCGOBUEOFO-UHFFFAOYSA-N 0 0 330.434 4.770 50 30 EJEARN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005020052 210363922 /nfs/dbraw/zinc/36/39/22/210363922.db2.gz XLEJNUZHAKOELD-UHFFFAOYSA-N 0 0 345.402 4.848 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000004977100 210346605 /nfs/dbraw/zinc/34/66/05/210346605.db2.gz PSGVOCBEPUSBFJ-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCCC2 ZINC000004899342 210315858 /nfs/dbraw/zinc/31/58/58/210315858.db2.gz JFHIXANWPGTDEX-RGVLZGJSSA-N 0 0 343.448 4.568 50 30 EJEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccccc1 ZINC000004863162 210304397 /nfs/dbraw/zinc/30/43/97/210304397.db2.gz MEBSBNKWSNUCMP-PXLXIMEGSA-N 0 0 328.419 4.627 50 30 EJEARN C=CCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)S1 ZINC000004845245 210297453 /nfs/dbraw/zinc/29/74/53/210297453.db2.gz UXVAYUCJWAWCTD-XFFZJAGNSA-N 0 0 330.261 4.883 50 30 EJEARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000004838952 210294480 /nfs/dbraw/zinc/29/44/80/210294480.db2.gz AONOLVICTNQFDG-GORDUTHDSA-N 0 0 335.186 4.661 50 30 EJEARN CCNc1ccccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1=O ZINC000097474761 219028042 /nfs/dbraw/zinc/02/80/42/219028042.db2.gz VQYDOONYRPWYBI-FPLPWBNLSA-N 0 0 348.229 4.682 50 30 EJEARN CCC(C)(C)C1CCC(CC(=O)NC[C@@H](C)c2nncn2C)CC1 ZINC000330032694 258002067 /nfs/dbraw/zinc/00/20/67/258002067.db2.gz QZBZDVVYXCRIOU-QQFBHYJXSA-N 0 0 334.508 4.508 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cccs1 ZINC000017068113 258016694 /nfs/dbraw/zinc/01/66/94/258016694.db2.gz SORFKFNMGSPJFA-UHFFFAOYSA-N 0 0 331.441 4.624 50 30 EJEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 ZINC000002437778 258016709 /nfs/dbraw/zinc/01/67/09/258016709.db2.gz XLGQRKHUDZAQBB-UHFFFAOYSA-N 0 0 343.402 4.702 50 30 EJEARN N#CCOC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000007432054 258053127 /nfs/dbraw/zinc/05/31/27/258053127.db2.gz YWGCTJLFRRHSSY-UHFFFAOYSA-N 0 0 337.400 4.547 50 30 EJEARN Cc1nc2sccn2c1/C=C/C(=O)c1ccc(OCC(C)C)cc1 ZINC000012628523 258055156 /nfs/dbraw/zinc/05/51/56/258055156.db2.gz KGEDHLIOPBWDGR-CMDGGOBGSA-N 0 0 340.448 4.635 50 30 EJEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000013467539 258056218 /nfs/dbraw/zinc/05/62/18/258056218.db2.gz MDNGMSUEQHCTAJ-KTKRTIGZSA-N 0 0 325.261 4.533 50 30 EJEARN C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257345625 258073392 /nfs/dbraw/zinc/07/33/92/258073392.db2.gz DFRQHISHXQPKMU-PMHZBBCSSA-N 0 0 328.496 4.826 50 30 EJEARN C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346559 258073701 /nfs/dbraw/zinc/07/37/01/258073701.db2.gz QRBQTBMHAOMKGV-KDSFANJXSA-N 0 0 331.500 4.776 50 30 EJEARN Cc1ccc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)cc1 ZINC000000107115 135644660 /nfs/dbraw/zinc/64/46/60/135644660.db2.gz KJXQNCVIZPNHAO-HNNXBMFYSA-N 0 0 337.444 4.584 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC[C@@H]1C ZINC000005525975 135671994 /nfs/dbraw/zinc/67/19/94/135671994.db2.gz KEAGRABSVVFIMR-AWEZNQCLSA-N 0 0 332.451 4.609 50 30 EJEARN N#CCC[C@H](Nc1ncnc2sc3c(c21)CCC3)c1ccccc1 ZINC000164328168 226064751 /nfs/dbraw/zinc/06/47/51/226064751.db2.gz ZJFQCNKCTQORAA-HNNXBMFYSA-N 0 0 334.448 4.637 50 30 EJEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1 ZINC000002358091 517554886 /nfs/dbraw/zinc/55/48/86/517554886.db2.gz PRCAEBAMTZMASP-LJQANCHMSA-N 0 0 343.467 4.675 50 30 EJEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc2ccccc2c1 ZINC000096766530 518138573 /nfs/dbraw/zinc/13/85/73/518138573.db2.gz QUULHXDVNHVANC-KHPPLWFESA-N 0 0 348.398 4.762 50 30 EJEARN C=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1 ZINC000002983953 519135643 /nfs/dbraw/zinc/13/56/43/519135643.db2.gz CLYPHAISSQKVLO-UHFFFAOYSA-N 0 0 342.435 4.589 50 30 EJEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000000523693 519242188 /nfs/dbraw/zinc/24/21/88/519242188.db2.gz ARYNUZVQGHJHCT-UHFFFAOYSA-N 0 0 331.828 4.670 50 30 EJEARN CCCCCCOc1ccccc1/C=C1\N=C(SC)SC1=O ZINC000002073707 520107613 /nfs/dbraw/zinc/10/76/13/520107613.db2.gz ULAVIBYRGZOFPC-OWBHPGMISA-N 0 0 335.494 4.979 50 30 EJEARN CCOc1ccc(-c2nc(N=NCc3ccco3)sc2C)cc1 ZINC000004857607 520820681 /nfs/dbraw/zinc/82/06/81/520820681.db2.gz GXEOWQXHALIGNR-WOJGMQOQSA-N 0 0 327.409 4.556 50 30 EJEARN CCCc1sc(N=NCc2cccnc2)nc1-c1ccc(F)cc1 ZINC000004893249 521613395 /nfs/dbraw/zinc/61/33/95/521613395.db2.gz WKZWSGQEYRUOBI-CIAFOILYSA-N 0 0 340.427 4.743 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cc(OC)c1O ZINC000008322113 521937630 /nfs/dbraw/zinc/93/76/30/521937630.db2.gz YCHRDJFSXPNTKR-JXMROGBWSA-N 0 0 340.419 4.504 50 30 EJEARN CC[C@@H](C)c1ccc2oc(=O)c(CC(=O)c3ccc(C)cc3)nc2c1 ZINC000101355906 522432265 /nfs/dbraw/zinc/43/22/65/522432265.db2.gz NQSJVMPXCJYOBH-CRRKTRLDSA-N 0 0 335.403 4.606 50 30 EJEARN COc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000005006633 523537876 /nfs/dbraw/zinc/53/78/76/523537876.db2.gz DVXQULDNLOPVAL-PKNBQFBNSA-N 0 0 349.342 4.760 50 30 EJEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccco3)cc2)c1 ZINC000015906594 524216027 /nfs/dbraw/zinc/21/60/27/524216027.db2.gz VXTQMPIZUMQZOU-VAWYXSNFSA-N 0 0 331.371 4.736 50 30 EJEARN Cc1ccc(N(CCC#N)C(=O)CSc2ccc(C)cc2C)cc1 ZINC000002624724 524897470 /nfs/dbraw/zinc/89/74/70/524897470.db2.gz SEMSZFLHGXPFLY-UHFFFAOYSA-N 0 0 338.476 4.651 50 30 EJEARN Cc1cc(OC(F)F)ccc1NC(=S)NCCc1ccccc1 ZINC000000609067 525357457 /nfs/dbraw/zinc/35/74/57/525357457.db2.gz UXNAUVLONWWUOP-UHFFFAOYSA-N 0 0 336.407 4.537 50 30 EJEARN COc1cccc(CN=Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 ZINC000004356983 525772567 /nfs/dbraw/zinc/77/25/67/525772567.db2.gz GKWRFXAGWBCPET-KEBDBYFISA-N 0 0 341.411 4.712 50 30 EJEARN Cc1cn2c(/C=C/C(=O)c3ccc(OC(F)F)cc3)c(C)nc2s1 ZINC000012525348 525912580 /nfs/dbraw/zinc/91/25/80/525912580.db2.gz IONILFGICUFVPL-BQYQJAHWSA-N 0 0 348.374 4.510 50 30 EJEARN N#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000002625173 526450249 /nfs/dbraw/zinc/45/02/49/526450249.db2.gz KOWXWTFCHMTWJZ-UHFFFAOYSA-N 0 0 348.830 4.518 50 30 EJEARN N#C[C@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 ZINC000041502648 526509207 /nfs/dbraw/zinc/50/92/07/526509207.db2.gz MEJYTQLRVWTAQJ-MRXNPFEDSA-N 0 0 343.411 4.577 50 30 EJEARN O=C(/C=C/c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC000004691518 527612796 /nfs/dbraw/zinc/61/27/96/527612796.db2.gz MJCTYCOEXTXFBP-DTQAZKPQSA-N 0 0 341.410 4.764 50 30 EJEARN O=C(/C=C/c1cccc(NC(=O)Cc2cccs2)c1)c1ccccc1 ZINC000004030612 527626738 /nfs/dbraw/zinc/62/67/38/527626738.db2.gz IGSYBHVZLIKJQK-VAWYXSNFSA-N 0 0 347.439 4.825 50 30 EJEARN O=C(/C=C/c1ccccc1)c1cncc(C(=O)/C=C\c2ccccc2)c1 ZINC000025692218 527633928 /nfs/dbraw/zinc/63/39/28/527633928.db2.gz QYNXGJWHULMPBU-HEEUSZRZSA-N 0 0 339.394 4.874 50 30 EJEARN O=C(/C=C\c1ccccc1)c1cncc(C(=O)/C=C\c2ccccc2)c1 ZINC000033416838 527657970 /nfs/dbraw/zinc/65/79/70/527657970.db2.gz QYNXGJWHULMPBU-XSYHWHKQSA-N 0 0 339.394 4.874 50 30 EJEARN CSc1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044843404 564027422 /nfs/dbraw/zinc/02/74/22/564027422.db2.gz KRXSTAFGSXIENK-MDZDMXLPSA-N 0 0 348.265 4.980 50 30 EJEARN Cc1cc(F)ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000044843493 564027423 /nfs/dbraw/zinc/02/74/23/564027423.db2.gz CEGUWSXEAFSUET-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN COc1c(Cl)cc(Cl)cc1/C=N/C1=NN(c2ccccc2)CC1 ZINC000000085573 563220045 /nfs/dbraw/zinc/22/00/45/563220045.db2.gz OWXZUTOEMOGJFC-RGVLZGJSSA-N 0 0 348.233 4.645 50 30 EJEARN COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000000095962 563224246 /nfs/dbraw/zinc/22/42/46/563224246.db2.gz ILERONFTKYUXOY-DJKKODMXSA-N 0 0 340.206 4.770 50 30 EJEARN O=[N+]([O-])c1ccccc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000000356487 563291163 /nfs/dbraw/zinc/29/11/63/563291163.db2.gz KALCAHZKOVQPIH-LZYBPNLTSA-N 0 0 339.576 4.761 50 30 EJEARN COc1cc(/N=C/c2ccc(C)cc2)ccc1NC(=O)c1ccco1 ZINC000000361071 563293762 /nfs/dbraw/zinc/29/37/62/563293762.db2.gz JZMYUBCNDCUUCF-FYJGNVAPSA-N 0 0 334.375 4.600 50 30 EJEARN Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C/c1ccccc1 ZINC000000437970 563313361 /nfs/dbraw/zinc/31/33/61/563313361.db2.gz FQPSUUKKOZBSQH-LFVJCYFKSA-N 0 0 338.414 4.682 50 30 EJEARN O=C(C=CNc1ccc(Br)cc1Cl)c1ccco1 ZINC000000608687 563352443 /nfs/dbraw/zinc/35/24/43/563352443.db2.gz ZLZGLHCHFWCSKR-AATRIKPKSA-N 0 0 326.577 4.504 50 30 EJEARN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccco1 ZINC000000616520 563358495 /nfs/dbraw/zinc/35/84/95/563358495.db2.gz IRJIDWZUQACWOO-AATRIKPKSA-N 0 0 326.577 4.504 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1C ZINC000002128729 563423300 /nfs/dbraw/zinc/42/33/00/563423300.db2.gz NZKPNRPWPABLAI-ZRDIBKRKSA-N 0 0 346.224 4.662 50 30 EJEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002299997 563428824 /nfs/dbraw/zinc/42/88/24/563428824.db2.gz TULKAGVGEUTIOV-FMIVXFBMSA-N 0 0 330.771 4.755 50 30 EJEARN O=C(Nc1cccc2ccccc21)C(F)(F)C(F)(F)C(F)(F)F ZINC000002313166 563429040 /nfs/dbraw/zinc/42/90/40/563429040.db2.gz VERASNSGCMSQDX-UHFFFAOYSA-N 0 0 339.210 4.611 50 30 EJEARN Cc1ccc(C=NOC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000002532681 563439888 /nfs/dbraw/zinc/43/98/88/563439888.db2.gz FIDOIKMBFFPOCY-UFFVCSGVSA-N 0 0 336.313 4.905 50 30 EJEARN CCCCc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000002564941 563441943 /nfs/dbraw/zinc/44/19/43/563441943.db2.gz OAXFZZLPWNLNKH-UHFFFAOYSA-N 0 0 339.822 4.971 50 30 EJEARN Cc1cccc(NC(=S)N/N=C/c2cccc(Cl)c2Cl)c1 ZINC000002571724 563442488 /nfs/dbraw/zinc/44/24/88/563442488.db2.gz DBKYHODXFYXXPK-GIJQJNRQSA-N 0 0 338.263 4.622 50 30 EJEARN C=CCOc1cccc(-c2nc(C(=O)Nc3ccccc3)cs2)c1 ZINC000034712699 563451242 /nfs/dbraw/zinc/45/12/42/563451242.db2.gz BROORRSFCLUYNN-UHFFFAOYSA-N 0 0 336.416 4.627 50 30 EJEARN Cc1ccccc1/C=C1\N=C(SCc2ccccc2)SC1=O ZINC000002821983 563452929 /nfs/dbraw/zinc/45/29/29/563452929.db2.gz APXJYHWKCSBXBV-WJDWOHSUSA-N 0 0 325.458 4.899 50 30 EJEARN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(Br)c1 ZINC000002993742 563468524 /nfs/dbraw/zinc/46/85/24/563468524.db2.gz FNYVZZITGJXFLM-JLHYYAGUSA-N 0 0 330.225 4.956 50 30 EJEARN O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000004309794 563499782 /nfs/dbraw/zinc/49/97/82/563499782.db2.gz UOQCBZKMQVBVQM-AATRIKPKSA-N 0 0 335.186 4.661 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000004551219 563505020 /nfs/dbraw/zinc/50/50/20/563505020.db2.gz CXVQBLOKJFKIHI-KGENOOAVSA-N 0 0 347.374 4.620 50 30 EJEARN O=C(C=CNCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004565783 563505324 /nfs/dbraw/zinc/50/53/24/563505324.db2.gz NIDKVAGDOLCQAR-CCEZHUSRSA-N 0 0 331.390 4.979 50 30 EJEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004663511 563506956 /nfs/dbraw/zinc/50/69/56/563506956.db2.gz NUQXBDNWMNKSSV-ZSEKCTLFSA-N 0 0 346.386 4.852 50 30 EJEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccccc2)C1 ZINC000004741836 563510034 /nfs/dbraw/zinc/51/00/34/563510034.db2.gz OKTIHISGPSWLGV-FQEVSTJZSA-N 0 0 343.430 4.694 50 30 EJEARN O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2ccc(Cl)cc2)c1 ZINC000005714761 563547058 /nfs/dbraw/zinc/54/70/58/563547058.db2.gz MAHPMFDJPFLVSD-QGMBQPNBSA-N 0 0 326.686 4.600 50 30 EJEARN Cc1cc2c(cc1C)N[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006492260 563570026 /nfs/dbraw/zinc/57/00/26/563570026.db2.gz QCQSHKHYILHMFE-OAQYLSRUSA-N 0 0 347.462 4.920 50 30 EJEARN O=C(CCc1ccccc1)ON=C1c2ccccc2-c2ccccc21 ZINC000003042453 563629337 /nfs/dbraw/zinc/62/93/37/563629337.db2.gz CSZHFMBLPAOZQO-UHFFFAOYSA-N 0 0 327.383 4.595 50 30 EJEARN CCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000008396122 563629364 /nfs/dbraw/zinc/62/93/64/563629364.db2.gz XFCZOXZURUPSNY-WYMLVPIESA-N 0 0 333.472 4.584 50 30 EJEARN C[C@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@@H]1C ZINC000027018759 563894450 /nfs/dbraw/zinc/89/44/50/563894450.db2.gz INHNHGUBWMXLHV-IXLXFKMGSA-N 0 0 344.414 4.772 50 30 EJEARN CSc1ccc(CN=Nc2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000028467661 563903143 /nfs/dbraw/zinc/90/31/43/563903143.db2.gz RAAYNHPJBVVURM-CIAFOILYSA-N 0 0 348.431 4.690 50 30 EJEARN O=C(NCc1nc(-c2ccccc2)cs1)NC1(c2ccccc2)CC1 ZINC000000608804 563917616 /nfs/dbraw/zinc/91/76/16/563917616.db2.gz JRBLARJGXZMKIU-UHFFFAOYSA-N 0 0 349.459 4.503 50 30 EJEARN C=CCNc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N ZINC000033027072 563930743 /nfs/dbraw/zinc/93/07/43/563930743.db2.gz PZWLQLRUFSDMJB-UHFFFAOYSA-N 0 0 349.390 4.600 50 30 EJEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)c1 ZINC000033027034 563930758 /nfs/dbraw/zinc/93/07/58/563930758.db2.gz UMCPJUPPCDKZBW-UHFFFAOYSA-N 0 0 349.390 4.576 50 30 EJEARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013689240 563931774 /nfs/dbraw/zinc/93/17/74/563931774.db2.gz WEDSPTUXKVAVTR-MRXNPFEDSA-N 0 0 342.826 4.837 50 30 EJEARN Cc1sc2ncnc(N=NCc3cccc4ccccc43)c2c1C ZINC000004680623 563963979 /nfs/dbraw/zinc/96/39/79/563963979.db2.gz VYWYSUXDKGYOCW-LSHDLFTRSA-N 0 0 332.432 4.907 50 30 EJEARN CCCCCCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000098045176 563971704 /nfs/dbraw/zinc/97/17/04/563971704.db2.gz SQAYTZALIOMJDS-UHFFFAOYSA-N 0 0 347.484 4.596 50 30 EJEARN CCCCCCCNC(=O)c1csc(Nc2ccc(C)cc2)n1 ZINC000098045179 563971708 /nfs/dbraw/zinc/97/17/08/563971708.db2.gz KACYOOATUNQORC-UHFFFAOYSA-N 0 0 331.485 4.895 50 30 EJEARN N#Cc1c(NC(=O)CSc2ccccc2)sc2c1CCCCC2 ZINC000004749800 563972948 /nfs/dbraw/zinc/97/29/48/563972948.db2.gz ZMWCPHHTIUBXAM-UHFFFAOYSA-N 0 0 342.489 4.619 50 30 EJEARN N#Cc1c(NC(=O)/C=C\c2ccc(F)cc2)sc2c1CCCCC2 ZINC000033288783 563972987 /nfs/dbraw/zinc/97/29/87/563972987.db2.gz VOCZEQDEGDUZOQ-FLIBITNWSA-N 0 0 340.423 4.680 50 30 EJEARN Cc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000033291165 563973050 /nfs/dbraw/zinc/97/30/50/563973050.db2.gz HXSCPXCKEDXDKT-SEKXJNOLSA-N 0 0 345.486 4.902 50 30 EJEARN Clc1cc(Cl)c(/C=N/N=C/c2cnc(Cl)cc2Cl)cn1 ZINC000091302291 563975241 /nfs/dbraw/zinc/97/52/41/563975241.db2.gz UCFSTFZPQWYXQW-OGBZJDJUSA-N 0 0 348.020 4.543 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)Nc1ccc3ncccc3c12 ZINC000000089212 563976459 /nfs/dbraw/zinc/97/64/59/563976459.db2.gz FNKTUJOPVMRUQM-JOCHJYFZSA-N 0 0 342.398 4.614 50 30 EJEARN CCCCCCCCCCCc1nnc(SC(=O)N(C)C)n1C ZINC000095704507 563977610 /nfs/dbraw/zinc/97/76/10/563977610.db2.gz YVNUDIPBUULRGX-UHFFFAOYSA-N 0 0 340.537 4.662 50 30 EJEARN CCCCCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000097941856 563982136 /nfs/dbraw/zinc/98/21/36/563982136.db2.gz LIEMBYOWJWHMJP-UHFFFAOYSA-N 0 0 338.451 4.639 50 30 EJEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000000255266 563989546 /nfs/dbraw/zinc/98/95/46/563989546.db2.gz CLKMPJCHXAPNFI-FYJGNVAPSA-N 0 0 342.358 4.684 50 30 EJEARN CCN(CC)c1ccc(/C=N/c2sc(C)c(C)c2C#N)c(O)c1 ZINC000000268138 563990015 /nfs/dbraw/zinc/99/00/15/563990015.db2.gz USYDCHJEILWAGB-RGVLZGJSSA-N 0 0 327.453 4.539 50 30 EJEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)nc2)n1 ZINC000000377646 563991888 /nfs/dbraw/zinc/99/18/88/563991888.db2.gz GNFUZYQLUOCFAV-UHFFFAOYSA-N 0 0 343.761 4.621 50 30 EJEARN COc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 ZINC000004957574 563993326 /nfs/dbraw/zinc/99/33/26/563993326.db2.gz ZYYWEBGPRFGCRD-GHRIWEEISA-N 0 0 345.354 4.853 50 30 EJEARN Fc1ccccc1-c1nc2ccccc2c(N=NCc2ccccc2)n1 ZINC000005024696 563993827 /nfs/dbraw/zinc/99/38/27/563993827.db2.gz FJUMNVFTKOJRDO-OEAKJJBVSA-N 0 0 342.377 4.882 50 30 EJEARN CCOc1nc2c(c(-c3cccs3)c1C#N)CCc1ccccc1-2 ZINC000012967952 563993928 /nfs/dbraw/zinc/99/39/28/563993928.db2.gz GYPCNEWIQBDSGQ-UHFFFAOYSA-N 0 0 332.428 4.846 50 30 EJEARN N#CCCSc1ccccc1NC(=O)[C@H]1CCCc2sccc21 ZINC000124008736 563995093 /nfs/dbraw/zinc/99/50/93/563995093.db2.gz RSJLWRCJJSGRLF-AWEZNQCLSA-N 0 0 342.489 4.812 50 30 EJEARN Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000001932250 564003639 /nfs/dbraw/zinc/00/36/39/564003639.db2.gz WADKMTSCEMBLDU-UHFFFAOYSA-N 0 0 342.489 4.538 50 30 EJEARN CCCCCCN1CCc2c1n1c3ccccc3nc1c(C#N)c2C ZINC000005499169 564004756 /nfs/dbraw/zinc/00/47/56/564004756.db2.gz JZIPWWRAFZJKNC-UHFFFAOYSA-N 0 0 332.451 4.610 50 30 EJEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000006048127 564006299 /nfs/dbraw/zinc/00/62/99/564006299.db2.gz NENWTIMELVGFAW-ORCRQEGFSA-N 0 0 335.186 4.661 50 30 EJEARN CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607414 564006319 /nfs/dbraw/zinc/00/63/19/564006319.db2.gz PDGUJALMCBZDBF-UHFFFAOYSA-N 0 0 338.480 4.790 50 30 EJEARN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O ZINC000018272353 564019124 /nfs/dbraw/zinc/01/91/24/564019124.db2.gz GFAWRJQPLXEXTM-WQRHYEAKSA-N 0 0 347.443 4.676 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)cc1 ZINC000000504016 564019262 /nfs/dbraw/zinc/01/92/62/564019262.db2.gz CGGKVABQIJVMHH-FYJGNVAPSA-N 0 0 342.358 4.660 50 30 EJEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(OC)cc2)o1 ZINC000101411335 564019435 /nfs/dbraw/zinc/01/94/35/564019435.db2.gz GYTCHWKJFVBNGR-KGENOOAVSA-N 0 0 340.427 4.514 50 30 EJEARN CCCC(=O)C1=C(NCc2ccccc2)C[C@@H](c2ccccc2)CC1=O ZINC000102174980 564019896 /nfs/dbraw/zinc/01/98/96/564019896.db2.gz VPSVLRKVNJPNHL-LJQANCHMSA-N 0 0 347.458 4.546 50 30 EJEARN Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(C)cc2)cc1 ZINC000000514240 564020448 /nfs/dbraw/zinc/02/04/48/564020448.db2.gz OUNKUJZKODQHQU-UHFFFAOYSA-N 0 0 347.443 4.745 50 30 EJEARN CCc1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000102965847 564021005 /nfs/dbraw/zinc/02/10/05/564021005.db2.gz SJURZDKLKPIRFQ-QXMHVHEDSA-N 0 0 330.225 4.820 50 30 EJEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCC1 ZINC000000551417 564022974 /nfs/dbraw/zinc/02/29/74/564022974.db2.gz QSZYBKPFUJHWJJ-UHFFFAOYSA-N 0 0 330.435 4.751 50 30 EJEARN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1 ZINC000104267283 564023810 /nfs/dbraw/zinc/02/38/10/564023810.db2.gz QPWAMYDVOZANFQ-KAMYIIQDSA-N 0 0 346.224 4.743 50 30 EJEARN COc1ccc(C(=O)C=C(C)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000104277263 564023824 /nfs/dbraw/zinc/02/38/24/564023824.db2.gz AUBFOXTXSGQEBV-BENRWUELSA-N 0 0 335.325 4.913 50 30 EJEARN N#Cc1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2 ZINC000000572676 564023920 /nfs/dbraw/zinc/02/39/20/564023920.db2.gz NTFPHFDEZSCPFN-UHFFFAOYSA-N 0 0 330.840 4.794 50 30 EJEARN CC(C)(C)[C@@H]1C/C(=C\c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 ZINC000245226314 564024481 /nfs/dbraw/zinc/02/44/81/564024481.db2.gz QHULEUBLJXAJBQ-OUFAVVDRSA-N 0 0 332.447 4.969 50 30 EJEARN CN(C)c1ccc(/C=C2\CCCC(=C3SCCCS3)C2=O)cc1 ZINC000051329706 564025161 /nfs/dbraw/zinc/02/51/61/564025161.db2.gz YRBKXAJHFOSLIW-FYWRMAATSA-N 0 0 345.533 4.971 50 30 EJEARN CN(CCC#N)c1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000012249765 564033212 /nfs/dbraw/zinc/03/32/12/564033212.db2.gz RBMWRRRBTPKUCE-VQHVLOKHSA-N 0 0 330.840 4.647 50 30 EJEARN C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000002876121 564036036 /nfs/dbraw/zinc/03/60/36/564036036.db2.gz HGSFXMUCPMNWST-NRFANRHFSA-N 0 0 335.447 4.913 50 30 EJEARN Cc1cc(/C=C/c2ccc(Br)cc2)c(C#N)c(=S)[nH]1 ZINC000000936519 564053321 /nfs/dbraw/zinc/05/33/21/564053321.db2.gz IYQXKJLXAYRQED-GORDUTHDSA-N 0 0 331.238 4.857 50 30 EJEARN COC(=O)Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C#N ZINC000001055023 564054246 /nfs/dbraw/zinc/05/42/46/564054246.db2.gz YKHVJSPLYKLIEA-UHFFFAOYSA-N 0 0 327.192 4.772 50 30 EJEARN CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257359375 564056010 /nfs/dbraw/zinc/05/60/10/564056010.db2.gz ZWROBJVXVCFTAR-LRHPIFBUSA-N 0 0 333.516 4.856 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000257359285 564056012 /nfs/dbraw/zinc/05/60/12/564056012.db2.gz ZJTSNYHPKIGSEQ-NSDFKKGISA-N 0 0 328.496 4.970 50 30 EJEARN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004024151 564061058 /nfs/dbraw/zinc/06/10/58/564061058.db2.gz JYYRDDFNMDZIIP-SMWISZJMSA-N 0 0 328.496 4.970 50 30 biogenic EJEARN CC(C)Nc1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393431 564064435 /nfs/dbraw/zinc/06/44/35/564064435.db2.gz NXOIEIFVSLYUNR-UHFFFAOYSA-N 0 0 349.825 4.551 50 30 EJEARN N#Cc1c2nc(C3CCCCC3)nn2ccc1-c1ccc(Cl)cc1 ZINC000001396370 564064446 /nfs/dbraw/zinc/06/44/46/564064446.db2.gz NOYCLQAABKIYGL-UHFFFAOYSA-N 0 0 336.826 4.969 50 30 aggregator EJEARN CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C ZINC000084671116 564069563 /nfs/dbraw/zinc/06/95/63/564069563.db2.gz LTWQZVNMZDTDFL-LEWJYISDSA-N 0 0 344.458 4.658 50 30 EJEARN C=C(C)COc1cc(OCC(=C)C)c2c(c1)oc(=O)c1ccccc12 ZINC000000389356 564074518 /nfs/dbraw/zinc/07/45/18/564074518.db2.gz NNICQMBEDDIGNZ-UHFFFAOYSA-N 0 0 336.387 4.856 50 30 EJEARN N#CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000001752690 564076053 /nfs/dbraw/zinc/07/60/53/564076053.db2.gz LKDGIFJXNSBNJG-UHFFFAOYSA-N 0 0 339.361 4.786 50 30 EJEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346331 564076571 /nfs/dbraw/zinc/07/65/71/564076571.db2.gz YJSXWOYIDNPTIW-UKJJSRPSSA-N 0 0 344.495 4.808 50 30 EJEARN Cc1cccc([C@@H]2CCCN2c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000150933628 564077663 /nfs/dbraw/zinc/07/76/63/564077663.db2.gz OYSHWWATJCURNF-KRWDZBQOSA-N 0 0 331.341 4.622 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC ZINC000006510699 564079258 /nfs/dbraw/zinc/07/92/58/564079258.db2.gz OULSJLUMDHMDGH-SOFGYWHQSA-N 0 0 330.811 4.870 50 30 EJEARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3cccc(F)c3C#N)n2)c1 ZINC000075094650 564079974 /nfs/dbraw/zinc/07/99/74/564079974.db2.gz CUYOKYBHVYWIAH-HXUWFJFHSA-N 0 0 346.409 4.737 50 30 EJEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006401305 564085584 /nfs/dbraw/zinc/08/55/84/564085584.db2.gz WAAKNLDSVHUZET-MRXNPFEDSA-N 0 0 342.398 4.631 50 30 EJEARN Cc1cc(SCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000006465927 564089431 /nfs/dbraw/zinc/08/94/31/564089431.db2.gz SMJMUHPWVKRJLI-UHFFFAOYSA-N 0 0 329.428 4.960 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(F)F ZINC000006487504 564090184 /nfs/dbraw/zinc/09/01/84/564090184.db2.gz MTSROBVDZIZPSH-UXBLZVDNSA-N 0 0 332.346 4.891 50 30 EJEARN Cc1c(C(=O)c2ccc(F)cc2Cl)c2ccccn2c1CCC#N ZINC000006550084 564091890 /nfs/dbraw/zinc/09/18/90/564091890.db2.gz BVNOQDIYXAVXSI-UHFFFAOYSA-N 0 0 340.785 4.727 50 30 EJEARN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O ZINC000016661700 564092206 /nfs/dbraw/zinc/09/22/06/564092206.db2.gz PQJZDZLDUCXUIF-PYEASBQRSA-N 0 0 334.444 4.833 50 30 EJEARN COc1ccc2cc(/C=C/C(=O)c3ccc(F)cc3)c(Cl)nc2c1 ZINC000065532275 564107166 /nfs/dbraw/zinc/10/71/66/564107166.db2.gz RPCNWPRRWGMHKP-WEVVVXLNSA-N 0 0 341.769 4.932 50 30 EJEARN COc1ccc2cc(CNc3cc(C#N)c4ccccc4n3)ccc2c1 ZINC000170633256 564116419 /nfs/dbraw/zinc/11/64/19/564116419.db2.gz OKUDNZOZYJSMSB-UHFFFAOYSA-N 0 0 339.398 4.880 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254347118 564118016 /nfs/dbraw/zinc/11/80/16/564118016.db2.gz FRCNDHZJYALSFS-DOHUHWCYSA-N 0 0 328.496 4.539 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000252460260 564118666 /nfs/dbraw/zinc/11/86/66/564118666.db2.gz CXVQBLOKJFKIHI-UHFFFAOYSA-N 0 0 347.374 4.620 50 30 EJEARN Cc1ccc([N+](=O)[O-])cc1N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000252592246 564120969 /nfs/dbraw/zinc/12/09/69/564120969.db2.gz BEAQFEMKEUFOIU-PNYPWGEASA-N 0 0 335.407 4.917 50 30 EJEARN Cc1ccc2[nH]c3c(c2c1)CCCC3=NN=Cc1ccc(N(C)C)cc1 ZINC000252605655 564121239 /nfs/dbraw/zinc/12/12/39/564121239.db2.gz GLGYDQXINMDWDW-UHFFFAOYSA-N 0 0 344.462 4.702 50 30 EJEARN Cc1cc(O)cc(O)c1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252606511 564121305 /nfs/dbraw/zinc/12/13/05/564121305.db2.gz GTAAISQGVGTZOT-UHFFFAOYSA-N 0 0 344.370 4.965 50 30 EJEARN Cc1ccnc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000252610558 564121426 /nfs/dbraw/zinc/12/14/26/564121426.db2.gz ICOGCMZILUBVSU-UHFFFAOYSA-N 0 0 340.471 4.532 50 30 EJEARN CCc1ccc(N=C2S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 ZINC000252613961 564121989 /nfs/dbraw/zinc/12/19/89/564121989.db2.gz JFQMFQZKSTXVSI-SCWWSTLWSA-N 0 0 340.423 4.622 50 30 EJEARN COc1ccc(C=Nc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000252615913 564122056 /nfs/dbraw/zinc/12/20/56/564122056.db2.gz JWOGVXUNWRZTOC-UHFFFAOYSA-N 0 0 348.377 4.837 50 30 EJEARN COc1cc(N=C/C=C/c2ccccc2)ccc1NC(=O)c1ccco1 ZINC000252620004 564122322 /nfs/dbraw/zinc/12/23/22/564122322.db2.gz LVVINWDEQSMEHS-KAZNILSVSA-N 0 0 346.386 4.956 50 30 EJEARN CCOC(=O)c1ccc(-c2ccc(C=Nc3ccc(O)cc3)o2)cc1 ZINC000252621040 564122848 /nfs/dbraw/zinc/12/28/48/564122848.db2.gz MRPYMRCXGWFCPC-UHFFFAOYSA-N 0 0 335.359 4.580 50 30 EJEARN CCCCCn1c2ccccc2nc1N=Cc1nc2ccccc2n1C ZINC000252678921 564124920 /nfs/dbraw/zinc/12/49/20/564124920.db2.gz HQQWOKZDOOXGOK-UHFFFAOYSA-N 0 0 345.450 4.864 50 30 EJEARN C[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@]1(O)c1ccccc1 ZINC000002143314 564130100 /nfs/dbraw/zinc/13/01/00/564130100.db2.gz RUFRUYRQDZSWAT-MZNJEOGPSA-N 0 0 340.422 4.704 50 30 EJEARN N#Cc1ccc(-c2cccs2)nc1SCCOc1ccccc1 ZINC000002318456 564132170 /nfs/dbraw/zinc/13/21/70/564132170.db2.gz PJQGQTMWHQVGNE-UHFFFAOYSA-N 0 0 338.457 4.853 50 30 EJEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=N\O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253499680 564132743 /nfs/dbraw/zinc/13/27/43/564132743.db2.gz MAIMKJVHBJVMBS-IFJMAACASA-N 0 0 347.499 4.791 50 30 biogenic EJEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=N\O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253499682 564132753 /nfs/dbraw/zinc/13/27/53/564132753.db2.gz MAIMKJVHBJVMBS-WMLVWILJSA-N 0 0 347.499 4.791 50 30 biogenic EJEARN CC[C@@H](C)S(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N ZINC000000125106 564132858 /nfs/dbraw/zinc/13/28/58/564132858.db2.gz ZNEORAWGNSFKQW-SNVBAGLBSA-N 0 0 339.869 4.512 50 30 EJEARN N#Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000000188732 564132982 /nfs/dbraw/zinc/13/29/82/564132982.db2.gz PSTZKQQLLLPSDI-NRFANRHFSA-N 0 0 338.410 4.503 50 30 EJEARN N#Cc1ccccc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000285752 564133078 /nfs/dbraw/zinc/13/30/78/564133078.db2.gz PGPLDYHRFMGCLJ-FQEVSTJZSA-N 0 0 338.410 4.503 50 30 EJEARN CCOc1ccc(Nc2oc(-c3ccc(OCC)cc3)nc2C#N)cc1 ZINC000000468007 564133282 /nfs/dbraw/zinc/13/32/82/564133282.db2.gz BLEFGFLSIDNQJB-UHFFFAOYSA-N 0 0 349.390 4.754 50 30 EJEARN Cc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCC2)cc1C ZINC000000556268 564133389 /nfs/dbraw/zinc/13/33/89/564133389.db2.gz YSSZXFRKVLUKKC-UHFFFAOYSA-N 0 0 331.419 4.829 50 30 EJEARN N#Cc1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCC2 ZINC000000566947 564133442 /nfs/dbraw/zinc/13/34/42/564133442.db2.gz IVYMERXCJZUFCB-UHFFFAOYSA-N 0 0 332.428 4.904 50 30 EJEARN Cc1[nH]c2c(c3nc4ccccc4c1-3)C(=NNC(C)C)CC(C)(C)C2 ZINC000012657156 564135461 /nfs/dbraw/zinc/13/54/61/564135461.db2.gz PSLXJTTUSWCHCD-KOEQRZSOSA-N 0 0 334.467 4.699 50 30 biogenic EJEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000012960229 564135737 /nfs/dbraw/zinc/13/57/37/564135737.db2.gz CJPMJZUDIRCUIC-OCKHKDLRSA-N 0 0 337.206 4.525 50 30 EJEARN N#Cc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 ZINC000012999310 564135872 /nfs/dbraw/zinc/13/58/72/564135872.db2.gz UOZPAWMBBOHMSX-UHFFFAOYSA-N 0 0 338.457 4.524 50 30 EJEARN O=C(/C=C/c1ccco1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000013013668 564135895 /nfs/dbraw/zinc/13/58/95/564135895.db2.gz ULEGWCXQJUALAS-OUKQBFOZSA-N 0 0 341.366 4.684 50 30 EJEARN Cc1sc(NC(=O)c2ccccc2F)c(C#N)c1-c1ccccc1 ZINC000013327798 564136231 /nfs/dbraw/zinc/13/62/31/564136231.db2.gz CGIQRPPVONXPJS-UHFFFAOYSA-N 0 0 336.391 4.987 50 30 EJEARN Cc1cccc(Cl)c1NC(=O)N1CCC(c2nccs2)CC1 ZINC000328594579 564136791 /nfs/dbraw/zinc/13/67/91/564136791.db2.gz VRKACEHXICSSAL-UHFFFAOYSA-N 0 0 335.860 4.530 50 30 EJEARN CC1(C)CCCC[C@@H]1CC(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329492178 564138107 /nfs/dbraw/zinc/13/81/07/564138107.db2.gz ZOCWGDOMJPGYEP-CYBMUJFWSA-N 0 0 337.489 4.627 50 30 EJEARN O=C1/C(=C/c2cccs2)CN(CC2CC2)C/C1=C\c1cccs1 ZINC000096314570 564146728 /nfs/dbraw/zinc/14/67/28/564146728.db2.gz IGZITWLXLJDRFB-KAVGSWPWSA-N 0 0 341.501 4.571 50 30 EJEARN CSc1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000028226232 564150741 /nfs/dbraw/zinc/15/07/41/564150741.db2.gz RVPMWIVMSKKSQZ-UHFFFAOYSA-N 0 0 336.869 4.864 50 30 EJEARN Oc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl ZINC000057411935 564154012 /nfs/dbraw/zinc/15/40/12/564154012.db2.gz DKNUDENRBRISBS-QGMBQPNBSA-N 0 0 342.595 4.566 50 30 EJEARN CN(C)c1ccc(/C=C2\CCCC(=C3SCCS3)C2=O)cc1 ZINC000003199243 564155886 /nfs/dbraw/zinc/15/58/86/564155886.db2.gz GVNBTOFPSWZVHA-WYMLVPIESA-N 0 0 331.506 4.581 50 30 EJEARN Cc1cc(C=C2C(=O)CC(C)(C)CC2=O)c(C)n1-c1ccc(C)cc1 ZINC000003219148 564156122 /nfs/dbraw/zinc/15/61/22/564156122.db2.gz VOKIGYWNBZPHBS-UHFFFAOYSA-N 0 0 335.447 4.744 50 30 EJEARN CC(C)n1ncc2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 ZINC000009051248 564168701 /nfs/dbraw/zinc/16/87/01/564168701.db2.gz BHECBULUERGKLT-GOSISDBHSA-N 0 0 335.451 4.665 50 30 EJEARN C[C@@H](C#N)CN(C)c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000071844058 564175901 /nfs/dbraw/zinc/17/59/01/564175901.db2.gz SWVQLBMRGKIGKV-ZDUSSCGKSA-N 0 0 348.475 4.832 50 30 EJEARN CC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000004740466 210266346 /nfs/dbraw/zinc/26/63/46/210266346.db2.gz TVOMIQVKMUKJGG-HNNXBMFYSA-N 0 0 333.218 4.916 50 30 EJEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000004740354 210265598 /nfs/dbraw/zinc/26/55/98/210265598.db2.gz QWCAUALQACXDDZ-BUABVIFSSA-N 0 0 348.446 4.839 50 30 EJEARN CN1c2ccccc2/C(=C/C(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000055104064 214274059 /nfs/dbraw/zinc/27/40/59/214274059.db2.gz SFDBYZRTIVVFIJ-HKWRFOASSA-N 0 0 345.442 4.977 50 30 EJEARN C=CCOc1c(Cl)cc(CN(C)[C@H](C)c2ccon2)cc1Cl ZINC000055196814 214287441 /nfs/dbraw/zinc/28/74/41/214287441.db2.gz YZVOFUASWZQCDC-LLVKDONJSA-N 0 0 341.238 4.739 50 30 EJEARN N#Cc1c(CSC2=Nc3ccccc3CS2)cn2ccccc12 ZINC000058050403 214474569 /nfs/dbraw/zinc/47/45/69/214474569.db2.gz SDRBKPHGRVEYAQ-UHFFFAOYSA-N 0 0 335.457 4.979 50 30 EJEARN O=C1/C(=C/c2cccs2)CN(CC2CC2)C/C1=C/c1cccs1 ZINC000058175788 214493291 /nfs/dbraw/zinc/49/32/91/214493291.db2.gz IGZITWLXLJDRFB-CKOAPEAFSA-N 0 0 341.501 4.571 50 30 EJEARN C=CCCCCCCCCC(=O)Nc1nnc(SCC)s1 ZINC000004659167 210239536 /nfs/dbraw/zinc/23/95/36/210239536.db2.gz SRYCNQYRODIFNE-UHFFFAOYSA-N 0 0 327.519 4.895 50 30 EJEARN Cn1c2ccccc2c2cc(/C=N/CCOc3ccc(F)cc3)ccc21 ZINC000004628671 210235605 /nfs/dbraw/zinc/23/56/05/210235605.db2.gz OIGJTIRYRKHEJE-BUVRLJJBSA-N 0 0 346.405 4.969 50 30 EJEARN CC(C)(C)c1csc(N=NCc2c(O)ccc3ccccc32)n1 ZINC000004616832 210231689 /nfs/dbraw/zinc/23/16/89/210231689.db2.gz ZXACBRNDSDKEDF-VXLYETTFSA-N 0 0 325.437 4.745 50 30 EJEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000004567256 210223385 /nfs/dbraw/zinc/22/33/85/210223385.db2.gz ZYMUNTZVOUBQAI-JSAVKQRWSA-N 0 0 334.415 4.924 50 30 biogenic EJEARN N#Cc1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000004544243 210219325 /nfs/dbraw/zinc/21/93/25/210219325.db2.gz QZTCINRPFGONKZ-CIAFOILYSA-N 0 0 344.399 4.874 50 30 EJEARN CCCCCCCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000100013039 219088041 /nfs/dbraw/zinc/08/80/41/219088041.db2.gz YZKPORVLMCSCSH-UHFFFAOYSA-N 0 0 326.440 4.870 50 30 EJEARN O=C1C(=NNc2ccccc2Cl)c2ccccc2N1c1ccccc1 ZINC000100322652 219096479 /nfs/dbraw/zinc/09/64/79/219096479.db2.gz KRPIUUMZVDVZEF-NMWGTECJSA-N 0 0 347.805 4.835 50 30 EJEARN COc1cc(Br)cc(/C=N\c2ccccc2Cl)c1O ZINC000100318808 219096784 /nfs/dbraw/zinc/09/67/84/219096784.db2.gz ZMLMMJMBSRGDFM-IUXPMGMMSA-N 0 0 340.604 4.567 50 30 EJEARN CN(C)c1ccc(/N=C2/Sc3cccc4cccc(c43)C2=O)cc1 ZINC000100406422 219098274 /nfs/dbraw/zinc/09/82/74/219098274.db2.gz SXFOKYPBZYZHCJ-QZQOTICOSA-N 0 0 332.428 4.924 50 30 EJEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNc1ccccc1 ZINC000100392282 219098605 /nfs/dbraw/zinc/09/86/05/219098605.db2.gz VFMSGHUAOPDXMR-XYOKQWHBSA-N 0 0 349.615 4.664 50 30 EJEARN C/C(CCc1oc2ccc([N+](=O)[O-])cc2c1-c1ccc(C)o1)=N\O ZINC000100513938 219101131 /nfs/dbraw/zinc/10/11/31/219101131.db2.gz BBSJIKZVBZUISQ-VCHYOVAHSA-N 0 0 328.324 4.692 50 30 EJEARN COc1cc(Nc2c(C#N)cnc3ccc(Cl)cc32)cc(OC)c1 ZINC000064438681 214784612 /nfs/dbraw/zinc/78/46/12/214784612.db2.gz AWEWJHMTGOFAST-UHFFFAOYSA-N 0 0 339.782 4.521 50 30 EJEARN C=CCOc1ccc([C@@H]2[C@@H]3CCCc4ccccc4C3=NN2C)cc1 ZINC000004388982 210186574 /nfs/dbraw/zinc/18/65/74/210186574.db2.gz HCTSNRAHSVKAGC-IFMALSPDSA-N 0 0 332.447 4.595 50 30 EJEARN O=[N+]([O-])c1ccc(NN=C2CCSc3ccc(Cl)cc32)cc1 ZINC000004390374 210185952 /nfs/dbraw/zinc/18/59/52/210185952.db2.gz NRYWTZDTRZUYFI-NBVRZTHBSA-N 0 0 333.800 4.560 50 30 EJEARN O=C1C=Cc2ccccc2C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000100946486 219112045 /nfs/dbraw/zinc/11/20/45/219112045.db2.gz WRAIRJSFOXWDPP-LFIBNONCSA-N 0 0 331.293 4.634 50 30 EJEARN Cc1[nH]nc(NC2=CC(=O)CC(C)(C)C2)c1-c1ccc(Cl)cc1 ZINC000004386450 210185220 /nfs/dbraw/zinc/18/52/20/210185220.db2.gz TXACQQLOEHDYPV-UHFFFAOYSA-N 0 0 329.831 4.723 50 30 EJEARN CCOc1ccc(C=NN=c2[nH]c3ccccc3s2)c(OCC)c1 ZINC000004350001 210176901 /nfs/dbraw/zinc/17/69/01/210176901.db2.gz VCSJOABMOQOESD-XDHOZWIPSA-N 0 0 341.436 4.540 50 30 EJEARN CCO[P@](=O)(C#CC(C)(C)C)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000004327991 210172298 /nfs/dbraw/zinc/17/22/98/210172298.db2.gz LOOMGBANYDMLRT-NPMXOYFQSA-N 0 0 348.301 4.716 50 30 EJEARN O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccco1 ZINC000004279017 210159845 /nfs/dbraw/zinc/15/98/45/210159845.db2.gz DOIRIOGXWGDPAN-VOTSOKGWSA-N 0 0 342.347 4.596 50 30 EJEARN C=CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C ZINC000004209105 210145373 /nfs/dbraw/zinc/14/53/73/210145373.db2.gz QSVBHOAAXZZRMT-UHFFFAOYSA-N 0 0 337.448 4.529 50 30 EJEARN CCOc1ccccc1NC1=CC(=O)C[C@H](c2ccc(OC)cc2)C1 ZINC000004179614 210139264 /nfs/dbraw/zinc/13/92/64/210139264.db2.gz UOGTUBWMGWCDSO-MRXNPFEDSA-N 0 0 337.419 4.536 50 30 EJEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccs1 ZINC000004159635 210135218 /nfs/dbraw/zinc/13/52/18/210135218.db2.gz BMGYXFSAZSOHKH-VQHVLOKHSA-N 0 0 325.345 4.812 50 30 EJEARN O=C(/C(=C/c1cccnc1)c1nc2ccccc2o1)c1ccccc1 ZINC000004140083 210131414 /nfs/dbraw/zinc/13/14/14/210131414.db2.gz OJCMTHCACYRILJ-LGMDPLHJSA-N 0 0 326.355 4.646 50 30 EJEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 ZINC000004136876 210128616 /nfs/dbraw/zinc/12/86/16/210128616.db2.gz CZXZQRNKOOZJHM-UHFFFAOYSA-N 0 0 343.434 4.586 50 30 EJEARN CC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C#N ZINC000013327991 201891058 /nfs/dbraw/zinc/89/10/58/201891058.db2.gz QEZZJKGLHRDYDI-UHFFFAOYSA-N 0 0 325.220 4.860 50 30 EJEARN N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(Cl)cc1 ZINC000004052769 210108733 /nfs/dbraw/zinc/10/87/33/210108733.db2.gz UQCMPPQPTWAOPK-UHFFFAOYSA-N 0 0 328.746 4.918 50 30 EJEARN COc1ccc2c(c1)C(=NNc1ccccc1)c1cc(OC)ccc1-2 ZINC000003896927 210086787 /nfs/dbraw/zinc/08/67/87/210086787.db2.gz PWNSSHKXEJVVNG-UHFFFAOYSA-N 0 0 330.387 4.549 50 30 EJEARN CCCCSc1nsc(SCC(=O)c2ccccc2)c1C#N ZINC000003670102 210071730 /nfs/dbraw/zinc/07/17/30/210071730.db2.gz KLZQOWYWFSIUTI-UHFFFAOYSA-N 0 0 348.518 4.882 50 30 EJEARN CC(C)c1ccccc1-n1c(S[C@H](C)C#N)nc2ccccc2c1=O ZINC000003444409 210041711 /nfs/dbraw/zinc/04/17/11/210041711.db2.gz RFGJWDGBRMULDE-CQSZACIVSA-N 0 0 349.459 4.513 50 30 EJEARN Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)o1 ZINC000003373981 210020852 /nfs/dbraw/zinc/02/08/52/210020852.db2.gz UUIWXNMFBGQBCR-OUKQBFOZSA-N 0 0 329.355 4.746 50 30 EJEARN CSc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000003104718 209963095 /nfs/dbraw/zinc/96/30/95/209963095.db2.gz WUFNGZLRNWEDMN-UHFFFAOYSA-N 0 0 336.338 4.551 50 30 EJEARN CO/N=C/c1ccc(SCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003028620 209956405 /nfs/dbraw/zinc/95/64/05/209956405.db2.gz PKQZVMOZJQUXFV-RQZCQDPDSA-N 0 0 336.800 4.521 50 30 EJEARN Cc1ccsc1/C=C/C(=O)O/N=C/c1c(Cl)cccc1Cl ZINC000002153473 209825203 /nfs/dbraw/zinc/82/52/03/209825203.db2.gz CWKRXUSKMLDBKC-LTIZGNAXSA-N 0 0 340.231 4.954 50 30 EJEARN CC(C)(C)n1cc(C#N)c2c1nc(C(F)(F)F)cc2C(F)(F)F ZINC000040566632 213352578 /nfs/dbraw/zinc/35/25/78/213352578.db2.gz MCIOEDSQNXCDRH-UHFFFAOYSA-N 0 0 335.251 4.701 50 30 EJEARN CC[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000040049496 213253624 /nfs/dbraw/zinc/25/36/24/213253624.db2.gz KUDMXEDWTXCQKN-QFIPXVFZSA-N 0 0 340.426 4.614 50 30 EJEARN Cc1cccc([C@H](C#N)c2nc3ccccc3nc2C(F)(F)F)c1 ZINC000001382056 209732273 /nfs/dbraw/zinc/73/22/73/209732273.db2.gz KBSMMFJXDNUTJH-ZDUSSCGKSA-N 0 0 327.309 4.613 50 30 EJEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C)oc3C)sc2C1 ZINC000001003048 209698729 /nfs/dbraw/zinc/69/87/29/209698729.db2.gz ISAUBRJWAQHJRJ-ZDUSSCGKSA-N 0 0 342.464 4.987 50 30 EJEARN C[C@H]1CCc2c(C#N)c(N=Cc3c[nH]nc3-c3ccccc3)sc2C1 ZINC000000528422 209649127 /nfs/dbraw/zinc/64/91/27/209649127.db2.gz JEHUJOKYLPOOJX-YSRRJJCPSA-N 0 0 346.459 4.885 50 30 EJEARN N#Cc1ccc(-c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1 ZINC000024052666 202112347 /nfs/dbraw/zinc/11/23/47/202112347.db2.gz BBILZNNBMFDLFQ-UHFFFAOYSA-N 0 0 341.292 4.826 50 30 EJEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 ZINC000036354839 213089036 /nfs/dbraw/zinc/08/90/36/213089036.db2.gz AKKWMZJBXZYHCU-INIZCTEOSA-N 0 0 348.793 4.521 50 30 EJEARN CN(C)c1ccc(/C=C2/CCC(=C3SCCCS3)C2=O)cc1 ZINC000033312400 202257759 /nfs/dbraw/zinc/25/77/59/202257759.db2.gz SAHMZVXKPYDPGX-OWBHPGMISA-N 0 0 331.506 4.581 50 30 EJEARN COc1ccc2ccccc2c1C(=O)/C=C\c1ccc(N(C)C)cc1 ZINC000035145456 213010394 /nfs/dbraw/zinc/01/03/94/213010394.db2.gz NPHXVZAJJRHHNX-UVTDQMKNSA-N 0 0 331.415 4.811 50 30 EJEARN N#Cc1ccnc(SCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000071918266 215966392 /nfs/dbraw/zinc/96/63/92/215966392.db2.gz KCSUMVBEIMIXPF-UHFFFAOYSA-N 0 0 344.395 4.505 50 30 EJEARN N#Cc1ccc(NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)nc1 ZINC000036797969 202331660 /nfs/dbraw/zinc/33/16/60/202331660.db2.gz FVFQSEDEMFYRTH-IBGZPJMESA-N 0 0 338.414 4.679 50 30 EJEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC3)cc1 ZINC000072406678 216196612 /nfs/dbraw/zinc/19/66/12/216196612.db2.gz CMAIBAODXIEAOV-JOCHJYFZSA-N 0 0 347.462 4.729 50 30 EJEARN Oc1ccc(Br)cc1/C=N/Cc1csc2ccccc12 ZINC000000069403 209399434 /nfs/dbraw/zinc/39/94/34/209399434.db2.gz DBTBHSDYXSSRBB-QGMBQPNBSA-N 0 0 346.249 4.989 50 30 EJEARN Cc1ccc(CCC2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000000049994 209391030 /nfs/dbraw/zinc/39/10/30/209391030.db2.gz FUVBTVPDIMLQKI-UHFFFAOYSA-N 0 0 336.431 4.588 50 30 EJEARN N#Cc1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000046136 209388173 /nfs/dbraw/zinc/38/81/73/209388173.db2.gz CHTWFXJHJLJOMB-UHFFFAOYSA-N 0 0 331.828 4.796 50 30 EJEARN C=CCSc1ccccc1NC(=O)c1ccccc1OC(F)F ZINC000025734130 212495489 /nfs/dbraw/zinc/49/54/89/212495489.db2.gz MEMVOYBJEQUEBO-UHFFFAOYSA-N 0 0 335.375 4.818 50 30 EJEARN N#Cc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000000095863 201434375 /nfs/dbraw/zinc/43/43/75/201434375.db2.gz DGHMJEOQHUMGAP-UHFFFAOYSA-N 0 0 325.415 4.584 50 30 EJEARN O=C1c2cc(Cl)ccc2OC/C1=C\c1ccc(Br)cc1 ZINC000000108802 201436489 /nfs/dbraw/zinc/43/64/89/201436489.db2.gz QZOHFIVVGJOYML-YRNVUSSQSA-N 0 0 349.611 4.761 50 30 EJEARN C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(OCC)cc2)s1 ZINC000022348195 212292772 /nfs/dbraw/zinc/29/27/72/212292772.db2.gz YPACQIHJAFICBS-UHFFFAOYSA-N 0 0 329.465 4.852 50 30 EJEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(N(C)C)cc1 ZINC000000502601 201481587 /nfs/dbraw/zinc/48/15/87/201481587.db2.gz NEYQMAPLPHEKAK-FYJGNVAPSA-N 0 0 338.842 4.651 50 30 EJEARN N#CCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000002356633 201530070 /nfs/dbraw/zinc/53/00/70/201530070.db2.gz ORXXCMUOLXWOBQ-UHFFFAOYSA-N 0 0 339.367 4.706 50 30 EJEARN Cc1sc2nc(C)nc(SCc3ccc(C#N)cc3)c2c1C ZINC000005429118 201651009 /nfs/dbraw/zinc/65/10/09/201651009.db2.gz JZVUGSCFJIYUGD-UHFFFAOYSA-N 0 0 325.462 4.781 50 30 EJEARN CCOc1cc(C#N)ccc1OC(=O)c1cc(Cl)sc1Cl ZINC000069642047 203030596 /nfs/dbraw/zinc/03/05/96/203030596.db2.gz JCQJSDMGQQINIT-UHFFFAOYSA-N 0 0 342.203 4.544 50 30 EJEARN Cc1noc(C)c1C=C1SC(=O)N=C1Nc1ccc(Cl)cc1 ZINC000072401482 203214589 /nfs/dbraw/zinc/21/45/89/203214589.db2.gz SFAIXXCHBKSHMY-QPEQYQDCSA-N 0 0 333.800 4.677 50 30 EJEARN Cc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)s1 ZINC000020094507 212100777 /nfs/dbraw/zinc/10/07/77/212100777.db2.gz CVXZBQFSRHVJII-UHFFFAOYSA-N 0 0 348.456 4.595 50 30 EJEARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3cccc(F)c3C#N)n2)c1 ZINC000075094649 203300424 /nfs/dbraw/zinc/30/04/24/203300424.db2.gz CUYOKYBHVYWIAH-FQEVSTJZSA-N 0 0 346.409 4.737 50 30 EJEARN CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccccc2)n1 ZINC000019820814 212072334 /nfs/dbraw/zinc/07/23/34/212072334.db2.gz YXNGBBMSQUFKOG-BBRMVZONSA-N 0 0 338.480 4.728 50 30 EJEARN Cc1ccc(C)c2c1OC/C(=C/c1csc(-c3ccco3)n1)C2=O ZINC000098055329 203981795 /nfs/dbraw/zinc/98/17/95/203981795.db2.gz QHADCCWBVHRALE-JYRVWZFOSA-N 0 0 337.400 4.679 50 30 EJEARN C=CCN1C(=S)N=NC1c1csc(C)c1-c1ccc(C)cc1 ZINC000017067127 211948720 /nfs/dbraw/zinc/94/87/20/211948720.db2.gz MXKJVJHYAGCBER-UHFFFAOYSA-N 0 0 327.478 4.765 50 30 EJEARN COc1ccc(Nc2c(C#N)cnc3ccc(F)cc32)cc1Cl ZINC000016955214 211942775 /nfs/dbraw/zinc/94/27/75/211942775.db2.gz GHQNIKQDYSIZBD-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000016756300 211933053 /nfs/dbraw/zinc/93/30/53/211933053.db2.gz GAQRNTDABHSJFS-FCDQGJHFSA-N 0 0 346.430 4.748 50 30 EJEARN C=CCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000016222531 211890730 /nfs/dbraw/zinc/89/07/30/211890730.db2.gz ZFPPIEIWGZUJDC-YPKPFQOOSA-N 0 0 331.371 4.657 50 30 EJEARN O=C1C=C(Nc2ccc3c(c2)oc2ccccc23)C(=O)c2ccccc21 ZINC000226761075 205154146 /nfs/dbraw/zinc/15/41/46/205154146.db2.gz GLWOXRYLFDZUCJ-UHFFFAOYSA-N 0 0 339.350 4.961 50 30 EJEARN N#Cc1c2nc3ccccc3n2c(N2CCCC2)cc1-c1ccccc1 ZINC000000083760 205399666 /nfs/dbraw/zinc/39/96/66/205399666.db2.gz CDWXYYHRRYPEAI-UHFFFAOYSA-N 0 0 338.414 4.626 50 30 EJEARN CC(=O)N(c1ccc(-c2ccccc2)cc1)c1nc(C)cc(C)c1C#N ZINC000000367969 205440630 /nfs/dbraw/zinc/44/06/30/205440630.db2.gz XPNJXWKONYSQMI-UHFFFAOYSA-N 0 0 341.414 4.922 50 30 EJEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)s1 ZINC000015015831 211787953 /nfs/dbraw/zinc/78/79/53/211787953.db2.gz FQQDKDNNSDSKTR-JYRVWZFOSA-N 0 0 334.853 4.602 50 30 EJEARN c1ccc(/N=C2\O[C@H](COc3ccccc3)CN2c2ccccc2)cc1 ZINC000013511531 211570338 /nfs/dbraw/zinc/57/03/38/211570338.db2.gz OYWOXRIHKJOTHN-MUBPVYAGSA-N 0 0 344.414 4.659 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1OC(C)C ZINC000012825633 211466558 /nfs/dbraw/zinc/46/65/58/211466558.db2.gz UVBIKOLYSNUTQF-VOTSOKGWSA-N 0 0 334.799 4.933 50 30 EJEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(Br)cc1 ZINC000012465898 211390364 /nfs/dbraw/zinc/39/03/64/211390364.db2.gz AXKVCZQAPUDTRE-VCHYOVAHSA-N 0 0 346.253 4.895 50 30 EJEARN C/C(CC(C)C)=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000012382035 211363239 /nfs/dbraw/zinc/36/32/39/211363239.db2.gz MFXLZKIOQXMLDL-NDENLUEZSA-N 0 0 341.436 4.750 50 30 EJEARN N#Cc1c(NC(=O)CCCSc2ccccc2)sc2c1CCC2 ZINC000010217821 211154089 /nfs/dbraw/zinc/15/40/89/211154089.db2.gz VTAZKPULQDEYJG-UHFFFAOYSA-N 0 0 342.489 4.619 50 30 EJEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccoc3C)n2)c1C ZINC000010255974 211157735 /nfs/dbraw/zinc/15/77/35/211157735.db2.gz NUWGJCMOYYDWAO-UHFFFAOYSA-N 0 0 341.436 4.568 50 30 EJEARN Cc1sc(NC(=O)c2cccc(SC(C)C)c2)c(C#N)c1C ZINC000010253313 211157367 /nfs/dbraw/zinc/15/73/67/211157367.db2.gz BAEUCEBYGBGOBJ-UHFFFAOYSA-N 0 0 330.478 4.989 50 30 EJEARN N#Cc1ccsc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000010218172 211154968 /nfs/dbraw/zinc/15/49/68/211154968.db2.gz NRQAWNRTUGZDBH-UHFFFAOYSA-N 0 0 336.869 4.784 50 30 EJEARN CC(=CC(=O)c1ccccc1)Nc1ccc(C)c(Br)c1 ZINC000009554161 211101641 /nfs/dbraw/zinc/10/16/41/211101641.db2.gz FYYNWBVKJXBLAS-JLHYYAGUSA-N 0 0 330.225 4.956 50 30 EJEARN FC(F)(F)c1nc2ccccc2nc1N=NC=CCc1ccccc1 ZINC000008888164 211015621 /nfs/dbraw/zinc/01/56/21/211015621.db2.gz SPEOZYGNQPXOFM-OGMQXUJQSA-N 0 0 342.324 4.760 50 30 EJEARN CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccccc2)n1 ZINC000008614947 210974739 /nfs/dbraw/zinc/97/47/39/210974739.db2.gz BHEXMAIYPJWBJH-UHFFFAOYSA-N 0 0 332.432 4.789 50 30 EJEARN N#CCCn1cc(-c2csc(-c3ccccn3)n2)c2ccccc21 ZINC000007845303 210854479 /nfs/dbraw/zinc/85/44/79/210854479.db2.gz CAGUUVHIAZBNJY-UHFFFAOYSA-N 0 0 330.416 4.740 50 30 EJEARN Clc1ccc(SCC#CCSc2ccc(Cl)cn2)nc1 ZINC000006221964 210601611 /nfs/dbraw/zinc/60/16/11/210601611.db2.gz VWDYYKPTKDZICP-UHFFFAOYSA-N 0 0 341.288 4.671 50 30 EJEARN CO/N=C1/C[C@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000005696414 210519630 /nfs/dbraw/zinc/51/96/30/210519630.db2.gz ICICCNLECZQTRT-AKURBMMKSA-N 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GKQLUIMPHCJJDP-UHFFFAOYSA-N 0 0 332.188 4.526 50 30 EJEARN CCOc1ccc(-c2csc(N=NCc3cccc(C)c3)n2)cc1 ZINC000008478672 258012298 /nfs/dbraw/zinc/01/22/98/258012298.db2.gz QCUMLKGOJXNWSU-UDWIEESQSA-N 0 0 337.448 4.963 50 30 EJEARN CCCOc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006626553 258052251 /nfs/dbraw/zinc/05/22/51/258052251.db2.gz GMOWZNKEQASDAE-ONNFQVAWSA-N 0 0 345.782 4.933 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000006627122 258052326 /nfs/dbraw/zinc/05/23/26/258052326.db2.gz KSQFKTRNDPYWSL-XVNBXDOJSA-N 0 0 337.202 4.994 50 30 EJEARN C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2C=O ZINC000257346566 258073671 /nfs/dbraw/zinc/07/36/71/258073671.db2.gz SHBDEYQGGFCLQI-LPYKTLRWSA-N 0 0 344.495 4.507 50 30 EJEARN Clc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1Cl ZINC000000247593 135647843 /nfs/dbraw/zinc/64/78/43/135647843.db2.gz XHDBMYNJNZJRNN-UDWIEESQSA-N 0 0 335.234 4.581 50 30 EJEARN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000005693222 135672556 /nfs/dbraw/zinc/67/25/56/135672556.db2.gz DTQKVOOCASYQRY-AWNIVKPZSA-N 0 0 349.474 4.717 50 30 EJEARN CC(/C=N/N1CCN(c2ccc(Cl)cc2)CC1)=C\c1ccccc1 ZINC000013115395 135699689 /nfs/dbraw/zinc/69/96/89/135699689.db2.gz FQQMJEYRHKNNJV-TWNGPSNKSA-N 0 0 339.870 4.551 50 30 EJEARN Cc1ccc(-c2ccc(C(=O)N(C)C3(C#N)CCC3)c(F)c2)cc1C ZINC000170623020 226664204 /nfs/dbraw/zinc/66/42/04/226664204.db2.gz YRAISNLBGALPAH-UHFFFAOYSA-N 0 0 336.410 4.628 50 30 EJEARN CC(N=Nc1c(F)cccc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000004183901 518451400 /nfs/dbraw/zinc/45/14/00/518451400.db2.gz CYLQEJGLABHJSE-QRVIBDJDSA-N 0 0 347.384 4.930 50 30 EJEARN C=C1C[C@@H]2[C@H]3CC[C@@H](OC(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254458076 518667146 /nfs/dbraw/zinc/66/71/46/518667146.db2.gz PNUPHAWFSSBOAI-VHCUVLFBSA-N 0 0 342.479 4.616 50 30 EJEARN C=CCOc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000014257461 519064934 /nfs/dbraw/zinc/06/49/34/519064934.db2.gz DROCCYRLRLSYFQ-DEDYPNTBSA-N 0 0 335.432 4.821 50 30 EJEARN C=CCSc1ccccc1NC(=O)COc1c(C)cccc1C ZINC000015819146 519078339 /nfs/dbraw/zinc/07/83/39/519078339.db2.gz UGSINNDTUUAABI-UHFFFAOYSA-N 0 0 327.449 4.599 50 30 EJEARN CCCCCCCC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000100288285 519961150 /nfs/dbraw/zinc/96/11/50/519961150.db2.gz KLOOWJFBESMKDI-UHFFFAOYSA-N 0 0 331.456 4.928 50 30 EJEARN CCCCCCCCCCOC(=O)c1nnsc1Br ZINC000003770861 520021435 /nfs/dbraw/zinc/02/14/35/520021435.db2.gz DWSRHVSPQCFOHJ-UHFFFAOYSA-N 0 0 349.294 4.598 50 30 EJEARN CCCCCCCCCCSCC(=O)OCC(=O)c1ccco1 ZINC000059211799 520024232 /nfs/dbraw/zinc/02/42/32/520024232.db2.gz ICSNAOUAUYAREQ-UHFFFAOYSA-N 0 0 340.485 4.879 50 30 EJEARN CCCCCCCC[S@@](=O)c1sc2nc(C)cc(C)c2c1N ZINC000008680833 520048257 /nfs/dbraw/zinc/04/82/57/520048257.db2.gz QYYRACQLIHJOTH-QFIPXVFZSA-N 0 0 338.542 4.963 50 30 EJEARN CCCOc1ccc(C(=O)O/N=C(\CC)c2ccc(C)cc2)cc1 ZINC000004651801 520337532 /nfs/dbraw/zinc/33/75/32/520337532.db2.gz OGOJNWSGENMBCM-XUTLUUPISA-N 0 0 325.408 4.755 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000039941810 521090235 /nfs/dbraw/zinc/09/02/35/521090235.db2.gz WWPKUGQERABLTG-KOGIZRCVSA-N 0 0 346.426 4.562 50 30 EJEARN CCCc1sc(N=NCc2cccnc2)nc1-c1ccc(C)cc1 ZINC000018192515 521613057 /nfs/dbraw/zinc/61/30/57/521613057.db2.gz JAFRFODMEWZGLF-FYJGNVAPSA-N 0 0 336.464 4.912 50 30 EJEARN COc1ccc(/C=C/C(=O)C2CC2)cc1COc1cccc(C)c1C ZINC000000193603 523383125 /nfs/dbraw/zinc/38/31/25/523383125.db2.gz UVZFNHFQQFFSQV-YRNVUSSQSA-N 0 0 336.431 4.883 50 30 EJEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccnc3)cc2)c1 ZINC000004797674 524215829 /nfs/dbraw/zinc/21/58/29/524215829.db2.gz NCBNDSKEBCKKKW-KPKJPENVSA-N 0 0 342.398 4.538 50 30 aggregator EJEARN COc1cccc(-c2cc(NC(=Nc3ccccc3)SC)[nH]n2)c1 ZINC000020440269 525705520 /nfs/dbraw/zinc/70/55/20/525705520.db2.gz BWUUEOIFEKLVKD-UHFFFAOYSA-N 0 0 338.436 4.548 50 30 EJEARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCCCC#N)o2)cc1 ZINC000036734871 525767429 /nfs/dbraw/zinc/76/74/29/525767429.db2.gz GGDOVBOZSKROFO-UHFFFAOYSA-N 0 0 346.386 4.778 50 30 EJEARN N#CCCN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000003244446 526450521 /nfs/dbraw/zinc/45/05/21/526450521.db2.gz YPZVMBHHUBMQNG-UHFFFAOYSA-N 0 0 344.867 4.520 50 30 EJEARN Cc1nc(SCC(=O)N[C@](C)(C#N)C(C)C)n(C2CCCC2)c1C ZINC000023071545 527014217 /nfs/dbraw/zinc/01/42/17/527014217.db2.gz SEBUKRMOSOQPRP-GOSISDBHSA-N 0 0 348.516 4.602 50 30 EJEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(F)c(F)c1 ZINC000012758941 527537454 /nfs/dbraw/zinc/53/74/54/527537454.db2.gz TWXABSZRECIILZ-PKNBQFBNSA-N 0 0 338.357 4.663 50 30 EJEARN O=C(/C=C/c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000004713488 527626731 /nfs/dbraw/zinc/62/67/31/527626731.db2.gz LUIJVPLOQGIFHB-VAWYXSNFSA-N 0 0 333.412 4.897 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000016769963 564074450 /nfs/dbraw/zinc/07/44/50/564074450.db2.gz NWGWAKSYMREPCB-MRVPVSSYSA-N 0 0 330.240 4.573 50 30 EJEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000000182859 563254794 /nfs/dbraw/zinc/25/47/94/563254794.db2.gz NUQXBDNWMNKSSV-ASSNKEHSSA-N 0 0 346.386 4.852 50 30 EJEARN O=C1CCCC(=O)C1=CNc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000310339 563280259 /nfs/dbraw/zinc/28/02/59/563280259.db2.gz MBMLPFJVXHPGQZ-UHFFFAOYSA-N 0 0 341.794 4.750 50 30 EJEARN O=C(c1ccccc1Cl)C1=C(N2CCCC2)CCc2ccccc21 ZINC000000340684 563286222 /nfs/dbraw/zinc/28/62/22/563286222.db2.gz ZSUGDMDDNBETIQ-UHFFFAOYSA-N 0 0 337.850 4.976 50 30 EJEARN N#Cc1c([C@@H](C#N)c2ccccc2)cccc1[C@@H](C#N)c1ccccc1 ZINC000001397750 563386992 /nfs/dbraw/zinc/38/69/92/563386992.db2.gz DMNVMXPIBQUCCD-VXKWHMMOSA-N 0 0 333.394 4.869 50 30 EJEARN N#Cc1c([C@H](C#N)c2ccccc2)cccc1[C@H](C#N)c1ccccc1 ZINC000001397751 563387038 /nfs/dbraw/zinc/38/70/38/563387038.db2.gz DMNVMXPIBQUCCD-FGZHOGPDSA-N 0 0 333.394 4.869 50 30 EJEARN Cc1ccc2c(c1)N[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005218504 563523290 /nfs/dbraw/zinc/52/32/90/563523290.db2.gz LESOCJNBYQDOGR-HXUWFJFHSA-N 0 0 333.435 4.612 50 30 EJEARN CCCOC(=O)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005431109 563532422 /nfs/dbraw/zinc/53/24/22/563532422.db2.gz KXTOWLURQSTSGV-YBFXNURJSA-N 0 0 346.770 4.566 50 30 EJEARN C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000005494475 563535019 /nfs/dbraw/zinc/53/50/19/563535019.db2.gz NPXZJXKJCUAUBN-KGENOOAVSA-N 0 0 348.277 4.540 50 30 EJEARN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002893310 563619628 /nfs/dbraw/zinc/61/96/28/563619628.db2.gz NZKCAHSFXNCKLS-UHFFFAOYSA-N 0 0 333.774 4.930 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1C ZINC000008576303 563632893 /nfs/dbraw/zinc/63/28/93/563632893.db2.gz RMGUOLUFOQBBHN-ACCUITESSA-N 0 0 330.225 4.956 50 30 EJEARN CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)C1=O ZINC000012504589 563661862 /nfs/dbraw/zinc/66/18/62/563661862.db2.gz NMIRKZWCHKQRAV-VISDOYDDSA-N 0 0 325.839 4.591 50 30 EJEARN Cc1cc(-c2csc(N=NC(C)c3ccccc3O)n2)ccc1F ZINC000004387246 563678210 /nfs/dbraw/zinc/67/82/10/563678210.db2.gz RQEZCHKXVBMNQD-CIAFOILYSA-N 0 0 341.411 4.799 50 30 EJEARN CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000013125961 563689562 /nfs/dbraw/zinc/68/95/62/563689562.db2.gz FSIGWXQHNOGDFP-FTIPTLOASA-N 0 0 347.443 4.792 50 30 EJEARN Cn1c2ccccc2s/c1=N\N=C1c2ccccc2-c2ccccc21 ZINC000013195101 563692035 /nfs/dbraw/zinc/69/20/35/563692035.db2.gz PTVHAAXTWRFVGL-LNVKXUELSA-N 0 0 341.439 4.574 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3C)S2)cc1Cl ZINC000015016531 563772696 /nfs/dbraw/zinc/77/26/96/563772696.db2.gz FXGPBYCWYZDSAD-SXGWCWSVSA-N 0 0 342.851 4.848 50 30 EJEARN Cc1ccc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000017072276 563835668 /nfs/dbraw/zinc/83/56/68/563835668.db2.gz NQNOUNZRISKNFT-AUCMGLCLSA-N 0 0 347.443 4.710 50 30 EJEARN COc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000018286618 563852305 /nfs/dbraw/zinc/85/23/05/563852305.db2.gz LOPBEIMSPQZRIB-NMWGTECJSA-N 0 0 346.430 4.667 50 30 EJEARN Cc1cc(C(=O)N(C)C2(C#N)CCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000072274614 563902855 /nfs/dbraw/zinc/90/28/55/563902855.db2.gz BIAQCERENLLQSH-UHFFFAOYSA-N 0 0 349.478 4.736 50 30 EJEARN COc1cccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1O ZINC000003087158 563912102 /nfs/dbraw/zinc/91/21/02/563912102.db2.gz OBIWXOFWECLQBT-LPYMAVHISA-N 0 0 344.370 4.960 50 30 EJEARN CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl ZINC000072302483 563914239 /nfs/dbraw/zinc/91/42/39/563914239.db2.gz RKXRFNMAVDAXLN-SJLPKXTDSA-N 0 0 325.843 4.688 50 30 EJEARN CO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000034240870 563916800 /nfs/dbraw/zinc/91/68/00/563916800.db2.gz ICICCNLECZQTRT-XBWRSUJGSA-N 0 0 343.430 4.743 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccccc3)o2)c1 ZINC000034880242 563919886 /nfs/dbraw/zinc/91/98/86/563919886.db2.gz IQARPZNXDMIXON-ODLFYWEKSA-N 0 0 341.754 4.954 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C[C@@H]2c1ccccc1 ZINC000004597891 563925912 /nfs/dbraw/zinc/92/59/12/563925912.db2.gz SIJHDAJEDHLNAO-GOSISDBHSA-N 0 0 344.458 4.811 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Cl)sc2C1 ZINC000000035646 563968044 /nfs/dbraw/zinc/96/80/44/563968044.db2.gz GPCBCWHUOZAYNE-JTQLQIEISA-N 0 0 330.840 4.650 50 30 EJEARN Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000097152311 563968337 /nfs/dbraw/zinc/96/83/37/563968337.db2.gz BPWRQHNADWXFQH-YFHOEESVSA-N 0 0 330.409 4.553 50 30 EJEARN N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N ZINC000000039407 563968618 /nfs/dbraw/zinc/96/86/18/563968618.db2.gz IAIXMAGERSFZMA-UHFFFAOYSA-N 0 0 348.365 4.832 50 30 EJEARN C#CCOc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1 ZINC000033271199 563971782 /nfs/dbraw/zinc/97/17/82/563971782.db2.gz TZQQFOFTKZFANR-NYVOZVTQSA-N 0 0 333.431 4.560 50 30 EJEARN COC(=O)c1ccc(/N=C/c2c3c(ccc2O)oc2c3CCCC2)cc1 ZINC000000090229 563976517 /nfs/dbraw/zinc/97/65/17/563976517.db2.gz DJVWCVMXTNWBED-WSDLNYQXSA-N 0 0 349.386 4.554 50 30 EJEARN COc1ccc(/C=N/c2oc(-c3ccccc3)cc2C#N)cc1OC ZINC000084923910 563984090 /nfs/dbraw/zinc/98/40/90/563984090.db2.gz HPBHQNVIOBKNIR-LPYMAVHISA-N 0 0 332.359 4.586 50 30 EJEARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)c1 ZINC000000191245 563988153 /nfs/dbraw/zinc/98/81/53/563988153.db2.gz AZFUHEHHYHHSBZ-UHFFFAOYSA-N 0 0 347.443 4.859 50 30 EJEARN O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1)c1ccco1 ZINC000000243573 563989235 /nfs/dbraw/zinc/98/92/35/563989235.db2.gz WKJNORJROPHQGO-RGVLZGJSSA-N 0 0 340.766 4.642 50 30 EJEARN COc1cccc2cc(/C(=N/O)c3ccc(Cl)cc3Cl)oc21 ZINC000100316008 563992184 /nfs/dbraw/zinc/99/21/84/563992184.db2.gz GATCDWPPDNMFIN-XDJHFCHBSA-N 0 0 336.174 4.975 50 30 EJEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000033669120 563993758 /nfs/dbraw/zinc/99/37/58/563993758.db2.gz IXARJRDTHMQGLG-HAVVHWLPSA-N 0 0 332.432 4.767 50 30 EJEARN CCCCCCCCCC[NH2+][C@H](c1ccccc1)P(=O)([O-])[O-] ZINC000100706065 563994988 /nfs/dbraw/zinc/99/49/88/563994988.db2.gz JRUCEIRKFMFRKI-KRWDZBQOSA-N 0 0 327.405 4.593 50 30 EJEARN Cc1ccc(Nc2nn(CCC#N)c(=S)n2-c2ccc(C)cc2)cc1 ZINC000002027110 563996252 /nfs/dbraw/zinc/99/62/52/563996252.db2.gz QWKXVBGYVYWXHX-UHFFFAOYSA-N 0 0 349.463 4.677 50 30 EJEARN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000135288211 563997045 /nfs/dbraw/zinc/99/70/45/563997045.db2.gz CGHGFJUXKTXRFT-DNVCBOLYSA-N 0 0 340.492 4.511 50 30 EJEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Br ZINC000000214616 563999505 /nfs/dbraw/zinc/99/95/05/563999505.db2.gz VEVPFZWWMSECES-GXDHUFHOSA-N 0 0 343.220 4.670 50 30 EJEARN Cc1ccc2nc(Cl)c(C=NN=c3[nH]c4ccccc4[nH]3)cc2c1 ZINC000005456859 564004367 /nfs/dbraw/zinc/00/43/67/564004367.db2.gz BWQBBQNREFRABT-KEBDBYFISA-N 0 0 335.798 4.519 50 30 EJEARN C=CCSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1 ZINC000005480648 564004621 /nfs/dbraw/zinc/00/46/21/564004621.db2.gz KBECLAABBFQIAI-UHFFFAOYSA-N 0 0 326.446 4.842 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC[C@H]1C ZINC000005525977 564005022 /nfs/dbraw/zinc/00/50/22/564005022.db2.gz KEAGRABSVVFIMR-CQSZACIVSA-N 0 0 332.451 4.609 50 30 EJEARN CCc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000005551591 564005262 /nfs/dbraw/zinc/00/52/62/564005262.db2.gz ZHVAJTQMDSCHEY-PDGQHHTCSA-N 0 0 336.460 4.757 50 30 EJEARN COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)c2ccccc12 ZINC000007353058 564006843 /nfs/dbraw/zinc/00/68/43/564006843.db2.gz IZLAQSPJVUWJMT-ACCUITESSA-N 0 0 348.398 4.762 50 30 EJEARN C=CCNc1nc(SCC)nc2c1sc1nc(C)cc(C)c12 ZINC000005655008 564007075 /nfs/dbraw/zinc/00/70/75/564007075.db2.gz MKQWWLDAVDAVLT-UHFFFAOYSA-N 0 0 330.482 4.566 50 30 EJEARN CCOc1ccc(Nc2c(C#N)cnc3ccc(OCC)cc32)cc1 ZINC000017307996 564011592 /nfs/dbraw/zinc/01/15/92/564011592.db2.gz YLILYGFAFKTBKO-UHFFFAOYSA-N 0 0 333.391 4.647 50 30 EJEARN Fc1ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c1 ZINC000169725636 564017192 /nfs/dbraw/zinc/01/71/92/564017192.db2.gz RUKARCFESRIBJF-UHFFFAOYSA-N 0 0 330.121 4.717 50 30 EJEARN Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)c1ccc(F)cc1 ZINC000000495448 564017960 /nfs/dbraw/zinc/01/79/60/564017960.db2.gz NSRWFEUAACDLIG-DIGCTUSJSA-N 0 0 342.439 4.708 50 30 EJEARN C[C@H]1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(Cl)c2)S1 ZINC000000497062 564018024 /nfs/dbraw/zinc/01/80/24/564018024.db2.gz OALZAQZDTRGWSJ-QKRFLKLASA-N 0 0 348.830 4.744 50 30 EJEARN C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000000529201 564021365 /nfs/dbraw/zinc/02/13/65/564021365.db2.gz KILGTLYTTPXMDA-UHFFFAOYSA-N 0 0 344.462 4.777 50 30 EJEARN CN1c2ccccc2S/C1=C/C(=O)c1cccc(Br)c1 ZINC000103552273 564022776 /nfs/dbraw/zinc/02/27/76/564022776.db2.gz VUVOBOIOZZBUQE-MHWRWJLKSA-N 0 0 346.249 4.715 50 30 EJEARN C=CCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000000554910 564023064 /nfs/dbraw/zinc/02/30/64/564023064.db2.gz ZJWKXMRGLHHICI-UHFFFAOYSA-N 0 0 329.403 4.693 50 30 EJEARN N#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000014801919 564023935 /nfs/dbraw/zinc/02/39/35/564023935.db2.gz RFZTYHWTWJPGFM-UHFFFAOYSA-N 0 0 339.354 4.619 50 30 EJEARN CC(C)(C)[C@H]1C/C(=C\c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 ZINC000245226313 564024467 /nfs/dbraw/zinc/02/44/67/564024467.db2.gz QHULEUBLJXAJBQ-MZZMTWHPSA-N 0 0 332.447 4.969 50 30 EJEARN Oc1ccc(Br)cc1/C=N\c1cccc2c1CCCC2 ZINC000044835820 564027270 /nfs/dbraw/zinc/02/72/70/564027270.db2.gz OWJYPBZPHVKSKZ-ODLFYWEKSA-N 0 0 330.225 4.784 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2OC)cc1 ZINC000044842941 564027381 /nfs/dbraw/zinc/02/73/81/564027381.db2.gz MDTSHMKULFEROC-BUHFOSPRSA-N 0 0 325.408 4.683 50 30 EJEARN O=C(C=CNc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000044974954 564027883 /nfs/dbraw/zinc/02/78/83/564027883.db2.gz DXWHYOSFZOGQKV-AATRIKPKSA-N 0 0 338.151 4.536 50 30 EJEARN CCOc1cccc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000048299329 564030794 /nfs/dbraw/zinc/03/07/94/564030794.db2.gz ZOIDJUSVRJFREJ-BUHFOSPRSA-N 0 0 346.430 4.784 50 30 EJEARN Cc1csc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)n1 ZINC000024829786 564034011 /nfs/dbraw/zinc/03/40/11/564034011.db2.gz MJEHBKMCFHHZEF-UHFFFAOYSA-N 0 0 337.360 4.691 50 30 EJEARN CSc1nc(C2CC2)cc(-c2ccc(Br)cc2)c1C#N ZINC000000756921 564034068 /nfs/dbraw/zinc/03/40/68/564034068.db2.gz AVDIOIANENKRDG-UHFFFAOYSA-N 0 0 345.265 4.982 50 30 EJEARN C=C(C)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000003183910 564034304 /nfs/dbraw/zinc/03/43/04/564034304.db2.gz MWRWLJQUGRQXPU-UHFFFAOYSA-N 0 0 327.236 4.555 50 30 EJEARN C=CCOc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000002873251 564036067 /nfs/dbraw/zinc/03/60/67/564036067.db2.gz JGHWUEHQCPRKGT-INIZCTEOSA-N 0 0 335.447 4.621 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1C ZINC000225508610 564047393 /nfs/dbraw/zinc/04/73/93/564047393.db2.gz GOXFOZHETZOCLE-IRLDBZIGSA-N 0 0 348.442 4.623 50 30 EJEARN C=C1C[C@@H]2[C@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254458099 564053677 /nfs/dbraw/zinc/05/36/77/564053677.db2.gz PNUPHAWFSSBOAI-ZRJJWSOFSA-N 0 0 342.479 4.616 50 30 EJEARN C=C1C[C@@H]2[C@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254458081 564053683 /nfs/dbraw/zinc/05/36/83/564053683.db2.gz PNUPHAWFSSBOAI-XJQPKEKPSA-N 0 0 342.479 4.616 50 30 EJEARN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000001008400 564054002 /nfs/dbraw/zinc/05/40/02/564054002.db2.gz SXYGBCZXKVKOAF-OKHBPPCESA-N 0 0 343.379 4.697 50 30 EJEARN C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004532104 564062651 /nfs/dbraw/zinc/06/26/51/564062651.db2.gz QRBQTBMHAOMKGV-PZCCWUKDSA-N 0 0 331.500 4.776 50 30 EJEARN O=C(NCc1cccc(Cl)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000012700830 564063447 /nfs/dbraw/zinc/06/34/47/564063447.db2.gz HDWPPIYNCYNDKC-UHFFFAOYSA-N 0 0 345.829 4.670 50 30 EJEARN CNc1nc(SCc2ccccc2)nc(-c2ccc(C)cc2)c1C#N ZINC000001383198 564063943 /nfs/dbraw/zinc/06/39/43/564063943.db2.gz VCJWKPYKSPAYJV-UHFFFAOYSA-N 0 0 346.459 4.658 50 30 EJEARN COc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1 ZINC000001401431 564064989 /nfs/dbraw/zinc/06/49/89/564064989.db2.gz RDRDINOENUTUAD-UHFFFAOYSA-N 0 0 335.794 4.653 50 30 aggregator EJEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)C(C)(C)OC3(C)C)cc1 ZINC000001421238 564066269 /nfs/dbraw/zinc/06/62/69/564066269.db2.gz WENXVMNKOCDFRM-UHFFFAOYSA-N 0 0 340.448 4.681 50 30 EJEARN Cc1cc(C)c(C#N)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000001425968 564066295 /nfs/dbraw/zinc/06/62/95/564066295.db2.gz HUFVTNYUOWEQHT-UHFFFAOYSA-N 0 0 334.350 4.827 50 30 EJEARN C=CCc1cc(CN(C)[C@@H](C)c2nccs2)ccc1OC(C)C ZINC000063846597 564066412 /nfs/dbraw/zinc/06/64/12/564066412.db2.gz IWVBZRAGGJNLCD-HNNXBMFYSA-N 0 0 330.497 4.852 50 30 EJEARN CC(=O)c1c(C)cc(C)c(CNc2ccc(C#N)c(Cl)c2)c1C ZINC000012769377 564068553 /nfs/dbraw/zinc/06/85/53/564068553.db2.gz BUENHOHVDYOUCV-UHFFFAOYSA-N 0 0 326.827 4.952 50 30 EJEARN N#Cc1c(NC(=O)CCc2ccc3ccccc3c2)sc2c1CCC2 ZINC000084605855 564069031 /nfs/dbraw/zinc/06/90/31/564069031.db2.gz UAYQZYAYSLQOHH-UHFFFAOYSA-N 0 0 346.455 4.833 50 30 EJEARN C=C[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000006166687 564070716 /nfs/dbraw/zinc/07/07/16/564070716.db2.gz SXYGBCZXKVKOAF-HPUUJOOBSA-N 0 0 343.379 4.697 50 30 EJEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000016769965 564074457 /nfs/dbraw/zinc/07/44/57/564074457.db2.gz NWGWAKSYMREPCB-QMMMGPOBSA-N 0 0 330.240 4.573 50 30 EJEARN C=C(Cl)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000001164543 564074655 /nfs/dbraw/zinc/07/46/55/564074655.db2.gz KVVLDHVUDVTLBH-UHFFFAOYSA-N 0 0 342.778 4.600 50 30 EJEARN N#Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000001518506 564075811 /nfs/dbraw/zinc/07/58/11/564075811.db2.gz WYVUGSWBKADIGJ-UHFFFAOYSA-N 0 0 339.807 4.587 50 30 EJEARN COc1cc(OC)c(/N=C/C=C/c2ccc(N(C)C)cc2)cc1Cl ZINC000043761153 564076193 /nfs/dbraw/zinc/07/61/93/564076193.db2.gz CQQYHVSPMLCBSL-FXIKFWFJSA-N 0 0 344.842 4.839 50 30 EJEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257346332 564076568 /nfs/dbraw/zinc/07/65/68/564076568.db2.gz YJSXWOYIDNPTIW-WZARNJBPSA-N 0 0 344.495 4.808 50 30 EJEARN S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(Cl)cc1 ZINC000006191602 564078681 /nfs/dbraw/zinc/07/86/81/564078681.db2.gz DTMKOKQEUVXMFK-GIJQJNRQSA-N 0 0 349.246 4.797 50 30 EJEARN Cc1cccc(Oc2ccccc2NC(=O)c2ccc(C#N)cc2)c1 ZINC000015985352 564078960 /nfs/dbraw/zinc/07/89/60/564078960.db2.gz VPKYUPWOGMMDPV-UHFFFAOYSA-N 0 0 328.371 4.911 50 30 EJEARN CCSC(=Nc1ccccc1)NC(=S)Nc1ccc(F)cc1 ZINC000075259710 564081228 /nfs/dbraw/zinc/08/12/28/564081228.db2.gz XJXCZEAILDUYCN-UHFFFAOYSA-N 0 0 333.457 4.964 50 30 EJEARN O=C(O/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000006223268 564083046 /nfs/dbraw/zinc/08/30/46/564083046.db2.gz LDWWDKFRAGCQSK-OEAKJJBVSA-N 0 0 349.361 4.596 50 30 EJEARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC000012850695 564084572 /nfs/dbraw/zinc/08/45/72/564084572.db2.gz NOCPXTKSRNVBLK-AWNIVKPZSA-N 0 0 334.419 4.538 50 30 EJEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000191481646 564086378 /nfs/dbraw/zinc/08/63/78/564086378.db2.gz VVPBSAZPLBORDX-PKOBYXMFSA-N 0 0 342.483 4.618 50 30 EJEARN CCc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001849625 564088776 /nfs/dbraw/zinc/08/87/76/564088776.db2.gz QZCYIIDYNRFSGD-UHFFFAOYSA-N 0 0 326.403 4.974 50 30 EJEARN CC(C=NN1C(=S)N=NC1C1CCCCC1)=Cc1ccccc1 ZINC000252429335 564089384 /nfs/dbraw/zinc/08/93/84/564089384.db2.gz DYJLDAJLALHJNM-OQCPVZIJSA-N 0 0 326.469 4.552 50 30 EJEARN CC(C)(C)C(=O)C=CNc1ccc([N+](=O)[O-])cc1Br ZINC000252602970 564089408 /nfs/dbraw/zinc/08/94/08/564089408.db2.gz FNJOCACZMFGLLM-ZVPZAERISA-N 0 0 327.178 4.548 50 30 EJEARN C=CCc1ccccc1Oc1nc2ccccc2nc1N1CCCC1 ZINC000064438535 564091332 /nfs/dbraw/zinc/09/13/32/564091332.db2.gz IDOMSFGNVICODM-UHFFFAOYSA-N 0 0 331.419 4.751 50 30 EJEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC#N)n2)cc1 ZINC000006546607 564091857 /nfs/dbraw/zinc/09/18/57/564091857.db2.gz DKFHBZWLNJDWBK-UHFFFAOYSA-N 0 0 333.338 4.563 50 30 EJEARN CC1(C)Cc2nc(C(F)(F)F)c3[nH]c4ccccc4c3c2/C(=N/O)C1 ZINC000006591222 564092505 /nfs/dbraw/zinc/09/25/05/564092505.db2.gz RRVHEZVGBROKGV-WYMPLXKRSA-N 0 0 347.340 4.886 50 30 EJEARN CCCCCCOC(=O)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000005502300 564093297 /nfs/dbraw/zinc/09/32/97/564093297.db2.gz YKAYFNVROVMEIT-RCCKNPSSSA-N 0 0 325.408 4.880 50 30 EJEARN COc1ccccc1[C@@H]1N(c2ccccc2)OC(=O)N1c1ccccc1 ZINC000006720871 564096349 /nfs/dbraw/zinc/09/63/49/564096349.db2.gz YGOAJMNHOMNSDP-FQEVSTJZSA-N 0 0 346.386 4.772 50 30 EJEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCC2)cc1 ZINC000006768431 564097396 /nfs/dbraw/zinc/09/73/96/564097396.db2.gz SBZIDHBICNJYIN-UHFFFAOYSA-N 0 0 347.466 4.898 50 30 EJEARN CCCc1c(NCCCC(C)(C)C#N)cnn1-c1cccc(F)c1 ZINC000170603578 564109512 /nfs/dbraw/zinc/10/95/12/564109512.db2.gz JQQPRRFFNYZIFN-UHFFFAOYSA-N 0 0 328.435 4.706 50 30 EJEARN CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(Cl)cc1C#N ZINC000004550677 564111736 /nfs/dbraw/zinc/11/17/36/564111736.db2.gz MYKWUBUUIVVATC-GOSISDBHSA-N 0 0 339.826 4.578 50 30 EJEARN N#Cc1ccc(CNc2cccc(C#Cc3ccccc3)c2)c(F)c1 ZINC000219631773 564117685 /nfs/dbraw/zinc/11/76/85/564117685.db2.gz MMICYIMBASHFFZ-UHFFFAOYSA-N 0 0 326.374 4.709 50 30 EJEARN COc1cccc(C=Nc2ccc(Br)c(Cl)c2)c1O ZINC000252462236 564118747 /nfs/dbraw/zinc/11/87/47/564118747.db2.gz QWOKEBWUPJWONP-UHFFFAOYSA-N 0 0 340.604 4.567 50 30 EJEARN N#C[C@H]1CCC[C@@H](Nc2cccc(CSC3CCOCC3)c2)C1 ZINC000252484688 564119282 /nfs/dbraw/zinc/11/92/82/564119282.db2.gz GERIGUURLPMMHN-DOTOQJQBSA-N 0 0 330.497 4.593 50 30 EJEARN N#C[C@@H]1CCC[C@@H](Nc2cccc(CSC3CCOCC3)c2)C1 ZINC000252484689 564119294 /nfs/dbraw/zinc/11/92/94/564119294.db2.gz GERIGUURLPMMHN-NVXWUHKLSA-N 0 0 330.497 4.593 50 30 EJEARN CCN1C/C(=C\c2cccc(C)c2)C(=O)/C(=C\c2cccc(C)c2)C1 ZINC000012604692 564120067 /nfs/dbraw/zinc/12/00/67/564120067.db2.gz AXVUXKRHIVMKHK-VOKWCDJLSA-N 0 0 331.459 4.675 50 30 EJEARN N#Cc1c2c(sc1N=Cc1cc(Br)cs1)CCC2 ZINC000252596583 564121094 /nfs/dbraw/zinc/12/10/94/564121094.db2.gz CKUUJLGCUJJIBI-UHFFFAOYSA-N 0 0 337.267 4.683 50 30 EJEARN COc1ccc(-c2nc3ccccn3c2N=Cc2ccc(F)cc2)cc1 ZINC000252603139 564121196 /nfs/dbraw/zinc/12/11/96/564121196.db2.gz FNZIMLUKAHKWPO-UHFFFAOYSA-N 0 0 345.377 4.900 50 30 EJEARN CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=Nc1ccccc1 ZINC000252605798 564121241 /nfs/dbraw/zinc/12/12/41/564121241.db2.gz GLZWWWRACRQACE-KJUOBGRVSA-N 0 0 334.444 4.867 50 30 EJEARN CN(C)c1ccc(C=Nc2cccc(C(=O)c3ccc(F)cc3)c2)cc1 ZINC000252604883 564121247 /nfs/dbraw/zinc/12/12/47/564121247.db2.gz GEVTZMAFRJGWMQ-UHFFFAOYSA-N 0 0 346.405 4.873 50 30 EJEARN Cc1ccc(-c2csc(NNC3=CC(=O)c4ccccc43)n2)cc1 ZINC000252608800 564121373 /nfs/dbraw/zinc/12/13/73/564121373.db2.gz HNEZEQGGXINQSX-UHFFFAOYSA-N 0 0 333.416 4.847 50 30 EJEARN N#Cc1c(CSc2ncc(-c3ccccc3)o2)cn2ccccc12 ZINC000065849063 564121675 /nfs/dbraw/zinc/12/16/75/564121675.db2.gz ULNCZMFUUZLZJA-UHFFFAOYSA-N 0 0 331.400 4.758 50 30 EJEARN CC(C)(C)c1cc(CN=Nc2ccccn2)cc(C(C)(C)C)c1O ZINC000252616111 564122063 /nfs/dbraw/zinc/12/20/63/564122063.db2.gz JXDFKFCQTBJZSI-UHFFFAOYSA-N 0 0 325.456 4.828 50 30 EJEARN Clc1nc2sccn2c1C=NNc1ccc2ccccc2c1 ZINC000252623658 564122974 /nfs/dbraw/zinc/12/29/74/564122974.db2.gz OWKCGRHTMWSHHO-UHFFFAOYSA-N 0 0 326.812 4.648 50 30 EJEARN COc1cccc(C=Nc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000252625642 564123275 /nfs/dbraw/zinc/12/32/75/564123275.db2.gz QOGXDQCCFRPASP-UHFFFAOYSA-N 0 0 330.387 4.698 50 30 EJEARN COC(=O)c1ccccc1OC(=Nc1ccc(C)cc1)c1ccccc1 ZINC000252627762 564123387 /nfs/dbraw/zinc/12/33/87/564123387.db2.gz SBAWRMSDJOKDGW-UHFFFAOYSA-N 0 0 345.398 4.939 50 30 EJEARN Cc1ccc(-c2csc(=NNC3=CC(=O)CC(C)(C)C3)[nH]2)cc1 ZINC000252635741 564124586 /nfs/dbraw/zinc/12/45/86/564124586.db2.gz XAHIMLBWKGXLOL-UHFFFAOYSA-N 0 0 327.453 4.666 50 30 EJEARN C=CCc1cccc(C=Nc2ccc(C)cc2Br)c1O ZINC000252640390 564124617 /nfs/dbraw/zinc/12/46/17/564124617.db2.gz YSWWASCLSKNMKN-UHFFFAOYSA-N 0 0 330.225 4.942 50 30 EJEARN C[C@@H]1CN(C(=O)c2ccccc2F)C(=Nc2ccccc2Cl)S1 ZINC000252642534 564124728 /nfs/dbraw/zinc/12/47/28/564124728.db2.gz ZNBKDZHODAQBRP-LLVKDONJSA-N 0 0 348.830 4.744 50 30 EJEARN C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc(C)c1 ZINC000252671128 564124821 /nfs/dbraw/zinc/12/48/21/564124821.db2.gz MTLDFUJTZXTKAN-UHFFFAOYSA-N 0 0 336.460 4.952 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(CCc2ccccc2)cc1 ZINC000002275782 564125593 /nfs/dbraw/zinc/12/55/93/564125593.db2.gz DSTIISDBYJASHH-UHFFFAOYSA-N 0 0 338.406 4.934 50 30 EJEARN C[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@]1(O)c1ccccc1 ZINC000002143312 564130088 /nfs/dbraw/zinc/13/00/88/564130088.db2.gz RUFRUYRQDZSWAT-BXKMTCNYSA-N 0 0 340.422 4.704 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(O)cc1 ZINC000000045594 564132715 /nfs/dbraw/zinc/13/27/15/564132715.db2.gz HMHPPHZICTXJOS-UHFFFAOYSA-N 0 0 342.402 4.679 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000000136987 564132871 /nfs/dbraw/zinc/13/28/71/564132871.db2.gz PPRIFMRXDQBHEM-NSHDSACASA-N 0 0 336.416 4.743 50 30 EJEARN N#Cc1ccc(-c2ccccc2)nc1SCc1ccc(Cl)nc1 ZINC000000377636 564133138 /nfs/dbraw/zinc/13/31/38/564133138.db2.gz ZFUDDNCAUFLUSN-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN N#Cc1c(NC(=O)c2c(F)cccc2F)sc2c1CCCCCC2 ZINC000000371636 564133144 /nfs/dbraw/zinc/13/31/44/564133144.db2.gz IYUUEUMPIYKCRK-UHFFFAOYSA-N 0 0 346.402 4.809 50 30 EJEARN N#Cc1ccc(Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1 ZINC000000621643 564133518 /nfs/dbraw/zinc/13/35/18/564133518.db2.gz GWXHYBARMWGLIO-UHFFFAOYSA-N 0 0 342.423 4.854 50 30 EJEARN C=CCn1c(SCCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002361991 564133728 /nfs/dbraw/zinc/13/37/28/564133728.db2.gz KXRCOGMVIKUWSW-UHFFFAOYSA-N 0 0 348.537 4.805 50 30 EJEARN CCc1[nH]c2c(c3nc4ccccc4c1-3)C(=NN(C)C)CC(C)(C)C2 ZINC000012657461 564135434 /nfs/dbraw/zinc/13/54/34/564135434.db2.gz NJJWWNAZERCYSC-JJIBRWJFSA-N 0 0 334.467 4.517 50 30 biogenic EJEARN O=C(/C=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012959499 564135720 /nfs/dbraw/zinc/13/57/20/564135720.db2.gz UZKYPIWPGGIALQ-NVNXTCNLSA-N 0 0 346.357 4.941 50 30 EJEARN C/C(=N\Oc1cccc(O/N=C(/C)c2ccccc2)n1)c1ccccc1 ZINC000013394664 564136351 /nfs/dbraw/zinc/13/63/51/564136351.db2.gz RTZIYMDZPVZBOV-JVBWRSBESA-N 0 0 345.402 4.688 50 30 EJEARN CC(C)c1nc(N2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000020827701 564141844 /nfs/dbraw/zinc/14/18/44/564141844.db2.gz MFBFRUMMMLIPKA-UHFFFAOYSA-N 0 0 329.513 4.635 50 30 EJEARN Cc1c(C#N)c2c3ccccc3ccn2c1C(=O)c1ccc(F)cc1 ZINC000002544947 564150590 /nfs/dbraw/zinc/15/05/90/564150590.db2.gz AVWFFYGGMYSTIK-UHFFFAOYSA-N 0 0 328.346 4.643 50 30 EJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3F)sc2C1 ZINC000002740579 564152358 /nfs/dbraw/zinc/15/23/58/564152358.db2.gz BMQFSUONYZUVER-NSHDSACASA-N 0 0 328.412 4.526 50 30 EJEARN Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002741711 564152372 /nfs/dbraw/zinc/15/23/72/564152372.db2.gz MXXCIKAZOCMTLV-LBPRGKRZSA-N 0 0 342.464 4.925 50 30 EJEARN Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002741712 564152374 /nfs/dbraw/zinc/15/23/74/564152374.db2.gz MXXCIKAZOCMTLV-GFCCVEGCSA-N 0 0 342.464 4.925 50 30 EJEARN COC(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N ZINC000002772696 564152567 /nfs/dbraw/zinc/15/25/67/564152567.db2.gz BYLSIRJNLAQYHA-UHFFFAOYSA-N 0 0 327.192 4.772 50 30 EJEARN C=C(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)c2ccccc12 ZINC000003013892 564154374 /nfs/dbraw/zinc/15/43/74/564154374.db2.gz STOXTLUAOMAOBZ-UHFFFAOYSA-N 0 0 331.371 4.574 50 30 EJEARN Cc1ccc2nsnc2c1/N=C/c1ccc(Br)cc1 ZINC000003156278 564155549 /nfs/dbraw/zinc/15/55/49/564155549.db2.gz FHSQIEKBYSMATF-LZYBPNLTSA-N 0 0 332.226 4.513 50 30 EJEARN N#Cc1ccc(F)c(CN(Cc2ccco2)Cc2cccs2)c1 ZINC000057900368 564156480 /nfs/dbraw/zinc/15/64/80/564156480.db2.gz RUUSUMMVLMWJSI-UHFFFAOYSA-N 0 0 326.396 4.554 50 30 EJEARN C#CCOc1ccc([C@H]2Nc3ccc(CC)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000030781499 564157731 /nfs/dbraw/zinc/15/77/31/564157731.db2.gz PDJZFUOYLQAIPF-PMOQBDJRSA-N 0 0 347.458 4.896 50 30 EJEARN C#CCOc1ccc([C@H]2Nc3ccc(CC)cc3[C@H]3OCC[C@H]32)cc1 ZINC000030780663 564157734 /nfs/dbraw/zinc/15/77/34/564157734.db2.gz CMVKRFFLYOFETG-BWAGFHJFSA-N 0 0 333.431 4.505 50 30 EJEARN COc1ccc(N(Cc2cccs2)Cc2ccc(C#N)cc2)cc1 ZINC000058316281 564158563 /nfs/dbraw/zinc/15/85/63/564158563.db2.gz XLGVBFZVGPAGQF-UHFFFAOYSA-N 0 0 334.444 4.835 50 30 EJEARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)cc1 ZINC000031335548 564159342 /nfs/dbraw/zinc/15/93/42/564159342.db2.gz GVSHHTVLNZHXGT-LLVKDONJSA-N 0 0 333.218 4.698 50 30 EJEARN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c[nH]c2ccccc12 ZINC000007980439 564161701 /nfs/dbraw/zinc/16/17/01/564161701.db2.gz JFBABBCKVKJFMZ-UHFFFAOYSA-N 0 0 344.867 4.640 50 30 EJEARN N#Cc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 ZINC000040287923 564168657 /nfs/dbraw/zinc/16/86/57/564168657.db2.gz USKNSFHMPWADAA-OAHLLOKOSA-N 0 0 331.400 4.805 50 30 EJEARN N#Cc1ccsc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000009575333 564174137 /nfs/dbraw/zinc/17/41/37/564174137.db2.gz TWHTZZKSJCPTLC-UHFFFAOYSA-N 0 0 345.383 4.680 50 30 EJEARN O=C(CN1CCCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000050099988 214045634 /nfs/dbraw/zinc/04/56/34/214045634.db2.gz KNFOCHKGZLFBNX-UHFFFAOYSA-N 0 0 349.887 4.928 50 30 EJEARN C=CCN1C(=O)S/C(=C/c2cc(C)n(C3CCCCC3)c2C)C1=O ZINC000004695954 210250381 /nfs/dbraw/zinc/25/03/81/210250381.db2.gz JISKNYVHTISMRB-SFQUDFHCSA-N 0 0 344.480 4.832 50 30 EJEARN O=S(=O)(NN=C1CCCCCCCCCCC1)c1ccccc1 ZINC000004695822 210249982 /nfs/dbraw/zinc/24/99/82/210249982.db2.gz GRFHZWULSDBXPQ-UHFFFAOYSA-N 0 0 336.501 4.626 50 30 EJEARN CCCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C)CC2 ZINC000004620418 210233978 /nfs/dbraw/zinc/23/39/78/210233978.db2.gz YAEBAHPKIALFPV-SNVBAGLBSA-N 0 0 328.403 4.989 50 30 EJEARN Cc1nc(-c2ccccc2)nc(N=NCc2ccccc2Cl)c1C ZINC000004595687 210229194 /nfs/dbraw/zinc/22/91/94/210229194.db2.gz SZQGFJBQOIKPJT-CIAFOILYSA-N 0 0 336.826 4.860 50 30 EJEARN Cc1ccc2[nH]c(=NN=Cc3c(O)ccc4ccccc43)sc2c1 ZINC000098086924 219081779 /nfs/dbraw/zinc/08/17/79/219081779.db2.gz YLUMZQCIHVQIDW-JAIQZWGSSA-N 0 0 333.416 4.910 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1cccc(Br)c1)C2=O ZINC000004547314 210219819 /nfs/dbraw/zinc/21/98/19/210219819.db2.gz IVQWGSLUPBIOMM-NTEUORMPSA-N 0 0 343.220 4.670 50 30 EJEARN O=C1c2ccccc2SC1=CNc1cccc(Br)c1 ZINC000100057777 219089785 /nfs/dbraw/zinc/08/97/85/219089785.db2.gz RFWWNHAULHNCKI-NTEUORMPSA-N 0 0 332.222 4.691 50 30 EJEARN Cc1nc(Cl)cc(N=NC(C)c2ccc(Cl)c(Cl)c2)n1 ZINC000004503453 210206179 /nfs/dbraw/zinc/20/61/79/210206179.db2.gz REKARQWIKGGHFJ-FBCYGCLPSA-N 0 0 329.618 4.581 50 30 EJEARN CC(C)N1c2ccccc2C(=NNc2cc(Cl)ccc2Cl)C1=O ZINC000100322664 219096616 /nfs/dbraw/zinc/09/66/16/219096616.db2.gz MIBRJIMEQOEQSB-LTGZKZEYSA-N 0 0 348.233 4.565 50 30 EJEARN O=C1C(=NNc2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 ZINC000100327144 219096677 /nfs/dbraw/zinc/09/66/77/219096677.db2.gz BADVHJGHRGRNLD-NMWGTECJSA-N 0 0 347.805 4.835 50 30 EJEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1c(Cl)cccc1Cl ZINC000004471508 210195026 /nfs/dbraw/zinc/19/50/26/210195026.db2.gz RIHNZTLQMVOPMT-NTEUORMPSA-N 0 0 349.242 4.885 50 30 EJEARN CCOc1ccc(OCC)c(Nc2c(C#N)cnc3ccccc32)c1 ZINC000064438612 214785512 /nfs/dbraw/zinc/78/55/12/214785512.db2.gz HJLODJCKIBOEEG-UHFFFAOYSA-N 0 0 333.391 4.647 50 30 EJEARN CC(NC(c1ccccc1)c1ccccc1)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000100749179 219106127 /nfs/dbraw/zinc/10/61/27/219106127.db2.gz HNYWDGXJXONHOD-JRJNRIIQSA-N 0 0 331.459 4.885 50 30 biogenic EJEARN CCOCc1c(C)cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c1C ZINC000004419199 210191265 /nfs/dbraw/zinc/19/12/65/210191265.db2.gz UBFDQMPBYKIRRK-RGVLZGJSSA-N 0 0 341.411 4.503 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccccc3)o2)c1 ZINC000004417264 210191318 /nfs/dbraw/zinc/19/13/18/210191318.db2.gz IQARPZNXDMIXON-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN O=C(O/N=C/c1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000004389768 210186214 /nfs/dbraw/zinc/18/62/14/210186214.db2.gz GZJSLCZHCVRMFJ-ODCIPOBUSA-N 0 0 345.679 4.689 50 30 EJEARN COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000101091497 219115829 /nfs/dbraw/zinc/11/58/29/219115829.db2.gz QIXKFBLGOZLKFU-UHFFFAOYSA-N 0 0 327.383 4.872 50 30 EJEARN CCCCCCCCCCCCn1nnc(Cc2ccccn2)n1 ZINC000101174652 219119014 /nfs/dbraw/zinc/11/90/14/219119014.db2.gz QVGPYGUJOMYLDR-UHFFFAOYSA-N 0 0 329.492 4.580 50 30 EJEARN N#Cc1ccccc1-c1c(-c2ccccc2)ncn1[C@@H]1CCSC1 ZINC000065386445 214883560 /nfs/dbraw/zinc/88/35/60/214883560.db2.gz COCLBZVNDFVDDS-QGZVFWFLSA-N 0 0 331.444 4.767 50 30 EJEARN C=CCSc1nnc(-c2ccccc2F)n1-c1ccccc1C ZINC000004212065 210144990 /nfs/dbraw/zinc/14/49/90/210144990.db2.gz MXQBUEKJDUFIFQ-UHFFFAOYSA-N 0 0 325.412 4.660 50 30 EJEARN COc1cc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)ccc1O ZINC000013773696 201915029 /nfs/dbraw/zinc/91/50/29/201915029.db2.gz OHJNZTDKPNLKQP-LPYMAVHISA-N 0 0 343.386 4.695 50 30 EJEARN Cc1ccc(/N=C2/S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1C ZINC000013940977 201921424 /nfs/dbraw/zinc/92/14/24/201921424.db2.gz JIZHFUJUJKQBCG-WZOFUNJYSA-N 0 0 340.423 4.676 50 30 EJEARN C=CCn1c(SC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000003902131 210088530 /nfs/dbraw/zinc/08/85/30/210088530.db2.gz JKFQHTCXZACHMZ-NSHDSACASA-N 0 0 348.537 4.517 50 30 EJEARN C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc([N+](=O)[O-])cc1 ZINC000003878905 210081686 /nfs/dbraw/zinc/08/16/86/210081686.db2.gz WMGOTJBORZLLSI-UHFFFAOYSA-N 0 0 346.390 4.832 50 30 EJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000003881617 210083230 /nfs/dbraw/zinc/08/32/30/210083230.db2.gz UWBICEKKOYXZRG-WNHSNXHDSA-N 0 0 342.479 4.594 50 30 biogenic,in-vitro EJEARN O=C1c2ccccc2C2=C1[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000102682024 219222287 /nfs/dbraw/zinc/22/22/87/219222287.db2.gz RUDCQSLONISTIG-QGZVFWFLSA-N 0 0 333.412 4.890 50 30 EJEARN C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000003406312 210030256 /nfs/dbraw/zinc/03/02/56/210030256.db2.gz ALXJYZYAUCDGIR-UHFFFAOYSA-N 0 0 345.427 4.515 50 30 EJEARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C#N ZINC000003372007 210021408 /nfs/dbraw/zinc/02/14/08/210021408.db2.gz GREVXPDWLXXJNI-UHFFFAOYSA-N 0 0 336.435 4.823 50 30 EJEARN Cc1ccc(-c2nnc(S[C@H](C)C#N)nc2-c2ccc(C)cc2)cc1 ZINC000003343464 210012946 /nfs/dbraw/zinc/01/29/46/210012946.db2.gz XBAMTYYBMPQWCA-OAHLLOKOSA-N 0 0 346.459 4.827 50 30 EJEARN C=CCNc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003029400 209956113 /nfs/dbraw/zinc/95/61/13/209956113.db2.gz OLTYTSOFSNTELS-UHFFFAOYSA-N 0 0 346.821 4.934 50 30 EJEARN CCCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC ZINC000017136173 201986832 /nfs/dbraw/zinc/98/68/32/201986832.db2.gz ICTNZPATGWHEJL-PDGQHHTCSA-N 0 0 326.417 4.814 50 30 EJEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(=O)oc2)cc1 ZINC000002428961 209848305 /nfs/dbraw/zinc/84/83/05/209848305.db2.gz JEBIMLWTAHHMBY-UHFFFAOYSA-N 0 0 343.423 4.631 50 30 EJEARN CSc1ccc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000040157938 213275729 /nfs/dbraw/zinc/27/57/29/213275729.db2.gz GZCVCGAAGUXIAG-MDWZMJQESA-N 0 0 349.459 4.502 50 30 EJEARN N#Cc1cccnc1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000040106958 213266137 /nfs/dbraw/zinc/26/61/37/213266137.db2.gz BPBJYVKLYYZDPP-UHFFFAOYSA-N 0 0 349.777 4.651 50 30 EJEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC#N)n2)o1 ZINC000038142885 213202067 /nfs/dbraw/zinc/20/20/67/213202067.db2.gz JTFCSNCDIGQZMX-UHFFFAOYSA-N 0 0 337.326 4.546 50 30 EJEARN Cc1ccc(SC(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000020745718 202054523 /nfs/dbraw/zinc/05/45/23/202054523.db2.gz FPLCKVCJMJCUMZ-UHFFFAOYSA-N 0 0 328.458 4.746 50 30 EJEARN CC(C)(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000020617345 202050821 /nfs/dbraw/zinc/05/08/21/202050821.db2.gz DELDZCQTBKUTOE-HUUCEWRRSA-N 0 0 348.372 4.713 50 30 EJEARN C=C(C)Cn1c(C(=O)N(C)Cc2ccccc2)cc2sc(C)cc21 ZINC000037543009 213155179 /nfs/dbraw/zinc/15/51/79/213155179.db2.gz NYENDNWIIYIDOS-UHFFFAOYSA-N 0 0 338.476 4.860 50 30 EJEARN O=C(NC1CC1)c1cc2sccc2n1Cc1ccccc1Cl ZINC000037526154 213154658 /nfs/dbraw/zinc/15/46/58/213154658.db2.gz PGRKFXBDXGQWQT-UHFFFAOYSA-N 0 0 330.840 4.872 50 30 EJEARN C=C(C)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C ZINC000000487017 209631122 /nfs/dbraw/zinc/63/11/22/209631122.db2.gz PTXYCMLYHICVGW-UHFFFAOYSA-N 0 0 336.387 4.732 50 30 biogenic EJEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 ZINC000000483145 209629202 /nfs/dbraw/zinc/62/92/02/209629202.db2.gz BSDYYCACJPSQQY-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000036834931 213121786 /nfs/dbraw/zinc/12/17/86/213121786.db2.gz XXYANOHPUSGUAE-VQHVLOKHSA-N 0 0 348.855 4.828 50 30 EJEARN N#Cc1ccc(NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)nc1 ZINC000036797967 213118762 /nfs/dbraw/zinc/11/87/62/213118762.db2.gz FVFQSEDEMFYRTH-LJQANCHMSA-N 0 0 338.414 4.679 50 30 EJEARN COCCCN1C(=O)CS/C1=N\c1c(C(C)C)cccc1C(C)C ZINC000036611302 213100295 /nfs/dbraw/zinc/10/02/95/213100295.db2.gz WFCDJFLJUVGHCT-VXPUYCOJSA-N 0 0 348.512 4.533 50 30 EJEARN C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000032604649 212816114 /nfs/dbraw/zinc/81/61/14/212816114.db2.gz MYAQWWQTJVDIHN-UHFFFAOYSA-N 0 0 348.537 4.805 50 30 EJEARN COc1ccc(/C=N/CC23C[C@@H]4CC(C[C@@H](C4)C2)CC3)c(OC)c1 ZINC000000236386 209498185 /nfs/dbraw/zinc/49/81/85/209498185.db2.gz LKOZLBTWDRHVLC-ZDGMFXGCSA-N 0 0 327.468 4.729 50 30 EJEARN N#Cc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C#N)cc1 ZINC000000065667 209396934 /nfs/dbraw/zinc/39/69/34/209396934.db2.gz MZCHJWQINKYXJS-RYQLWAFASA-N 0 0 334.382 4.931 50 30 EJEARN C=CCc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)c1O ZINC000000064190 209397112 /nfs/dbraw/zinc/39/71/12/209397112.db2.gz WVOOSSNANDPDCQ-AEOXGOBCSA-N 0 0 336.460 4.929 50 30 EJEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(F)cc1 ZINC000000044901 209388354 /nfs/dbraw/zinc/38/83/54/209388354.db2.gz KTNQLPWGDQCSRJ-UHFFFAOYSA-N 0 0 348.402 4.734 50 30 EJEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)o1 ZINC000013768373 201366156 /nfs/dbraw/zinc/36/61/56/201366156.db2.gz OVNVUYGMDAHURQ-NDENLUEZSA-N 0 0 332.355 4.783 50 30 EJEARN CC1C/C(=C\c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 ZINC000096793758 201378480 /nfs/dbraw/zinc/37/84/80/201378480.db2.gz WOCLVPJDTLLCMY-ADYPVIEZSA-N 0 0 338.410 4.896 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3ccccc3)sc2C1 ZINC000000028433 201424533 /nfs/dbraw/zinc/42/45/33/201424533.db2.gz BDKSGJFAJHJHBQ-CQSZACIVSA-N 0 0 338.476 4.706 50 30 EJEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000002164799 201526782 /nfs/dbraw/zinc/52/67/82/201526782.db2.gz DRWMRBYLKWKBCX-KGENOOAVSA-N 0 0 332.359 4.924 50 30 EJEARN N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000002765831 201544111 /nfs/dbraw/zinc/54/41/11/201544111.db2.gz RMONXVYIYWHKFM-HOTGVXAUSA-N 0 0 336.460 4.631 50 30 EJEARN C[C@@H](C#N)Sc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1 ZINC000002635955 201538130 /nfs/dbraw/zinc/53/81/30/201538130.db2.gz UHDVUANCZBPMIB-LURJTMIESA-N 0 0 348.305 4.974 50 30 EJEARN Cc1ccc(Cl)cc1/N=C1\SCC(c2ccccc2)=NN1C ZINC000004389058 201599599 /nfs/dbraw/zinc/59/95/99/201599599.db2.gz HPHACJNMGNJRHE-ZPHPHTNESA-N 0 0 329.856 4.719 50 30 EJEARN CCc1nc(NC2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000020841151 212174941 /nfs/dbraw/zinc/17/49/41/212174941.db2.gz IHQIZJFPPFRWBP-UHFFFAOYSA-N 0 0 329.513 4.828 50 30 EJEARN COc1ccc2cc(/C(C)=N/NC(=S)Nc3ccccc3)ccc2c1 ZINC000020615109 212156218 /nfs/dbraw/zinc/15/62/18/212156218.db2.gz QPUJTHVGAOGXCN-HYARGMPZSA-N 0 0 349.459 4.559 50 30 EJEARN CC(C)(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000020617342 212156229 /nfs/dbraw/zinc/15/62/29/212156229.db2.gz DELDZCQTBKUTOE-CABCVRRESA-N 0 0 348.372 4.713 50 30 EJEARN Cc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)CC3)cc2)cc1 ZINC000069464082 203006268 /nfs/dbraw/zinc/00/62/68/203006268.db2.gz GMYFJDKNJBZULB-UHFFFAOYSA-N 0 0 335.407 4.555 50 30 EJEARN COc1ccc(-c2cc(-c3cccc(Cl)c3)c(C#N)c(N)n2)cc1 ZINC000020389373 212124802 /nfs/dbraw/zinc/12/48/02/212124802.db2.gz HVIBREHQEGYIGG-UHFFFAOYSA-N 0 0 335.794 4.531 50 30 EJEARN Cc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000020367338 212123155 /nfs/dbraw/zinc/12/31/55/212123155.db2.gz SXMMMFBGHFUIPU-UHFFFAOYSA-N 0 0 325.411 4.849 50 30 EJEARN N#Cc1c(N)nc(-c2ccncc2)cc1-c1ccc(Cl)cc1Cl ZINC000020328265 212119824 /nfs/dbraw/zinc/11/98/24/212119824.db2.gz IZOCYUVFHVEJOK-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN CC[C@@H](CNc1oc(-c2ccc(OC)cc2)nc1C#N)c1ccccc1 ZINC000072238625 203183888 /nfs/dbraw/zinc/18/38/88/203183888.db2.gz JFAVMLSSNFVOMX-HNNXBMFYSA-N 0 0 347.418 4.828 50 30 EJEARN O=[N+]([O-])c1ccc(S/N=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000019878392 212078512 /nfs/dbraw/zinc/07/85/12/212078512.db2.gz KNNKHRFNJQEZPM-AQTBWJFISA-N 0 0 326.299 4.654 50 30 EJEARN CCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000019708418 212056298 /nfs/dbraw/zinc/05/62/98/212056298.db2.gz YLQDDZPDBBXCHC-UHFFFAOYSA-N 0 0 327.472 4.502 50 30 EJEARN N#Cc1c(NCc2ccccc2)ccnc1SCc1ccccc1 ZINC000019595261 212050460 /nfs/dbraw/zinc/05/04/60/212050460.db2.gz YOIHAVFIXRUTFV-UHFFFAOYSA-N 0 0 331.444 4.858 50 30 EJEARN COc1cccc(NC2=C(C(=O)c3ccccc3)C(=O)CC(C)(C)C2)c1 ZINC000100160987 203989621 /nfs/dbraw/zinc/98/96/21/203989621.db2.gz NFNSRDFOEPSRBC-UHFFFAOYSA-N 0 0 349.430 4.633 50 30 EJEARN CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)cc1 ZINC000100988620 203999593 /nfs/dbraw/zinc/99/95/93/203999593.db2.gz XWSMWRNEYXAJEO-OQGNJANVSA-N 0 0 334.853 4.635 50 30 EJEARN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1C ZINC000101504791 204008676 /nfs/dbraw/zinc/00/86/76/204008676.db2.gz JIZHFUJUJKQBCG-SMSCYPBYSA-N 0 0 340.423 4.676 50 30 EJEARN N#Cc1ccc(NCCCOc2cccc3cccnc32)cc1Cl ZINC000078680040 217101378 /nfs/dbraw/zinc/10/13/78/217101378.db2.gz ZNWWVOJBDCYCPV-UHFFFAOYSA-N 0 0 337.810 4.641 50 30 EJEARN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000005740999 205777139 /nfs/dbraw/zinc/77/71/39/205777139.db2.gz DLHUGFKKPDNQCZ-CCEZHUSRSA-N 0 0 345.373 4.865 50 30 EJEARN Cc1oc(-c2ccccc2)nc1CSc1nc(C)cc(C)c1C#N ZINC000012255330 211330627 /nfs/dbraw/zinc/33/06/27/211330627.db2.gz KOKNXZKGUMPKCJ-UHFFFAOYSA-N 0 0 335.432 4.826 50 30 EJEARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(C)cc(C)c1C#N ZINC000010267136 211158214 /nfs/dbraw/zinc/15/82/14/211158214.db2.gz YDBWWOCUFZLDTE-CQSZACIVSA-N 0 0 349.459 4.723 50 30 EJEARN N#Cc1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1 ZINC000010077405 211145243 /nfs/dbraw/zinc/14/52/43/211145243.db2.gz XGGBGSPLMPQBDM-UHFFFAOYSA-N 0 0 342.424 4.585 50 30 EJEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 ZINC000009341658 211071926 /nfs/dbraw/zinc/07/19/26/211071926.db2.gz RBRRMMLHADEWBB-WQRHYEAKSA-N 0 0 336.387 4.563 50 30 EJEARN C=CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 ZINC000009096157 211038462 /nfs/dbraw/zinc/03/84/62/211038462.db2.gz SYJXZNVXSNEKGB-HNNXBMFYSA-N 0 0 327.449 4.679 50 30 EJEARN CCc1ccc([C@@H](NC(=O)c2cccc(C#N)c2)c2cccs2)cc1 ZINC000008062306 210888366 /nfs/dbraw/zinc/88/83/66/210888366.db2.gz RJXGDSRWCGOKRH-HXUWFJFHSA-N 0 0 346.455 4.702 50 30 EJEARN O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1cccnc1 ZINC000007739815 210840742 /nfs/dbraw/zinc/84/07/42/210840742.db2.gz BEBXJHSNAWWISX-BQYQJAHWSA-N 0 0 326.808 4.755 50 30 EJEARN N#Cc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000006947328 210748685 /nfs/dbraw/zinc/74/86/85/210748685.db2.gz WWRROEMNZKRIAR-UHFFFAOYSA-N 0 0 337.231 4.596 50 30 EJEARN N#Cc1ccc([N+](=O)[O-])cc1Oc1ccc(OCc2ccccc2)cc1 ZINC000006603796 210661562 /nfs/dbraw/zinc/66/15/62/210661562.db2.gz KJZAOEOIJMKXEZ-UHFFFAOYSA-N 0 0 346.342 4.838 50 30 EJEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCc1cccs1 ZINC000096346301 218745303 /nfs/dbraw/zinc/74/53/03/218745303.db2.gz IUVGKBHFCLEIHK-HZPDHXFCSA-N 0 0 335.432 4.533 50 30 EJEARN COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OC ZINC000005514883 210478458 /nfs/dbraw/zinc/47/84/58/210478458.db2.gz UVIGPWQADGJLAG-RMKNXTFCSA-N 0 0 337.202 4.907 50 30 EJEARN C=CCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 ZINC000005203968 210412868 /nfs/dbraw/zinc/41/28/68/210412868.db2.gz HPWDAWBAIPWWAI-UHFFFAOYSA-N 0 0 326.465 4.581 50 30 EJEARN COc1ccc(C(=O)C=C(C)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005090774 210387738 /nfs/dbraw/zinc/38/77/38/210387738.db2.gz AUBFOXTXSGQEBV-ZRDIBKRKSA-N 0 0 335.325 4.913 50 30 EJEARN C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000005092615 210387721 /nfs/dbraw/zinc/38/77/21/210387721.db2.gz OSTOHZGZMZXDDF-GRSHGNNSSA-N 0 0 338.263 4.704 50 30 EJEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccncc3)cc2)c1 ZINC000005051961 210375798 /nfs/dbraw/zinc/37/57/98/210375798.db2.gz WQYVHLGDXLIFOP-BJMVGYQFSA-N 0 0 342.398 4.538 50 30 EJEARN O=C1CCCC2=C1[C@H](c1cccnc1)c1c(ccc3ccccc31)N2 ZINC000005068902 210381565 /nfs/dbraw/zinc/38/15/65/210381565.db2.gz LNRWVRSKPSBSSA-HXUWFJFHSA-N 0 0 326.399 4.799 50 30 EJEARN N#Cc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000005061397 210380492 /nfs/dbraw/zinc/38/04/92/210380492.db2.gz LXCKGVIFQVSXJX-KEBDBYFISA-N 0 0 338.823 4.781 50 30 EJEARN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Br)c(C)c1 ZINC000005041382 210371935 /nfs/dbraw/zinc/37/19/35/210371935.db2.gz KWGHFPMDYXPCNN-PKNBQFBNSA-N 0 0 334.213 4.858 50 30 EJEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000004997279 210353894 /nfs/dbraw/zinc/35/38/94/210353894.db2.gz RZKYUVJGAUFHJN-PKNBQFBNSA-N 0 0 337.306 4.890 50 30 EJEARN CCCSC1=N/C(=C\c2ccc(OC)c3ccccc23)C(=O)S1 ZINC000004907140 210319323 /nfs/dbraw/zinc/31/93/23/210319323.db2.gz MDFYIISNTRFWRE-PTNGSMBKSA-N 0 0 343.473 4.962 50 30 EJEARN C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000004813624 210284761 /nfs/dbraw/zinc/28/47/61/210284761.db2.gz QLQHADMMJOZAGJ-UHFFFAOYSA-N 0 0 348.537 4.661 50 30 EJEARN COc1cccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1OC ZINC000097475306 219028657 /nfs/dbraw/zinc/02/86/57/219028657.db2.gz UVIGPWQADGJLAG-TWGQIWQCSA-N 0 0 337.202 4.907 50 30 EJEARN N#Cc1cc(F)cc(Cl)c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000328595393 258043089 /nfs/dbraw/zinc/04/30/89/258043089.db2.gz TXDFCDGDVYQECL-GFCCVEGCSA-N 0 0 343.745 4.714 50 30 EJEARN N#Cc1nc(-c2ccccc2)oc1NCc1cccc2ccccc21 ZINC000390822174 258003780 /nfs/dbraw/zinc/00/37/80/258003780.db2.gz OWDSWQLJOWBJPT-UHFFFAOYSA-N 0 0 325.371 4.979 50 30 EJEARN C=CCOc1ccc(-c2nnc(-c3ccc(OCCC)cc3)o2)cc1 ZINC000027021157 258016576 /nfs/dbraw/zinc/01/65/76/258016576.db2.gz MGJLNXFUZCPRBJ-UHFFFAOYSA-N 0 0 336.391 4.757 50 30 EJEARN C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000012997916 258017138 /nfs/dbraw/zinc/01/71/38/258017138.db2.gz JMJVTTRVXLLSDW-UHFFFAOYSA-N 0 0 345.446 4.578 50 30 EJEARN CSc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1 ZINC000040139778 258059805 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O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000000182867 563254812 /nfs/dbraw/zinc/25/48/12/563254812.db2.gz NUQXBDNWMNKSSV-YEJXKQKISA-N 0 0 346.386 4.852 50 30 EJEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cc2)ccc1Cl ZINC000000224164 563262636 /nfs/dbraw/zinc/26/26/36/563262636.db2.gz HFHMUNIBZKQJIS-LZYBPNLTSA-N 0 0 339.576 4.761 50 30 EJEARN O=[N+]([O-])c1cccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000000223180 563262652 /nfs/dbraw/zinc/26/26/52/563262652.db2.gz QKPPNUDCRXWJOR-FYJGNVAPSA-N 0 0 342.358 4.889 50 30 EJEARN CC1(C)CC(=O)C(=CNc2ccccc2Oc2ccccc2)C(=O)C1 ZINC000000260243 563268081 /nfs/dbraw/zinc/26/80/81/563268081.db2.gz GNJVHEGJXQNPHF-UHFFFAOYSA-N 0 0 335.403 4.733 50 30 EJEARN C[C@@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1 ZINC000000357831 563291557 /nfs/dbraw/zinc/29/15/57/563291557.db2.gz ZNBKDZHODAQBRP-PLYKVXEXSA-N 0 0 348.830 4.744 50 30 EJEARN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000000449491 563318641 /nfs/dbraw/zinc/31/86/41/563318641.db2.gz 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C[C@H](NC(=S)NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013497291 563699798 /nfs/dbraw/zinc/69/97/98/563699798.db2.gz UQGWXTAWOZSDBV-UGFPPAMCSA-N 0 0 346.515 4.806 50 30 EJEARN C[C@H](NC(=S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013497630 563700315 /nfs/dbraw/zinc/70/03/15/563700315.db2.gz OMQVHWFEZXQLEN-UYIIGHAYSA-N 0 0 328.525 4.667 50 30 EJEARN COc1ccc(CCNC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000013686020 563710827 /nfs/dbraw/zinc/71/08/27/563710827.db2.gz RTCHBBZKPNRAGH-UHFFFAOYSA-N 0 0 328.481 4.759 50 30 EJEARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000004450109 563722304 /nfs/dbraw/zinc/72/23/04/563722304.db2.gz CAWUXHFOUUXDTM-UHFFFAOYSA-N 0 0 342.320 4.615 50 30 EJEARN Cc1ccsc1/C=C1\S/C(=N\c2ccc(C)cc2C)NC1=O ZINC000013880735 563728343 /nfs/dbraw/zinc/72/83/43/563728343.db2.gz NARNKOLBNFQLNO-DHDCSXOGSA-N 0 0 328.462 4.565 50 30 EJEARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000015029722 563773966 /nfs/dbraw/zinc/77/39/66/563773966.db2.gz PKXUUXBVAUEILS-GFCCVEGCSA-N 0 0 330.840 4.525 50 30 EJEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000018180377 563850355 /nfs/dbraw/zinc/85/03/55/563850355.db2.gz CHHFWTGIFLCCID-NRFANRHFSA-N 0 0 348.446 4.917 50 30 EJEARN COc1cc2c(c(/C=C/C(=O)c3cc4ccccc4o3)c1)O[C@@H](C)C2 ZINC000058308677 563942200 /nfs/dbraw/zinc/94/22/00/563942200.db2.gz YPBDJPABXLSYNC-GWJCSSMESA-N 0 0 334.371 4.661 50 30 EJEARN Cc1sc2nc(-c3cccs3)nc(N[C@H](C)CC#N)c2c1C ZINC000058330707 563942768 /nfs/dbraw/zinc/94/27/68/563942768.db2.gz BKIXVIVELWKSBY-SECBINFHSA-N 0 0 328.466 4.751 50 30 EJEARN CC(/C=C/C(=O)c1cccc(N2CCCC2=O)c1)=C/c1ccccc1 ZINC000058407550 563945258 /nfs/dbraw/zinc/94/52/58/563945258.db2.gz YCCQNOLFLILIKU-WLCJKZAOSA-N 0 0 331.415 4.656 50 30 EJEARN O=C1/C(=C/c2cc(F)ccc2F)CC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000097152282 563968344 /nfs/dbraw/zinc/96/83/44/563968344.db2.gz OFPOOPAIEOQXBO-BXIAMOKOSA-N 0 0 341.313 4.703 50 30 EJEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000004740353 563972905 /nfs/dbraw/zinc/97/29/05/563972905.db2.gz QWCAUALQACXDDZ-UAHNYKDTSA-N 0 0 348.446 4.839 50 30 EJEARN O=C1c2ccccc2N[C@H](c2ccccc2)N1N=C1CCCCCC1 ZINC000000079721 563974590 /nfs/dbraw/zinc/97/45/90/563974590.db2.gz UPLIBMGWSORXKJ-FQEVSTJZSA-N 0 0 333.435 4.963 50 30 EJEARN C=CCc1cc(-c2nc3c(cccc3F)n2C2CC2)cc(OC)c1O ZINC000060790867 563974769 /nfs/dbraw/zinc/97/47/69/563974769.db2.gz ONIRJHQAQRWIAL-UHFFFAOYSA-N 0 0 338.382 4.620 50 30 EJEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 ZINC000000094686 563976612 /nfs/dbraw/zinc/97/66/12/563976612.db2.gz MOKBZKKYDJDSDD-CXUHLZMHSA-N 0 0 341.794 4.544 50 30 EJEARN N#CC(c1cccc(C(F)(F)F)c1)=C1NC=CC[C@@H]1C(F)(F)F ZINC000095921856 563977784 /nfs/dbraw/zinc/97/77/84/563977784.db2.gz MCLQCZOGSQKPGN-NEPJUHHUSA-N 0 0 332.247 4.849 50 30 EJEARN COc1ccc(/C=C/C(=O)c2c(Cl)n(C)c3ccccc32)cc1 ZINC000096026278 563977908 /nfs/dbraw/zinc/97/79/08/563977908.db2.gz CUVJHJCKOAGZFN-FMIVXFBMSA-N 0 0 325.795 4.736 50 30 EJEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000004821978 563983186 /nfs/dbraw/zinc/98/31/86/563983186.db2.gz HQVWTWRBJCZJHU-ZHZULCJRSA-N 0 0 346.430 4.865 50 30 EJEARN N#Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000014196979 563983382 /nfs/dbraw/zinc/98/33/82/563983382.db2.gz XDOJMYSCQHIWQJ-UHFFFAOYSA-N 0 0 327.796 4.554 50 30 EJEARN Cc1ccccc1OCc1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 ZINC000000108130 563986566 /nfs/dbraw/zinc/98/65/66/563986566.db2.gz NJJHGWZJVAZUIC-HNNXBMFYSA-N 0 0 333.391 4.607 50 30 EJEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000000186235 563988044 /nfs/dbraw/zinc/98/80/44/563988044.db2.gz UMCSZBBVDPMJBP-NRFANRHFSA-N 0 0 348.446 4.923 50 30 EJEARN N#Cc1cc(Oc2ccc(Br)cc2)nc2ccccc12 ZINC000000190078 563988091 /nfs/dbraw/zinc/98/80/91/563988091.db2.gz LJTWHTQPIAYMDD-UHFFFAOYSA-N 0 0 325.165 4.661 50 30 EJEARN Cc1ccc(-c2c(C#N)c(=S)[nH]c(C)c2C(=O)Nc2ccccc2)o1 ZINC000000239915 563989109 /nfs/dbraw/zinc/98/91/09/563989109.db2.gz BWAWIKQGOUFBLH-UHFFFAOYSA-N 0 0 349.415 4.745 50 30 EJEARN O=C1CCCC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000000271954 563990083 /nfs/dbraw/zinc/99/00/83/563990083.db2.gz DXHQHHJPBCTRKH-QFIPXVFZSA-N 0 0 342.398 4.614 50 30 EJEARN C=CCn1c2ccccc2n2c(C(=O)CC)c(-c3ccccc3)nc12 ZINC000000305193 563990898 /nfs/dbraw/zinc/99/08/98/563990898.db2.gz FIQZQEVQTCZNAL-UHFFFAOYSA-N 0 0 329.403 4.735 50 30 EJEARN O=[N+]([O-])C(C=Nc1ccc(Cl)cc1)=CNc1ccc(Cl)cc1 ZINC000100472765 563992550 /nfs/dbraw/zinc/99/25/50/563992550.db2.gz FXZMGOUUXDYPTD-SUQUQSPJSA-N 0 0 336.178 4.926 50 30 EJEARN Cc1cccc(C(C)C)c1NC(=O)N(CCC#N)CCC(F)(F)F ZINC000079072154 564001016 /nfs/dbraw/zinc/00/10/16/564001016.db2.gz HGHGTKDYKMZGEU-UHFFFAOYSA-N 0 0 341.377 4.818 50 30 EJEARN C=C(C)CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 ZINC000002625536 564003896 /nfs/dbraw/zinc/00/38/96/564003896.db2.gz XROXMXBOSFFRPZ-UHFFFAOYSA-N 0 0 337.448 4.611 50 30 EJEARN Oc1cccc(CN=Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000005529269 564005023 /nfs/dbraw/zinc/00/50/23/564005023.db2.gz JMHRPVPBHJOJLJ-LSHDLFTRSA-N 0 0 346.415 4.510 50 30 EJEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(C(F)(F)F)c1 ZINC000005557007 564005400 /nfs/dbraw/zinc/00/54/00/564005400.db2.gz GKBPRLHJNVMRIT-UVTDQMKNSA-N 0 0 348.349 4.597 50 30 EJEARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)c1ccc(F)c(F)c1 ZINC000007712512 564006884 /nfs/dbraw/zinc/00/68/84/564006884.db2.gz UUXCGOQUIGIHSE-FNORWQNLSA-N 0 0 338.785 4.675 50 30 EJEARN COc1cccc(/C=C\C(=O)c2c(Cl)n(C)c3ccccc32)c1 ZINC000101414703 564019431 /nfs/dbraw/zinc/01/94/31/564019431.db2.gz DGMIHMFFVHAURI-KHPPLWFESA-N 0 0 325.795 4.736 50 30 EJEARN CCCC(=O)C1=C(NCc2ccccc2)C[C@H](c2ccccc2)CC1=O ZINC000102174977 564019892 /nfs/dbraw/zinc/01/98/92/564019892.db2.gz VPSVLRKVNJPNHL-IBGZPJMESA-N 0 0 347.458 4.546 50 30 EJEARN CCCCCCCCNC(CC)=C1N=C(c2ccccc2)OC1=O ZINC000110221240 564020945 /nfs/dbraw/zinc/02/09/45/564020945.db2.gz PPZCPVVCNFADBU-ZCXUNETKSA-N 0 0 328.456 4.562 50 30 EJEARN CCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000102993678 564021119 /nfs/dbraw/zinc/02/11/19/564021119.db2.gz GSDXZSSYOODLSC-UHFFFAOYSA-N 0 0 339.439 4.633 50 30 EJEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 ZINC000000552610 564022999 /nfs/dbraw/zinc/02/29/99/564022999.db2.gz AHESLJGETLYVKM-UHFFFAOYSA-N 0 0 344.462 4.632 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2cccc(Br)c2)cc1 ZINC000051318855 564024496 /nfs/dbraw/zinc/02/44/96/564024496.db2.gz WJOHKEWMJACXAO-ZHACJKMWSA-N 0 0 346.224 4.656 50 30 EJEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(C(C)C)cc2)c1 ZINC000051318549 564024506 /nfs/dbraw/zinc/02/45/06/564024506.db2.gz AYVMMGKVZIKOSR-VAWYXSNFSA-N 0 0 325.408 4.636 50 30 EJEARN Cc1ccc(-c2noc(SCC#Cc3ccc(Cl)cc3)n2)cc1 ZINC000025185569 564026409 /nfs/dbraw/zinc/02/64/09/564026409.db2.gz XMKDNNRAGFCDAS-UHFFFAOYSA-N 0 0 340.835 4.842 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2cc(C)ccc2OC)cc1 ZINC000044842998 564027402 /nfs/dbraw/zinc/02/74/02/564027402.db2.gz DKJXCPFGCZEHSX-OUKQBFOZSA-N 0 0 339.435 4.991 50 30 EJEARN Cc1ccc(F)cc1NC=CC(=O)c1ccc(Br)cc1 ZINC000044843497 564027433 /nfs/dbraw/zinc/02/74/33/564027433.db2.gz CPGKVDSGJKWQGN-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN CCOc1ccc2c(c1)C(=O)/C(=C(/C)NCc1ccc(F)cc1)S2 ZINC000108825934 564028499 /nfs/dbraw/zinc/02/84/99/564028499.db2.gz SJDTYUFWMSNKRR-XDHOZWIPSA-N 0 0 343.423 4.534 50 30 EJEARN Cc1ccc(C(=O)/C=C/C(Cl)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000048324566 564030937 /nfs/dbraw/zinc/03/09/37/564030937.db2.gz UBQZKVXFGLBCSM-MDHDVOIXSA-N 0 0 327.767 4.922 50 30 EJEARN C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCCC3 ZINC000002895494 564036370 /nfs/dbraw/zinc/03/63/70/564036370.db2.gz UQLXPDNKPKTCTP-UHFFFAOYSA-N 0 0 346.521 4.581 50 30 EJEARN N#Cc1ccccc1CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000015033917 564052843 /nfs/dbraw/zinc/05/28/43/564052843.db2.gz SEBVBMHBLSDEAM-NRFANRHFSA-N 0 0 330.456 4.767 50 30 EJEARN COc1cc(OC)c(N=Cc2c(O)ccc3ccccc32)cc1Cl ZINC000254403341 564053684 /nfs/dbraw/zinc/05/36/84/564053684.db2.gz GNCOPYUPLGOZEE-UHFFFAOYSA-N 0 0 341.794 4.967 50 30 EJEARN N#Cc1cnc(Nc2ccc(Cl)cc2)c(C#N)c1Nc1ccccc1 ZINC000000977864 564053763 /nfs/dbraw/zinc/05/37/63/564053763.db2.gz MADUPOSQLVHUCZ-UHFFFAOYSA-N 0 0 345.793 4.966 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1Br)CC2 ZINC000005908888 564056941 /nfs/dbraw/zinc/05/69/41/564056941.db2.gz IRWODYDMECMAEM-UVTDQMKNSA-N 0 0 343.220 4.670 50 30 EJEARN C/C(=N/OC(=O)c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000044790626 564060378 /nfs/dbraw/zinc/06/03/78/564060378.db2.gz JBPHTJHJDHKCQZ-HAHDFKILSA-N 0 0 327.383 4.839 50 30 EJEARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000012621860 564060951 /nfs/dbraw/zinc/06/09/51/564060951.db2.gz IOXRJOIMBMPBEA-UHFFFAOYSA-N 0 0 344.292 4.884 50 30 EJEARN N#Cc1c(Cl)nc(SCc2ccccc2)nc1-c1ccccc1 ZINC000001383183 564063914 /nfs/dbraw/zinc/06/39/14/564063914.db2.gz AEXBGUMFZCKXCD-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN N#Cc1cc(-c2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000001387396 564064277 /nfs/dbraw/zinc/06/42/77/564064277.db2.gz SGVQECBUQKQUGE-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN Cc1ccccc1-c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1 ZINC000001396385 564064422 /nfs/dbraw/zinc/06/44/22/564064422.db2.gz BPVLCYZQHISIHY-UHFFFAOYSA-N 0 0 344.805 4.897 50 30 EJEARN CCN(CC)c1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N ZINC000001393450 564064432 /nfs/dbraw/zinc/06/44/32/564064432.db2.gz MCHQKVORVVRFOP-UHFFFAOYSA-N 0 0 328.419 4.528 50 30 EJEARN Cc1cccc(CO/N=C2\c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000001403309 564065089 /nfs/dbraw/zinc/06/50/89/564065089.db2.gz LMKFVJHQWLSMJX-XTQSDGFTSA-N 0 0 342.398 4.594 50 30 EJEARN C#CCN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCCCC1 ZINC000057994351 564065229 /nfs/dbraw/zinc/06/52/29/564065229.db2.gz LXQIYMVLXJZGGF-UHFFFAOYSA-N 0 0 328.214 4.541 50 30 EJEARN O=C(Nc1cccc(Cl)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000014125927 564074114 /nfs/dbraw/zinc/07/41/14/564074114.db2.gz XBWBLDUDTIXPJT-UHFFFAOYSA-N 0 0 331.802 4.992 50 30 EJEARN Cc1ccc(-c2noc(-c3cncc(C#Cc4ccccc4)c3)n2)cc1 ZINC000000170200 564074484 /nfs/dbraw/zinc/07/44/84/564074484.db2.gz DORKDVZIVVGKAK-UHFFFAOYSA-N 0 0 337.382 4.507 50 30 EJEARN N#Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 ZINC000001512012 564075082 /nfs/dbraw/zinc/07/50/82/564075082.db2.gz MQONJXAKXKAXKH-UHFFFAOYSA-N 0 0 339.807 4.587 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345620 564076570 /nfs/dbraw/zinc/07/65/70/564076570.db2.gz CRCLPPBJMHAOFC-WZPGBXLZSA-N 0 0 330.512 4.905 50 30 EJEARN C=C(Cl)CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000075142413 564080685 /nfs/dbraw/zinc/08/06/85/564080685.db2.gz OADFZXBVFRXQFR-UHFFFAOYSA-N 0 0 339.744 4.855 50 30 EJEARN CCCCCc1ccc(C#Cc2ccc(Br)nc2)cc1 ZINC000075279713 564081464 /nfs/dbraw/zinc/08/14/64/564081464.db2.gz UCWXQHGLSCSDLU-UHFFFAOYSA-N 0 0 328.253 4.977 50 30 EJEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000252625357 564086984 /nfs/dbraw/zinc/08/69/84/564086984.db2.gz QICQPLJRICSWAK-UHFFFAOYSA-N 0 0 325.412 4.516 50 30 EJEARN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000490791 564090548 /nfs/dbraw/zinc/09/05/48/564090548.db2.gz PDMMFKSKQVNJMI-BLQWBTBKSA-N 0 0 344.495 4.840 50 30 biogenic,world EJEARN N#C[C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000426442525 564093768 /nfs/dbraw/zinc/09/37/68/564093768.db2.gz KREONHRJZDZKTF-CYBMUJFWSA-N 0 0 342.801 4.522 50 30 EJEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 ZINC000006768477 564097429 /nfs/dbraw/zinc/09/74/29/564097429.db2.gz QWICZQRDIYPZEX-UHFFFAOYSA-N 0 0 333.439 4.508 50 30 EJEARN Cc1nn2c(nc(Oc3ccccc3C#N)c3ccccc32)c1Cl ZINC000016737800 564112994 /nfs/dbraw/zinc/11/29/94/564112994.db2.gz NVAKJLYKJCQGLF-UHFFFAOYSA-N 0 0 334.766 4.508 50 30 EJEARN O=[N+]([O-])c1ccc(C=Nc2ccc(Br)c(Cl)c2)s1 ZINC000252460059 564118670 /nfs/dbraw/zinc/11/86/70/564118670.db2.gz BGRXFMDYTJSNTG-UHFFFAOYSA-N 0 0 345.605 4.823 50 30 EJEARN CCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 ZINC000002206674 564121129 /nfs/dbraw/zinc/12/11/29/564121129.db2.gz VRNYFWPSRRSINH-CAPFRKAQSA-N 0 0 349.430 4.990 50 30 EJEARN CC1=CC(=NOC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000252599696 564121172 /nfs/dbraw/zinc/12/11/72/564121172.db2.gz DKDNJLJBXFPMLI-UHFFFAOYSA-N 0 0 336.229 4.728 50 30 EJEARN CCCOc1ccc(C(=O)ON=C(CC)c2ccc(C)cc2)cc1 ZINC000252622954 564122934 /nfs/dbraw/zinc/12/29/34/564122934.db2.gz OGOJNWSGENMBCM-UHFFFAOYSA-N 0 0 325.408 4.755 50 30 EJEARN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 ZINC000252628149 564123462 /nfs/dbraw/zinc/12/34/62/564123462.db2.gz SJIFOSANGFGZMJ-UHFFFAOYSA-N 0 0 344.421 4.616 50 30 EJEARN C=CCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000252629621 564123538 /nfs/dbraw/zinc/12/35/38/564123538.db2.gz UKDAATLWHBEWFP-UHFFFAOYSA-N 0 0 335.432 4.821 50 30 EJEARN C=CCn1c(SCCCC)nc2sc3c(c2c1=O)C[C@@H](C)CC3 ZINC000002229766 564124611 /nfs/dbraw/zinc/12/46/11/564124611.db2.gz HGXPICYSSVRZAZ-LBPRGKRZSA-N 0 0 348.537 4.661 50 30 EJEARN Cn1c2ccccc2ccc1=NN=C1c2ccccc2-c2ccccc21 ZINC000252675653 564124849 /nfs/dbraw/zinc/12/48/49/564124849.db2.gz UPPBIMDRNQERCE-UHFFFAOYSA-N 0 0 335.410 4.512 50 30 EJEARN CC(=NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000252679599 564124900 /nfs/dbraw/zinc/12/49/00/564124900.db2.gz OSTOHZGZMZXDDF-UHFFFAOYSA-N 0 0 338.263 4.704 50 30 EJEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1)C3=O ZINC000253403887 564130621 /nfs/dbraw/zinc/13/06/21/564130621.db2.gz HNONUYPNKZFFGS-JQFNYASXSA-N 0 0 348.398 4.742 50 30 biogenic EJEARN N#Cc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1 ZINC000000124422 564132860 /nfs/dbraw/zinc/13/28/60/564132860.db2.gz MYAMXMLKPMCWLI-UHFFFAOYSA-N 0 0 331.322 4.763 50 30 EJEARN N#Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000000188738 564132988 /nfs/dbraw/zinc/13/29/88/564132988.db2.gz PSTZKQQLLLPSDI-OAQYLSRUSA-N 0 0 338.410 4.503 50 30 EJEARN Cc1nonc1[N-][NH+]=C1C=CC(=O)C(C=Nc2cc(C)ccc2C)=C1 ZINC000253531977 564133041 /nfs/dbraw/zinc/13/30/41/564133041.db2.gz YQVQXOXTUKFXGP-UHFFFAOYSA-N 0 0 335.367 4.866 50 30 EJEARN N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCCC2 ZINC000000484034 564133298 /nfs/dbraw/zinc/13/32/98/564133298.db2.gz SESNHDVPEIKYQU-MDZDMXLPSA-N 0 0 342.489 4.992 50 30 EJEARN Cc1cc(-c2cccnc2)c(C#N)c(SCc2cccc(F)c2)n1 ZINC000000523444 564133386 /nfs/dbraw/zinc/13/33/86/564133386.db2.gz RMRHNGGKWOPAEI-UHFFFAOYSA-N 0 0 335.407 4.755 50 30 EJEARN CCc1cccc2c(C#N)cn(Cc3ccc(Br)cc3)c21 ZINC000000613269 564133473 /nfs/dbraw/zinc/13/34/73/564133473.db2.gz NJIRTUMAFJSLAX-UHFFFAOYSA-N 0 0 339.236 4.886 50 30 EJEARN Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)cc1 ZINC000000614382 564133485 /nfs/dbraw/zinc/13/34/85/564133485.db2.gz UONGXGWEGOAFRX-UHFFFAOYSA-N 0 0 333.338 4.744 50 30 EJEARN C=CCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 ZINC000002372126 564133893 /nfs/dbraw/zinc/13/38/93/564133893.db2.gz PTYVDSBULLRGLW-UHFFFAOYSA-N 0 0 344.436 4.966 50 30 EJEARN CC(C)N(C(=O)c1ccccc1-c1cc(C#N)n(C(F)F)c1)C(C)C ZINC000426662108 564135085 /nfs/dbraw/zinc/13/50/85/564135085.db2.gz LXGHKWIPPBBPRF-UHFFFAOYSA-N 0 0 345.393 4.681 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3c(F)cccc3Cl)sc2C1 ZINC000013326344 564136210 /nfs/dbraw/zinc/13/62/10/564136210.db2.gz BGTPKRYYEQTWSB-VIFPVBQESA-N 0 0 348.830 4.789 50 30 EJEARN CN1c2ccccc2/C(=N\c2ccc(Oc3ccccc3)cc2)C1=O ZINC000013396650 564136338 /nfs/dbraw/zinc/13/63/38/564136338.db2.gz MMRDSTVCJDLTGG-LSDHQDQOSA-N 0 0 328.371 4.576 50 30 EJEARN C=CCc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc21 ZINC000095471156 564141254 /nfs/dbraw/zinc/14/12/54/564141254.db2.gz WSUASTHJXYIJNP-UHFFFAOYSA-N 0 0 330.387 4.682 50 30 EJEARN CCCN(Cc1ccc(C#N)cc1)Cc1nc(Cl)ccc1Cl ZINC000096012926 564144745 /nfs/dbraw/zinc/14/47/45/564144745.db2.gz BDPBYLWWGXCKGR-UHFFFAOYSA-N 0 0 334.250 4.672 50 30 EJEARN Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCCC3)o1 ZINC000002734324 564152335 /nfs/dbraw/zinc/15/23/35/564152335.db2.gz JCEZRAPPVHVZKL-ZHACJKMWSA-N 0 0 340.448 4.832 50 30 EJEARN N#Cc1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 ZINC000002740111 564152340 /nfs/dbraw/zinc/15/23/40/564152340.db2.gz UAFQSUNYTKBKPC-UHFFFAOYSA-N 0 0 325.437 4.923 50 30 EJEARN N#Cc1ccc(F)c(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000057661261 564155381 /nfs/dbraw/zinc/15/53/81/564155381.db2.gz MVALXMGLPUEYIU-QGZVFWFLSA-N 0 0 337.423 4.644 50 30 EJEARN CCSc1nc(-c2cccs2)c(C(=O)C(F)(F)F)cc1C#N ZINC000003174866 564155657 /nfs/dbraw/zinc/15/56/57/564155657.db2.gz FQOBHFVWPITDBE-UHFFFAOYSA-N 0 0 342.367 4.539 50 30 EJEARN Cc1cccc(-n2c(SCc3ccccc3C#N)nnc2C(C)C)c1 ZINC000004185133 564161062 /nfs/dbraw/zinc/16/10/62/564161062.db2.gz QQECYEJZXFUUBD-UHFFFAOYSA-N 0 0 348.475 4.863 50 30 EJEARN C=CCNc1nnc(S[C@@H](C)c2nc3ccccc3s2)s1 ZINC000008131573 564163008 /nfs/dbraw/zinc/16/30/08/564163008.db2.gz DUPJRVDPLUDSBI-VIFPVBQESA-N 0 0 334.495 4.599 50 30 EJEARN Cc1ccc(O)c(/N=C/c2cc(C)c(C)c(Br)c2O)c1 ZINC000008556628 564165699 /nfs/dbraw/zinc/16/56/99/564165699.db2.gz UNUYWNOALOLSFY-QGMBQPNBSA-N 0 0 334.213 4.536 50 30 EJEARN COc1cc(C)c(NC(=S)Nc2cccc(Cl)c2)cc1OC ZINC000008684957 564166339 /nfs/dbraw/zinc/16/63/39/564166339.db2.gz XSEQVNATOADPHF-UHFFFAOYSA-N 0 0 336.844 4.695 50 30 EJEARN Cc1ccc2c(CC(=O)[C@H](C#N)c3nc4ccccc4s3)c[nH]c2c1 ZINC000069565362 564170513 /nfs/dbraw/zinc/17/05/13/564170513.db2.gz BZXBACSMNCDZLY-HNNXBMFYSA-N 0 0 345.427 4.505 50 30 EJEARN O=C(CN1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000050914230 214071843 /nfs/dbraw/zinc/07/18/43/214071843.db2.gz VQPOQESZEQXKHI-UHFFFAOYSA-N 0 0 335.860 4.537 50 30 EJEARN COc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000004739374 210265631 /nfs/dbraw/zinc/26/56/31/210265631.db2.gz UPZNWYQMUCBOFC-UDWIEESQSA-N 0 0 336.347 4.922 50 30 EJEARN Cc1cc(NN=Cc2c(O)ccc3ccccc32)nc2ccccc12 ZINC000004677919 210244596 /nfs/dbraw/zinc/24/45/96/210244596.db2.gz HNDWLDLYWWZWJR-LPYMAVHISA-N 0 0 327.387 4.848 50 30 EJEARN CCOc1ccc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2c1 ZINC000004668788 210241813 /nfs/dbraw/zinc/24/18/13/210241813.db2.gz YWXGZDZAWBREOQ-SOFGYWHQSA-N 0 0 327.767 4.776 50 30 EJEARN O=C1SC(SCc2ccccc2Cl)=N/C1=C\c1ccco1 ZINC000004660200 210240502 /nfs/dbraw/zinc/24/05/02/210240502.db2.gz WQZVBSJYPYUDEP-JYRVWZFOSA-N 0 0 335.837 4.837 50 30 EJEARN CCc1nc(SCc2cccnc2)c(C#N)c(C(F)(F)F)c1C ZINC000004624066 210234058 /nfs/dbraw/zinc/23/40/58/210234058.db2.gz GASIUMWVPKQMSK-UHFFFAOYSA-N 0 0 337.370 4.530 50 30 EJEARN c1ccc(NN=C(Cc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000004597019 210229053 /nfs/dbraw/zinc/22/90/53/210229053.db2.gz GPJXKSUKJQPNSS-LKUDQCMESA-N 0 0 326.403 4.622 50 30 EJEARN CCCC(=NOCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000100044971 219088773 /nfs/dbraw/zinc/08/87/73/219088773.db2.gz CSPPKDPQLUUTND-DTBJURTMSA-N 0 0 327.490 4.502 50 30 in-vitro EJEARN COc1ccc(/C=C\C(=O)c2ccc3c4c(cccc42)CC3)cc1OC ZINC000004531875 210214483 /nfs/dbraw/zinc/21/44/83/210214483.db2.gz IFPFGCQMNFFWET-SDQBBNPISA-N 0 0 344.410 4.852 50 30 EJEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccccc3)n2)c(C)c1 ZINC000004523591 210213930 /nfs/dbraw/zinc/21/39/30/210213930.db2.gz SFDBAKXDDLYJTR-HAVVHWLPSA-N 0 0 332.432 4.767 50 30 EJEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000004523589 210214038 /nfs/dbraw/zinc/21/40/38/210214038.db2.gz IMHRCUCCVYFVFX-XQNSMLJCSA-N 0 0 336.395 4.597 50 30 EJEARN C=CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccccc1 ZINC000100074735 219090541 /nfs/dbraw/zinc/09/05/41/219090541.db2.gz XYNRBBPULAENOU-DQDQKTFQSA-N 0 0 326.446 4.538 50 30 EJEARN C=C(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000004520477 210212745 /nfs/dbraw/zinc/21/27/45/210212745.db2.gz SPSJGXNKAMEISX-UHFFFAOYSA-N 0 0 327.236 4.555 50 30 EJEARN CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000004517401 210211454 /nfs/dbraw/zinc/21/14/54/210211454.db2.gz YBTXXZPSKICUDW-LLVKDONJSA-N 0 0 342.489 4.719 50 30 EJEARN Cc1ccc2c(c1)/C(=N/c1ccc(Oc3ccccc3)cc1)C(=O)N2 ZINC000004505643 210207967 /nfs/dbraw/zinc/20/79/67/210207967.db2.gz UGOVJXQEVZDTMG-UHFFFAOYSA-N 0 0 328.371 4.860 50 30 EJEARN CCC(Nc1ccc(C)cc1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100483912 219100210 /nfs/dbraw/zinc/10/02/10/219100210.db2.gz KYZDAVXJFYISEA-UHFFFAOYSA-N 0 0 333.431 4.787 50 30 EJEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 ZINC000004475424 210196439 /nfs/dbraw/zinc/19/64/39/210196439.db2.gz SVAHCNHLHQQXBC-XDHOZWIPSA-N 0 0 338.392 4.554 50 30 EJEARN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccccc3)o2)c(Cl)c1 ZINC000004401846 210186938 /nfs/dbraw/zinc/18/69/38/210186938.db2.gz YJGAKMVPGZYYBN-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN Cc1ccc(C)n1-c1ccc(C=NNc2ccc(F)cc2F)cc1 ZINC000004363053 210180100 /nfs/dbraw/zinc/18/01/00/210180100.db2.gz WKLHEXSIZBTBEA-WSDLNYQXSA-N 0 0 325.362 4.818 50 30 EJEARN Cc1ccc(-n2c(SCc3ccccc3C#N)nnc2C2CC2)cc1 ZINC000004366313 210179823 /nfs/dbraw/zinc/17/98/23/210179823.db2.gz VKGKWPSOZSFNHP-UHFFFAOYSA-N 0 0 346.459 4.617 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/OCc2cc(Cl)sc2Cl)cc1 ZINC000004323438 210170327 /nfs/dbraw/zinc/17/03/27/210170327.db2.gz ALRQECSVBQKHBK-GIDUJCDVSA-N 0 0 331.180 4.514 50 30 EJEARN CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004320955 210170035 /nfs/dbraw/zinc/17/00/35/210170035.db2.gz UDVQBVAEHUFFQB-PYCFMQQDSA-N 0 0 339.435 4.608 50 30 EJEARN CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccco3)cc2c1 ZINC000004280309 210161575 /nfs/dbraw/zinc/16/15/75/210161575.db2.gz AKIYHXAPNCWHKU-VMPITWQZSA-N 0 0 327.767 4.776 50 30 EJEARN C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc(F)c1 ZINC000004276245 210158334 /nfs/dbraw/zinc/15/83/34/210158334.db2.gz RWAOMBZYSBNEJE-ZHACJKMWSA-N 0 0 338.407 4.807 50 30 EJEARN Cc1cc(C)c(C#N)c(SCc2csc(-c3ccccc3)n2)n1 ZINC000004248243 210150661 /nfs/dbraw/zinc/15/06/61/210150661.db2.gz ZILQYOVIHWXCQU-UHFFFAOYSA-N 0 0 337.473 4.986 50 30 EJEARN CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000004118268 210124866 /nfs/dbraw/zinc/12/48/66/210124866.db2.gz DLRLYMYOBXUZDO-AWNIVKPZSA-N 0 0 326.367 4.673 50 30 EJEARN N#CCCSc1ccccc1NC(=O)c1ccc2ncsc2c1 ZINC000004088503 210117471 /nfs/dbraw/zinc/11/74/71/210117471.db2.gz GBJAKXSHXZFYFW-UHFFFAOYSA-N 0 0 339.445 4.554 50 30 EJEARN C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 ZINC000004070050 210111371 /nfs/dbraw/zinc/11/13/71/210111371.db2.gz ANLKTZXNULWNEE-SNVBAGLBSA-N 0 0 330.840 4.650 50 30 EJEARN COc1cc(C(C)=NNc2ccc(Cl)cc2C)cc(OC)c1OC ZINC000003909145 210091777 /nfs/dbraw/zinc/09/17/77/210091777.db2.gz RZQPLTFZEBOLDV-NDENLUEZSA-N 0 0 348.830 4.510 50 30 EJEARN COc1ccc2c(c1)C(=NNc1cccc(F)c1)c1cc(OC)ccc1-2 ZINC000003909560 210091653 /nfs/dbraw/zinc/09/16/53/210091653.db2.gz SWINMBRXFGZGED-UHFFFAOYSA-N 0 0 348.377 4.688 50 30 EJEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C3CCCC3)sc2C1 ZINC000003901359 210087270 /nfs/dbraw/zinc/08/72/70/210087270.db2.gz AILJKXMZNMOMNH-ZDUSSCGKSA-N 0 0 330.497 4.899 50 30 EJEARN C[C@@H](C/N=C\c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000003622740 210067917 /nfs/dbraw/zinc/06/79/17/210067917.db2.gz BIWHCRMFAZGNGA-NWUSPQHDSA-N 0 0 329.443 4.678 50 30 EJEARN N#Cc1ccccc1COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003365808 210018992 /nfs/dbraw/zinc/01/89/92/210018992.db2.gz ZAQZWBCGGXSRSB-UHFFFAOYSA-N 0 0 331.346 4.507 50 30 EJEARN CCSC1=N/C(=C/C=C2/N(C)c3ccccc3C2(C)C)C(=O)S1 ZINC000003149556 209971356 /nfs/dbraw/zinc/97/13/56/209971356.db2.gz UQQJMUWHPMMXCE-FVIOEUFFSA-N 0 0 344.505 4.564 50 30 EJEARN C=CCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000003087718 209962422 /nfs/dbraw/zinc/96/24/22/209962422.db2.gz HBDYDHKXXFIORO-UHFFFAOYSA-N 0 0 326.368 4.979 50 30 EJEARN N#Cc1c(N)c(C#N)c(-c2ccccc2Cl)cc1-c1ccccc1 ZINC000002883540 209936812 /nfs/dbraw/zinc/93/68/12/209936812.db2.gz FIMUKSGOSIJUDK-UHFFFAOYSA-N 0 0 329.790 5.000 50 30 EJEARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)sc2C)cc1 ZINC000068233930 215292675 /nfs/dbraw/zinc/29/26/75/215292675.db2.gz HXROJFXYTRKLGT-UHFFFAOYSA-N 0 0 348.427 4.856 50 30 EJEARN CCCCCCNc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 ZINC000020840721 202056091 /nfs/dbraw/zinc/05/60/91/202056091.db2.gz LJGBHERFLBEVCQ-UHFFFAOYSA-N 0 0 329.488 4.920 50 30 EJEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000021660298 202068755 /nfs/dbraw/zinc/06/87/55/202068755.db2.gz CEPYRKHJFMICQJ-MRXNPFEDSA-N 0 0 342.826 4.837 50 30 EJEARN CCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000022343003 202084135 /nfs/dbraw/zinc/08/41/35/202084135.db2.gz BHPWWFYSDCIKIC-UHFFFAOYSA-N 0 0 338.455 4.560 50 30 EJEARN CCc1c(C)sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000000433950 209598223 /nfs/dbraw/zinc/59/82/23/209598223.db2.gz XWPQDGJIVGEFNV-SNVBAGLBSA-N 0 0 348.855 4.550 50 30 EJEARN CC1CCN(c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2)CC1 ZINC000032975272 202245630 /nfs/dbraw/zinc/24/56/30/202245630.db2.gz ZYJCZFLWYQFTSS-UHFFFAOYSA-N 0 0 344.418 4.512 50 30 EJEARN Cc1sc(NC(=O)Cc2coc3cc(C)c(C)cc23)c(C#N)c1C ZINC000032986031 202246286 /nfs/dbraw/zinc/24/62/86/202246286.db2.gz BXDALLOEBQOFNU-UHFFFAOYSA-N 0 0 338.432 4.781 50 30 EJEARN CN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000032614584 212819952 /nfs/dbraw/zinc/81/99/52/212819952.db2.gz QHKYNSJLXNWILC-UHFFFAOYSA-N 0 0 338.476 4.551 50 30 EJEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc1 ZINC000036352850 202323238 /nfs/dbraw/zinc/32/32/38/202323238.db2.gz IHPPQMVMXPFVDA-CQSZACIVSA-N 0 0 348.793 4.521 50 30 EJEARN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000000221986 209494531 /nfs/dbraw/zinc/49/45/31/209494531.db2.gz JJULXKQOERBVRE-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN CN(C)c1ccc(/C=C2/CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000000175836 209465192 /nfs/dbraw/zinc/46/51/92/209465192.db2.gz GPXHIYXWGUYGHF-IKBKFCNISA-N 0 0 346.474 4.649 50 30 EJEARN N#Cc1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCCC2 ZINC000000146273 209448673 /nfs/dbraw/zinc/44/86/73/209448673.db2.gz HKNQVPNFSMEJHV-UHFFFAOYSA-N 0 0 346.455 4.833 50 30 EJEARN N#Cc1nc(-c2ccccc2)oc1NCCSc1ccc(F)cc1 ZINC000072427570 216219036 /nfs/dbraw/zinc/21/90/36/216219036.db2.gz IVMHNFAYOJRIAZ-UHFFFAOYSA-N 0 0 339.395 4.557 50 30 EJEARN C[C@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@H]1C ZINC000027018753 212544573 /nfs/dbraw/zinc/54/45/73/212544573.db2.gz INHNHGUBWMXLHV-ZMTKBKFLSA-N 0 0 344.414 4.772 50 30 EJEARN C=C(C)COc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000000465087 201357215 /nfs/dbraw/zinc/35/72/15/201357215.db2.gz KQGMXQDFYCCHHU-UHFFFAOYSA-N 0 0 338.359 4.549 50 30 biogenic EJEARN CC(=O)Nc1ccc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc1 ZINC000096930485 201378086 /nfs/dbraw/zinc/37/80/86/201378086.db2.gz SUOKBMGRYKEQNQ-JYRVWZFOSA-N 0 0 343.835 4.670 50 30 EJEARN CCCN(CCC)c1ccc(/C=C2/Cc3c(cccc3O)C2=O)cc1 ZINC000096931941 201378534 /nfs/dbraw/zinc/37/85/34/201378534.db2.gz QGKOCGXQXTYGJA-VKAVYKQESA-N 0 0 335.447 4.841 50 30 EJEARN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C)cc3)nc1-2 ZINC000000208835 201448331 /nfs/dbraw/zinc/44/83/31/201448331.db2.gz HBJINGKZXLJDLA-CIAFOILYSA-N 0 0 334.444 4.976 50 30 EJEARN Cc1cc([C@H]2CCCCN2Cc2ccc(-c3ccccc3C#N)o2)no1 ZINC000216124075 241166235 /nfs/dbraw/zinc/16/62/35/241166235.db2.gz FXCTXJIOBNLEIK-HXUWFJFHSA-N 0 0 347.418 4.842 50 30 EJEARN CC(C)=C1Oc2c(ccc3c2[C@@H](C2CCCCC2)CC(=O)O3)C1=O ZINC000217597098 241263077 /nfs/dbraw/zinc/26/30/77/241263077.db2.gz HVIGIMNFKLQKOO-CQSZACIVSA-N 0 0 326.392 4.529 50 30 biogenic EJEARN Cn1nc(-c2ccccc2)c(C#N)c1Sc1ccccc1Cl ZINC000001387619 201505724 /nfs/dbraw/zinc/50/57/24/201505724.db2.gz GEVLNPHAUTYHCZ-UHFFFAOYSA-N 0 0 325.824 4.763 50 30 EJEARN CSc1ccc(NCc2ncc(-c3ccc(C#N)cc3)o2)cc1F ZINC000225452177 241869560 /nfs/dbraw/zinc/86/95/60/241869560.db2.gz HWYSVHSKWQMCRU-UHFFFAOYSA-N 0 0 339.395 4.686 50 30 EJEARN N#Cc1cnn2c1N[C@H](c1ccc3ccccc3c1)C[C@H]2C(F)(F)F ZINC000002747943 201542937 /nfs/dbraw/zinc/54/29/37/201542937.db2.gz KTMODFAARXPDQS-HOTGVXAUSA-N 0 0 342.324 4.568 50 30 EJEARN C=CCNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 ZINC000021275202 212218327 /nfs/dbraw/zinc/21/83/27/212218327.db2.gz AYWKRAIMXULQCU-UHFFFAOYSA-N 0 0 335.432 4.660 50 30 EJEARN Cc1cc(Br)c(C(C)C)c(Br)c1OCC#N ZINC000005792815 201664093 /nfs/dbraw/zinc/66/40/93/201664093.db2.gz CRFUQRNPLOOPEE-UHFFFAOYSA-N 0 0 347.050 4.546 50 30 EJEARN CC(C)(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000020617340 212156003 /nfs/dbraw/zinc/15/60/03/212156003.db2.gz DELDZCQTBKUTOE-GJZGRUSLSA-N 0 0 348.372 4.713 50 30 EJEARN O=c1ccc2c([nH]1)CCC[C@H]2/N=C/c1sc2ccccc2c1Cl ZINC000069487552 203007879 /nfs/dbraw/zinc/00/78/79/203007879.db2.gz RCFURXBWPZQGSG-RNDVCUHJSA-N 0 0 342.851 4.740 50 30 EJEARN COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(F)cc3)cc2c1 ZINC000069701154 203038687 /nfs/dbraw/zinc/03/86/87/203038687.db2.gz UCFZTPUYKNQWTL-RUDMXATFSA-N 0 0 341.769 4.932 50 30 EJEARN CCN1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC000020470060 212134870 /nfs/dbraw/zinc/13/48/70/212134870.db2.gz NISBFRROYAVHJK-JFMUQQRKSA-N 0 0 331.459 4.675 50 30 EJEARN CSc1nc(-c2ccccc2)c(C#N)c(N(C)c2ccccc2)n1 ZINC000019820462 212072418 /nfs/dbraw/zinc/07/24/18/212072418.db2.gz MTLVLAWQMGGIGX-UHFFFAOYSA-N 0 0 332.432 4.505 50 30 EJEARN C=CCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820434 212072129 /nfs/dbraw/zinc/07/21/29/212072129.db2.gz IZSBTWNKVMOBSK-UHFFFAOYSA-N 0 0 338.480 4.633 50 30 EJEARN Cc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000019807865 212071036 /nfs/dbraw/zinc/07/10/36/212071036.db2.gz NQNOUNZRISKNFT-CXDOZEDNSA-N 0 0 347.443 4.710 50 30 EJEARN COc1cccc(/C=C\C(=O)c2ccc(Cl)s2)c1OC(F)F ZINC000096766595 203897126 /nfs/dbraw/zinc/89/71/26/203897126.db2.gz PCHNEUXSYZOQSS-WAYWQWQTSA-N 0 0 344.766 4.908 50 30 EJEARN Cc1ccc([N+](=O)[O-])cc1/N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000103749129 204086140 /nfs/dbraw/zinc/08/61/40/204086140.db2.gz BEAQFEMKEUFOIU-AHWQLZTKSA-N 0 0 335.407 4.917 50 30 EJEARN Cc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)s1 ZINC000015016294 211790271 /nfs/dbraw/zinc/79/02/71/211790271.db2.gz LQGTWZFMXRSHKT-JYRVWZFOSA-N 0 0 334.853 4.602 50 30 EJEARN Cc1ccc(/N=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000014671495 211752122 /nfs/dbraw/zinc/75/21/22/211752122.db2.gz WSWZUMJEYGWPBF-FCDQGJHFSA-N 0 0 330.431 4.966 50 30 EJEARN N#Cc1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000012813469 211464184 /nfs/dbraw/zinc/46/41/84/211464184.db2.gz WYXXTPXYZVLOGY-UHFFFAOYSA-N 0 0 326.808 4.914 50 30 EJEARN N#CCCn1c2ccccc2nc1COc1ccc(Cl)cc1Cl ZINC000012360413 211356305 /nfs/dbraw/zinc/35/63/05/211356305.db2.gz WFPBSMWBNNNOGM-UHFFFAOYSA-N 0 0 346.217 4.836 50 30 EJEARN Fc1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1F ZINC000012360530 211355364 /nfs/dbraw/zinc/35/53/64/211355364.db2.gz SMUNWMADSHAIPF-UHFFFAOYSA-N 0 0 326.390 4.892 50 30 EJEARN C=C[C@@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 ZINC000090000689 217906647 /nfs/dbraw/zinc/90/66/47/217906647.db2.gz XISCYFFPXUEVNX-LBPRGKRZSA-N 0 0 348.215 4.887 50 30 EJEARN C=C(C)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012137903 211302296 /nfs/dbraw/zinc/30/22/96/211302296.db2.gz LFMUDZHFFLFMPA-UHFFFAOYSA-N 0 0 335.325 4.913 50 30 EJEARN C=CCn1c2ccccc2nc1NCc1cccc(Br)c1 ZINC000009356293 211073523 /nfs/dbraw/zinc/07/35/23/211073523.db2.gz LIDYHKBHEUOLIU-UHFFFAOYSA-N 0 0 342.240 4.597 50 30 EJEARN O=C1CCCC(=O)C1C(c1ccc(Cl)cc1)C1C(=O)CCCC1=O ZINC000095306650 218282968 /nfs/dbraw/zinc/28/29/68/218282968.db2.gz UDEBKVVWHACBDZ-UHFFFAOYSA-N 0 0 346.810 4.554 50 30 EJEARN Cc1csc(N(C(=O)/C=C/c2ccccc2C#N)c2ccccc2)n1 ZINC000009052245 211033873 /nfs/dbraw/zinc/03/38/73/211033873.db2.gz HNHRAXBLKDONED-VAWYXSNFSA-N 0 0 345.427 4.701 50 30 EJEARN C=CCn1c(C)nnc1SCc1nc2ccccc2c(C)c1Cl ZINC000008572255 210966496 /nfs/dbraw/zinc/96/64/96/210966496.db2.gz CSKSDHWYYHQUGU-UHFFFAOYSA-N 0 0 344.871 4.575 50 30 EJEARN COc1ccccc1N/N=C1\Sc2c(ccc3ccccc23)C1=O ZINC000006407749 210629900 /nfs/dbraw/zinc/62/99/00/210629900.db2.gz YJFBBJJTDXBSRX-VZCXRCSSSA-N 0 0 334.400 4.562 50 30 EJEARN C=C1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2F)S1 ZINC000005725738 210524573 /nfs/dbraw/zinc/52/45/73/210524573.db2.gz QSXSJTGCVDDNNB-UHFFFAOYSA-N 0 0 345.374 4.620 50 30 EJEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1 ZINC000005100983 210390135 /nfs/dbraw/zinc/39/01/35/210390135.db2.gz RVUCPIAZTRTXHX-QFIPXVFZSA-N 0 0 346.430 4.604 50 30 EJEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000005129505 210396424 /nfs/dbraw/zinc/39/64/24/210396424.db2.gz WWEFMVOSJCZRKJ-SOFGYWHQSA-N 0 0 327.723 4.891 50 30 EJEARN CCOc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000005069039 210383990 /nfs/dbraw/zinc/38/39/90/210383990.db2.gz WEPRZIVGMJVDIO-LFYBBSHMSA-N 0 0 331.209 4.744 50 30 EJEARN O=C1CCC2=C1[C@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000005067928 210381713 /nfs/dbraw/zinc/38/17/13/210381713.db2.gz QCCMXOOWEQFQLM-HXUWFJFHSA-N 0 0 327.383 4.720 50 30 EJEARN CC(C)(C)c1csc(N=NCc2ccc(Br)cc2)n1 ZINC000005068228 210381572 /nfs/dbraw/zinc/38/15/72/210381572.db2.gz GFDBVGJXIHHETK-LZYBPNLTSA-N 0 0 338.274 4.649 50 30 EJEARN Cc1cc(C)nc(N=NCc2c3ccccc3cc3ccccc32)n1 ZINC000004872074 210309968 /nfs/dbraw/zinc/30/99/68/210309968.db2.gz VBGYUPNVBCYBRJ-LPYMAVHISA-N 0 0 326.403 4.846 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000004913048 210320823 /nfs/dbraw/zinc/32/08/23/210320823.db2.gz ZBEZPWRZJAIHQB-GOSISDBHSA-N 0 0 345.442 4.600 50 30 EJEARN O=[N+]([O-])C(C=Nc1ccc(Cl)cc1)=CNc1ccc(Cl)cc1 ZINC000004891260 210313058 /nfs/dbraw/zinc/31/30/58/210313058.db2.gz FXZMGOUUXDYPTD-MPGSNBGNSA-N 0 0 336.178 4.926 50 30 EJEARN CN(C(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 ZINC000004868807 210308754 /nfs/dbraw/zinc/30/87/54/210308754.db2.gz CRULGHDNCSSEDZ-UHFFFAOYSA-N 0 0 344.439 4.986 50 30 EJEARN CC1=Nc2ccccc2[C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@]12C#N ZINC000004866382 210306811 /nfs/dbraw/zinc/30/68/11/210306811.db2.gz PXZZKFBAENCLFE-NPQGPEJLSA-N 0 0 344.458 4.801 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1ccccc1Br)C2=O ZINC000004826285 210288619 /nfs/dbraw/zinc/28/86/19/210288619.db2.gz ZHOQTMYSBFYMPC-GXDHUFHOSA-N 0 0 343.220 4.670 50 30 EJEARN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915425 221203414 /nfs/dbraw/zinc/20/34/14/221203414.db2.gz PUAYLIXQYVQBPE-MZFALXGWSA-N 0 0 329.484 4.697 50 30 EJEARN CSC(=CC(=O)c1sc(-c2cccs2)nc1C)SC ZINC000000121661 258047509 /nfs/dbraw/zinc/04/75/09/258047509.db2.gz SPMUFQWMFKEZFX-UHFFFAOYSA-N 0 0 327.521 4.930 50 30 EJEARN C=CCc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC ZINC000014399201 258017197 /nfs/dbraw/zinc/01/71/97/258017197.db2.gz UOLSBSPYKMXXJE-UHFFFAOYSA-N 0 0 336.218 4.983 50 30 EJEARN CCCCOc1ccc(C(=O)N2CCC[C@@]2(C#N)c2ccccc2)cc1 ZINC000002274346 258049407 /nfs/dbraw/zinc/04/94/07/258049407.db2.gz RLXLGXYUOXVBDS-JOCHJYFZSA-N 0 0 348.446 4.521 50 30 EJEARN CCCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000002366264 258049439 /nfs/dbraw/zinc/04/94/39/258049439.db2.gz VHMPVTQPFGIJNV-UHFFFAOYSA-N 0 0 348.472 4.704 50 30 EJEARN CCCCOc1ccc(C(=O)N2CCC[C@]2(C#N)c2ccccc2)cc1 ZINC000002274345 258049683 /nfs/dbraw/zinc/04/96/83/258049683.db2.gz RLXLGXYUOXVBDS-QFIPXVFZSA-N 0 0 348.446 4.521 50 30 EJEARN CC(C)(C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000002534685 258049934 /nfs/dbraw/zinc/04/99/34/258049934.db2.gz HTEMGFMUAQKQCC-UHFFFAOYSA-N 0 0 339.822 4.926 50 30 EJEARN COc1cccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)c1 ZINC000013655840 258056214 /nfs/dbraw/zinc/05/62/14/258056214.db2.gz IFCFBEZUJQBFKO-LGMDPLHJSA-N 0 0 345.354 4.853 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000256462715 258073515 /nfs/dbraw/zinc/07/35/15/258073515.db2.gz UZROOFLUFHWOJQ-PAQWLQJESA-N 0 0 332.459 4.672 50 30 EJEARN C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000000270342 518818362 /nfs/dbraw/zinc/81/83/62/518818362.db2.gz CJLCBELYETZERL-QFIPXVFZSA-N 0 0 348.490 4.788 50 30 EJEARN C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000003625831 518819021 /nfs/dbraw/zinc/81/90/21/518819021.db2.gz PRBLOGVDXDWHEE-QFIPXVFZSA-N 0 0 348.490 4.869 50 30 EJEARN C=CCc1ccc(OCCOc2cccc3ccc(C)nc32)c(OC)c1 ZINC000017440358 519138642 /nfs/dbraw/zinc/13/86/42/519138642.db2.gz DBWWVOLPLPQTLM-UHFFFAOYSA-N 0 0 349.430 4.738 50 30 EJEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccccc1F ZINC000004357077 519242561 /nfs/dbraw/zinc/24/25/61/519242561.db2.gz CKFMHJOCGDJNMZ-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(F)cc1 ZINC000004345952 519244814 /nfs/dbraw/zinc/24/48/14/519244814.db2.gz UWHPEDCHEZGZGO-UHFFFAOYSA-N 0 0 343.402 4.702 50 30 EJEARN C=CCn1c(SCc2ccccc2C)nnc1-c1ccc(F)cc1 ZINC000004145934 519245505 /nfs/dbraw/zinc/24/55/05/519245505.db2.gz XITTWAAMZJNDEV-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccccc1F ZINC000101405348 519366846 /nfs/dbraw/zinc/36/68/46/519366846.db2.gz ZLUAFXQYVHTHEV-GOSISDBHSA-N 0 0 333.362 4.558 50 30 EJEARN CCCCCCCCOc1cc(N)c([N+](=O)[O-])cc1Br ZINC000100007536 520041335 /nfs/dbraw/zinc/04/13/35/520041335.db2.gz XPZPTCBPSUTRHV-UHFFFAOYSA-N 0 0 345.237 4.679 50 30 EJEARN CCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000012419788 520108956 /nfs/dbraw/zinc/10/89/56/520108956.db2.gz CGWRQKKCAXAJMV-MNDPQUGUSA-N 0 0 349.430 4.990 50 30 EJEARN CCOC(=O)C(CC(=O)c1cccc2ccccc21)=Nc1ccccc1 ZINC000003087221 520392030 /nfs/dbraw/zinc/39/20/30/520392030.db2.gz YYJROTQAQAEKOG-HKWRFOASSA-N 0 0 345.398 4.582 50 30 EJEARN CCOc1ccc(NC(=NC#N)SCc2ccccc2Cl)cc1 ZINC000012411805 521032479 /nfs/dbraw/zinc/03/24/79/521032479.db2.gz XAKBXWROUJQGRS-UHFFFAOYSA-N 0 0 345.855 4.921 50 30 EJEARN CCOc1ccc(N=Cc2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000250634124 521045290 /nfs/dbraw/zinc/04/52/90/521045290.db2.gz OOQWGUVWAYDLPO-UHFFFAOYSA-N 0 0 333.815 4.897 50 30 EJEARN CCOC(=O)c1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000016687831 521479417 /nfs/dbraw/zinc/47/94/17/521479417.db2.gz SBSQORNIAPEKPA-OUKQBFOZSA-N 0 0 343.810 4.715 50 30 EJEARN COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCCC(C)C ZINC000020115373 521949614 /nfs/dbraw/zinc/94/96/14/521949614.db2.gz BFKUTWHIGHRJEK-PDGQHHTCSA-N 0 0 336.431 4.943 50 30 EJEARN Cc1ccc(CNC(=S)Nc2ccc(OC(F)F)cc2C)cc1 ZINC000008682697 524225931 /nfs/dbraw/zinc/22/59/31/524225931.db2.gz YQYMVBJJSSKANT-UHFFFAOYSA-N 0 0 336.407 4.803 50 30 EJEARN Cc1cccc(OCCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 ZINC000003287163 524724292 /nfs/dbraw/zinc/72/42/92/524724292.db2.gz ACDNTPZZCWZHRY-QNGOZBTKSA-N 0 0 335.447 4.645 50 30 EJEARN Cc1ccccc1C(=O)N=C(N[C@H](C)c1ccccc1)OCC(C)C ZINC000004909030 525041980 /nfs/dbraw/zinc/04/19/80/525041980.db2.gz HWSSBENRLIYOAJ-QGZVFWFLSA-N 0 0 338.451 4.515 50 30 EJEARN Cc1ccc(SC(C)(C)/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003134240 525641491 /nfs/dbraw/zinc/64/14/91/525641491.db2.gz SAXASTQQIZEDCO-CPNJWEJPSA-N 0 0 344.436 4.977 50 30 EJEARN N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000055329130 526446460 /nfs/dbraw/zinc/44/64/60/526446460.db2.gz DNROQLDGTCRVCZ-UHFFFAOYSA-N 0 0 329.787 4.667 50 30 EJEARN N#CCCn1cc(/C=C\c2nc3ccccc3o2)c(-c2ccccc2)n1 ZINC000096792114 526465830 /nfs/dbraw/zinc/46/58/30/526465830.db2.gz KWYFATOSNQTHHS-QXMHVHEDSA-N 0 0 340.386 4.775 50 30 EJEARN Cc1ncsc1C(=O)/C=C\c1cccc(OCc2ccccc2)c1 ZINC000096291479 527475302 /nfs/dbraw/zinc/47/53/02/527475302.db2.gz PWXRBHWUVHDYPW-KHPPLWFESA-N 0 0 335.428 4.927 50 30 EJEARN O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000004114050 527616580 /nfs/dbraw/zinc/61/65/80/527616580.db2.gz UZKYPIWPGGIALQ-OVCLIPMQSA-N 0 0 346.357 4.941 50 30 EJEARN O=C(C=CNc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000044843460 564027424 /nfs/dbraw/zinc/02/74/24/564027424.db2.gz ZLJWYTPMBUUDKE-BQYQJAHWSA-N 0 0 338.151 4.536 50 30 EJEARN Clc1cc(Br)ccc1/N=C/c1ccc2c(c1)OCO2 ZINC000000072088 563215828 /nfs/dbraw/zinc/21/58/28/563215828.db2.gz DHUNFLSZKGRMBO-REZTVBANSA-N 0 0 338.588 4.582 50 30 EJEARN O=C1SC(c2ccccc2)=N/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000000104615 563227198 /nfs/dbraw/zinc/22/71/98/563227198.db2.gz IRRYOZJUAHTDQA-GXDHUFHOSA-N 0 0 333.334 4.767 50 30 EJEARN CC[C@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000000159057 563248523 /nfs/dbraw/zinc/24/85/23/563248523.db2.gz CYMDKYSYNIBVIS-HNNXBMFYSA-N 0 0 335.451 4.743 50 30 EJEARN Oc1ccc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000000235716 563263769 /nfs/dbraw/zinc/26/37/69/563263769.db2.gz GSDHGVOQOPPMQU-WSDLNYQXSA-N 0 0 332.790 4.898 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(Br)cc2F)cc1 ZINC000000315271 563282369 /nfs/dbraw/zinc/28/23/69/563282369.db2.gz DOXKATOIQKNPDJ-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN COc1cc(Cl)ccc1/N=C/c1cc(Br)ccc1O ZINC000000353849 563290463 /nfs/dbraw/zinc/29/04/63/563290463.db2.gz HUGKOCWBTRKMQG-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN CN(C)c1ccc(/C=C2\CCC(=C3SCCCS3)C2=O)cc1 ZINC000000383953 563300945 /nfs/dbraw/zinc/30/09/45/563300945.db2.gz SAHMZVXKPYDPGX-WYMLVPIESA-N 0 0 331.506 4.581 50 30 EJEARN O=C1C=C(Nc2ccc(Br)cc2)C[C@@H](c2ccccc2)C1 ZINC000000434849 563312653 /nfs/dbraw/zinc/31/26/53/563312653.db2.gz IGUVOJSWETYWPH-CQSZACIVSA-N 0 0 342.236 4.892 50 30 EJEARN CCOc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000000436487 563313266 /nfs/dbraw/zinc/31/32/66/563313266.db2.gz YQEJKNJMNRXISJ-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(Br)c(Cl)c2)o1 ZINC000000468644 563330079 /nfs/dbraw/zinc/33/00/79/563330079.db2.gz QEBSKLNSCWJQGW-VOTSOKGWSA-N 0 0 340.604 4.812 50 30 EJEARN CCc1c(C)sc(NC(=O)c2cccc(Br)c2)c1C#N ZINC000000483827 563337809 /nfs/dbraw/zinc/33/78/09/563337809.db2.gz ULSNOOVJMGGRHY-UHFFFAOYSA-N 0 0 349.253 4.505 50 30 EJEARN Cc1cccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)c1 ZINC000000731245 563362762 /nfs/dbraw/zinc/36/27/62/563362762.db2.gz KFTXGQFBVBCXCH-GIJQJNRQSA-N 0 0 338.263 4.622 50 30 EJEARN CC(C)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000001740220 563409009 /nfs/dbraw/zinc/40/90/09/563409009.db2.gz RAVKBAUXCHBRHE-PXLXIMEGSA-N 0 0 341.886 4.620 50 30 EJEARN CCOc1ccc2ccccc2c1/C=C1\N=C(SCC)SC1=O ZINC000002073586 563421285 /nfs/dbraw/zinc/42/12/85/563421285.db2.gz UEDXOYSHTUGJHG-PTNGSMBKSA-N 0 0 343.473 4.962 50 30 EJEARN O=C1c2ccccc2C(Nc2ccc3c(c2)OCO3)=C1c1ccccc1 ZINC000002543395 563440250 /nfs/dbraw/zinc/44/02/50/563440250.db2.gz NHAYMIDBMWXLHV-UHFFFAOYSA-N 0 0 341.366 4.592 50 30 EJEARN CC(C)CC1CC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)C1 ZINC000002550082 563440503 /nfs/dbraw/zinc/44/05/03/563440503.db2.gz VGTSPCAQHCUUBR-UHFFFAOYSA-N 0 0 340.250 4.884 50 30 EJEARN CSC1=C(SC)SC(=C2C(=O)c3ccccc3C2=O)S1 ZINC000003214589 563476766 /nfs/dbraw/zinc/47/67/66/563476766.db2.gz YUSSLPUXPSXFIR-UHFFFAOYSA-N 0 0 338.500 4.610 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(F)c1 ZINC000004833327 563512242 /nfs/dbraw/zinc/51/22/42/563512242.db2.gz XEUQSUWTXIDUJI-PKNBQFBNSA-N 0 0 334.188 4.787 50 30 EJEARN CC1=C(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)Sc2ccccc2N1 ZINC000005567512 563539992 /nfs/dbraw/zinc/53/99/92/563539992.db2.gz QAXWBDDNHZQBKO-DHZHZOJOSA-N 0 0 338.388 4.626 50 30 EJEARN N#Cc1c(Br)c(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1 ZINC000006093348 563558891 /nfs/dbraw/zinc/55/88/91/563558891.db2.gz XNFIRYXKTXAHAC-UHFFFAOYSA-N 0 0 349.537 4.988 50 30 EJEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1F ZINC000006492574 563569930 /nfs/dbraw/zinc/56/99/30/563569930.db2.gz JGGWGBKGUJPSHM-ZHACJKMWSA-N 0 0 334.188 4.787 50 30 EJEARN CCCCCCCOc1ccc(-c2ccc(/C(N)=N\O)cc2)cc1 ZINC000008398440 563629390 /nfs/dbraw/zinc/62/93/90/563629390.db2.gz GDNJWEIXSAIXCJ-UHFFFAOYSA-N 0 0 326.440 4.797 50 30 EJEARN Cc1noc2c1[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000008548736 563631944 /nfs/dbraw/zinc/63/19/44/563631944.db2.gz MJWMFWVUKXTLOR-MRXNPFEDSA-N 0 0 342.826 4.837 50 30 EJEARN Fc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013519340 563700268 /nfs/dbraw/zinc/70/02/68/563700268.db2.gz ZDTKCTUGJHVDLJ-UHFFFAOYSA-N 0 0 326.799 4.559 50 30 EJEARN Cc1cc(C)nc(N=NCc2c3ccccc3cc3ccccc32)n1 ZINC000015163365 563779204 /nfs/dbraw/zinc/77/92/04/563779204.db2.gz VBGYUPNVBCYBRJ-XKZIYDEJSA-N 0 0 326.403 4.846 50 30 EJEARN CC(=O)n1cc(/C=C2\Sc3ccccc3C2=O)c(-c2ccccc2)n1 ZINC000015188606 563779604 /nfs/dbraw/zinc/77/96/04/563779604.db2.gz ZXZWFRLTCULTNT-WQRHYEAKSA-N 0 0 346.411 4.540 50 30 EJEARN CCCC(=NOCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000018157257 563850094 /nfs/dbraw/zinc/85/00/94/563850094.db2.gz CSPPKDPQLUUTND-SIXPRSDSSA-N 0 0 327.490 4.502 50 30 in-vitro EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1O ZINC000018244270 563851674 /nfs/dbraw/zinc/85/16/74/563851674.db2.gz FWSZIEMHBVKSDD-FQEVSTJZSA-N 0 0 334.419 4.614 50 30 EJEARN Cc1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1 ZINC000026963558 563894144 /nfs/dbraw/zinc/89/41/44/563894144.db2.gz ZQPSABHFJCHEGB-QGOAFFKASA-N 0 0 340.382 4.955 50 30 EJEARN C=CCCC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000072291534 563909164 /nfs/dbraw/zinc/90/91/64/563909164.db2.gz TWCJRUSIYFNZLH-UHFFFAOYSA-N 0 0 342.826 4.521 50 30 EJEARN CCOc1cccc(/C=N/c2ccc(Br)cc2C)c1O ZINC000044836044 563926718 /nfs/dbraw/zinc/92/67/18/563926718.db2.gz CDZGDMSKPFGEFQ-VCHYOVAHSA-N 0 0 334.213 4.612 50 30 EJEARN CCCCCCCCC(=O)NCCCOc1ccc(Cl)cc1 ZINC000060059851 563949562 /nfs/dbraw/zinc/94/95/62/563949562.db2.gz HPYIOQPMCUKMSD-UHFFFAOYSA-N 0 0 325.880 4.976 50 30 EJEARN CCc1c(C)sc(NC(=O)/C=C\c2c(F)cccc2Cl)c1C#N ZINC000033309506 563973503 /nfs/dbraw/zinc/97/35/03/563973503.db2.gz AZKOAEZXXLHXNW-FPLPWBNLSA-N 0 0 348.830 4.935 50 30 EJEARN CCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000033350390 563974807 /nfs/dbraw/zinc/97/48/07/563974807.db2.gz VRNYFWPSRRSINH-SILNSSARSA-N 0 0 349.430 4.990 50 30 EJEARN CCCCCCCc1ccc(NC(=O)NCc2ccccn2)cc1 ZINC000095749400 563977689 /nfs/dbraw/zinc/97/76/89/563977689.db2.gz OHQUSXBXJYMJDK-UHFFFAOYSA-N 0 0 325.456 4.916 50 30 EJEARN O=C(/C(=C/c1csnn1)c1nc2ccccc2s1)c1ccccc1 ZINC000044013624 563980158 /nfs/dbraw/zinc/98/01/58/563980158.db2.gz SNRVQWUGWKYZTO-UVTDQMKNSA-N 0 0 349.440 4.571 50 30 EJEARN CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000100235260 563982431 /nfs/dbraw/zinc/98/24/31/563982431.db2.gz YNTFRULGEWHTKY-UHFFFAOYSA-N 0 0 339.476 4.685 50 30 EJEARN O=C1c2ccccc2C(=O)C1=Cc1cccc(OCc2ccccc2)c1 ZINC000000116679 563986767 /nfs/dbraw/zinc/98/67/67/563986767.db2.gz CKHXEZPSWJPQHG-UHFFFAOYSA-N 0 0 340.378 4.728 50 30 EJEARN Cc1ccc2c(ccc3c2[C@H](c2cccnc2)C2=C(CCCC2=O)N3)n1 ZINC000000140390 563987102 /nfs/dbraw/zinc/98/71/02/563987102.db2.gz OSVIRSVXLXUPGO-FQEVSTJZSA-N 0 0 341.414 4.503 50 30 EJEARN C=CCc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000151318 563987403 /nfs/dbraw/zinc/98/74/03/563987403.db2.gz JXDNTYQEFJDESA-UHFFFAOYSA-N 0 0 336.218 4.739 50 30 EJEARN Cc1cccc(/N=C2/c3ccccc3N(Cc3ccc(F)cc3)C2=O)c1 ZINC000000191779 563988188 /nfs/dbraw/zinc/98/81/88/563988188.db2.gz BKNAPWMRRHYYKO-FLFQWRMESA-N 0 0 344.389 4.802 50 30 EJEARN O=C(c1ccc(Cl)cc1)C1=C(N2CCCC2)CCc2ccccc21 ZINC000000340664 563991367 /nfs/dbraw/zinc/99/13/67/563991367.db2.gz UGKSJDNLHVOGDT-UHFFFAOYSA-N 0 0 337.850 4.976 50 30 EJEARN N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1Cl ZINC000004995604 563993759 /nfs/dbraw/zinc/99/37/59/563993759.db2.gz PNLPQSPHBLKETB-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000135288231 563997055 /nfs/dbraw/zinc/99/70/55/563997055.db2.gz CGHGFJUXKTXRFT-HNAYVOBHSA-N 0 0 340.492 4.511 50 30 EJEARN CCOCc1c(C)cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c1C ZINC000252629214 563998025 /nfs/dbraw/zinc/99/80/25/563998025.db2.gz UBFDQMPBYKIRRK-UHFFFAOYSA-N 0 0 341.411 4.503 50 30 EJEARN O=C1C=C(Nc2ccc(NC(=S)Nc3ccccc3)cc2)CCC1 ZINC000005224539 564001278 /nfs/dbraw/zinc/00/12/78/564001278.db2.gz LDLCWLMAKMZBQZ-UHFFFAOYSA-N 0 0 337.448 4.544 50 30 EJEARN C=C(C)CSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 ZINC000005246011 564001525 /nfs/dbraw/zinc/00/15/25/564001525.db2.gz XENMTPMZVSWGQM-UHFFFAOYSA-N 0 0 340.492 4.972 50 30 EJEARN N#CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000005252467 564001569 /nfs/dbraw/zinc/00/15/69/564001569.db2.gz YXSVUBKKWAFLFU-APSNUPSMSA-N 0 0 346.169 4.512 50 30 EJEARN CC(C)(C)c1nc(C#N)c(NCc2ccc(-c3ccccc3F)o2)o1 ZINC000061997278 564002616 /nfs/dbraw/zinc/00/26/16/564002616.db2.gz QMXNHIQKGHJFFF-UHFFFAOYSA-N 0 0 339.370 4.855 50 30 EJEARN COc1cc(C2SCCS2)ccc1OCc1ccc(C#N)cc1 ZINC000005475161 564004460 /nfs/dbraw/zinc/00/44/60/564004460.db2.gz DRKAOIFTVWBVTK-UHFFFAOYSA-N 0 0 343.473 4.624 50 30 EJEARN COc1ccc2c(c1)C(=O)/C(=C\c1cccc(Br)c1)CC2 ZINC000005908883 564006141 /nfs/dbraw/zinc/00/61/41/564006141.db2.gz JXIBKZSQXWEKBR-ZROIWOOFSA-N 0 0 343.220 4.670 50 30 EJEARN COc1ccccc1NC(=O)CSc1ccccc1NC(C)=O ZINC000000471023 564012703 /nfs/dbraw/zinc/01/27/03/564012703.db2.gz UFVWKXMUGOZNDQ-UHFFFAOYSA-N 0 0 330.409 4.683 50 30 EJEARN CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCCC2 ZINC000000502305 564019094 /nfs/dbraw/zinc/01/90/94/564019094.db2.gz XOBLCBJTIRVUGO-RGVLZGJSSA-N 0 0 343.448 4.568 50 30 EJEARN O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccccc3)nc3ccccn32)c1 ZINC000000503511 564019192 /nfs/dbraw/zinc/01/91/92/564019192.db2.gz PUSKVIYLVURLMK-KGENOOAVSA-N 0 0 342.358 4.660 50 30 EJEARN CC(C)(C)C(=O)Cc1nc2ccccc2nc1CC(=O)C(C)(C)C ZINC000102882478 564020913 /nfs/dbraw/zinc/02/09/13/564020913.db2.gz HUMLFMNDECZUCY-JOBJLJCHSA-N 0 0 326.440 4.522 50 30 EJEARN CCCCCCCCNC(CC)=C1N=C(c2ccccc2)OC1=O ZINC000110221244 564020940 /nfs/dbraw/zinc/02/09/40/564020940.db2.gz PPZCPVVCNFADBU-ISLYRVAYSA-N 0 0 328.456 4.562 50 30 EJEARN O=C1ON(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000540608 564022483 /nfs/dbraw/zinc/02/24/83/564022483.db2.gz RAOINHTZOICECU-LJQANCHMSA-N 0 0 334.350 4.903 50 30 EJEARN O=C(C=CNc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000044842635 564027378 /nfs/dbraw/zinc/02/73/78/564027378.db2.gz SRWZGFDNTCNDPI-AATRIKPKSA-N 0 0 336.174 4.531 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2cc(OC)ccc2C)cc1 ZINC000044843003 564027413 /nfs/dbraw/zinc/02/74/13/564027413.db2.gz ACGNKRUIBRTWDH-OUKQBFOZSA-N 0 0 339.435 4.991 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccccc2Br)cc1C ZINC000044844097 564027447 /nfs/dbraw/zinc/02/74/47/564027447.db2.gz TVUDNVWFHQQJPY-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN COc1cc(OC)c(NC=CC(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000044844244 564027478 /nfs/dbraw/zinc/02/74/78/564027478.db2.gz QRCSZTPYWGVJMX-BQYQJAHWSA-N 0 0 345.826 4.783 50 30 EJEARN Cc1cc(C)cc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044928621 564027779 /nfs/dbraw/zinc/02/77/79/564027779.db2.gz FDUAIUPAAYPPIT-FPLPWBNLSA-N 0 0 330.225 4.874 50 30 EJEARN CCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000108506735 564028331 /nfs/dbraw/zinc/02/83/31/564028331.db2.gz CVGOXJHDVZVJEC-VKAVYKQESA-N 0 0 348.874 4.825 50 30 EJEARN C=CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002701363 564033001 /nfs/dbraw/zinc/03/30/01/564033001.db2.gz BIAUVZMDWRQRRK-UHFFFAOYSA-N 0 0 327.840 4.866 50 30 EJEARN COc1ccc(-c2cc(CSCc3ccc(C#N)cc3)on2)cc1 ZINC000024842747 564034064 /nfs/dbraw/zinc/03/40/64/564034064.db2.gz AARNJWVHNPOURV-UHFFFAOYSA-N 0 0 336.416 4.655 50 30 EJEARN N#Cc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1C#N ZINC000005777138 564036705 /nfs/dbraw/zinc/03/67/05/564036705.db2.gz IJFBKZGEYHINMJ-UHFFFAOYSA-N 0 0 330.350 4.833 50 30 EJEARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 ZINC000606422453 564043403 /nfs/dbraw/zinc/04/34/03/564043403.db2.gz KWNHDVDTRAUJSK-DEDYPNTBSA-N 0 0 337.448 4.850 50 30 EJEARN CC(=NOCc1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000252467585 564053347 /nfs/dbraw/zinc/05/33/47/564053347.db2.gz TVYTVJIPTSSBQQ-UHFFFAOYSA-N 0 0 333.313 4.511 50 30 EJEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000254846258 564053707 /nfs/dbraw/zinc/05/37/07/564053707.db2.gz UWBICEKKOYXZRG-CJBPLUAASA-N 0 0 342.479 4.594 50 30 EJEARN Cc1ccccc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 ZINC000001079483 564054315 /nfs/dbraw/zinc/05/43/15/564054315.db2.gz HVJWGOLDFHWXCY-SFHVURJKSA-N 0 0 349.405 4.662 50 30 EJEARN CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257359374 564056000 /nfs/dbraw/zinc/05/60/00/564056000.db2.gz ZWROBJVXVCFTAR-KYDMIEGSSA-N 0 0 333.516 4.856 50 30 EJEARN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082077138 564056117 /nfs/dbraw/zinc/05/61/17/564056117.db2.gz RUHXGWLESZDFTQ-CZUORRHYSA-N 0 0 342.405 4.672 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O ZINC000005824681 564056540 /nfs/dbraw/zinc/05/65/40/564056540.db2.gz SYHNAGSCZCTRCU-RQIKSRJSSA-N 0 0 348.398 4.823 50 30 biogenic EJEARN N#Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 ZINC000005938385 564057126 /nfs/dbraw/zinc/05/71/26/564057126.db2.gz IXLWSYHTIUELOV-UHFFFAOYSA-N 0 0 345.383 4.680 50 30 EJEARN CC(C)c1ccc(CSc2nnc(S[C@@H](C)C#N)s2)cc1 ZINC000006000052 564057520 /nfs/dbraw/zinc/05/75/20/564057520.db2.gz UGEVSZAODOMNAJ-NSHDSACASA-N 0 0 335.523 4.958 50 30 EJEARN CSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000001383047 564063936 /nfs/dbraw/zinc/06/39/36/564063936.db2.gz YTENHBSMLXPATB-UHFFFAOYSA-N 0 0 337.231 4.839 50 30 EJEARN N#C[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000001386066 564064211 /nfs/dbraw/zinc/06/42/11/564064211.db2.gz LMTHTRSFBFLKNZ-LBPRGKRZSA-N 0 0 347.727 4.957 50 30 EJEARN Cc1ccc(CO/N=C2/c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000001403307 564065060 /nfs/dbraw/zinc/06/50/60/564065060.db2.gz KVZVUYOMPKXAMC-LNVKXUELSA-N 0 0 342.398 4.594 50 30 EJEARN CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCC2 ZINC000004888987 564067113 /nfs/dbraw/zinc/06/71/13/564067113.db2.gz MBVQTWADRHVFFH-DJKKODMXSA-N 0 0 349.839 4.523 50 30 EJEARN N#CCN(Cc1csc(-c2cccs2)n1)C1CCCCCC1 ZINC000084445000 564068173 /nfs/dbraw/zinc/06/81/73/564068173.db2.gz ABGISJHQOGPPRX-UHFFFAOYSA-N 0 0 331.510 4.920 50 30 EJEARN C=CCN1C(=S)N=NC1c1cc(-c2ccccc2)nc2ccccc21 ZINC000005899389 564070637 /nfs/dbraw/zinc/07/06/37/564070637.db2.gz GAAMMPVKKCDGCD-UHFFFAOYSA-N 0 0 344.443 4.635 50 30 EJEARN COc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)c(OC)c1 ZINC000035146780 564073887 /nfs/dbraw/zinc/07/38/87/564073887.db2.gz OTELYLKBYAVJEK-YFHOEESVSA-N 0 0 336.309 4.619 50 30 EJEARN C=CCn1c(SCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000000444759 564074554 /nfs/dbraw/zinc/07/45/54/564074554.db2.gz VGQIWUSCQTYHDI-UHFFFAOYSA-N 0 0 342.489 4.553 50 30 EJEARN O=C1c2ccccc2OC/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000006085127 564074609 /nfs/dbraw/zinc/07/46/09/564074609.db2.gz SCSGHZPCAMVTCV-XMHGGMMESA-N 0 0 342.394 4.924 50 30 EJEARN C=CCn1c2ccccc2nc1N[C@@H](C)c1cc(Cl)ccc1O ZINC000000617401 564074641 /nfs/dbraw/zinc/07/46/41/564074641.db2.gz AJUQPKSBJYBNTO-LBPRGKRZSA-N 0 0 327.815 4.754 50 30 EJEARN C=CCSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000002066432 564074790 /nfs/dbraw/zinc/07/47/90/564074790.db2.gz NCBBWBGBFVDBJB-JTQLQIEISA-N 0 0 333.526 4.703 50 30 EJEARN CCO[C@@H](C)c1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 ZINC000086203167 564075305 /nfs/dbraw/zinc/07/53/05/564075305.db2.gz MXMNFKUBDLACFO-ZDUSSCGKSA-N 0 0 345.468 4.512 50 30 EJEARN COc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1OC ZINC000003091580 564076115 /nfs/dbraw/zinc/07/61/15/564076115.db2.gz NNZGLDKJJVNNEW-XQNSMLJCSA-N 0 0 331.415 4.912 50 30 EJEARN CCn1c(C)cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1C ZINC000027861641 564079149 /nfs/dbraw/zinc/07/91/49/564079149.db2.gz ZIKBACDJBSFCEM-UHFFFAOYSA-N 0 0 348.471 4.838 50 30 EJEARN Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000063962112 564083342 /nfs/dbraw/zinc/08/33/42/564083342.db2.gz KMBBEDQWZVRUGH-UHFFFAOYSA-N 0 0 337.382 4.820 50 30 EJEARN C=C[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000039423333 564087104 /nfs/dbraw/zinc/08/71/04/564087104.db2.gz BXJGLPROAVAGKO-JOCHJYFZSA-N 0 0 330.427 4.542 50 30 EJEARN C=CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000001836246 564088761 /nfs/dbraw/zinc/08/87/61/564088761.db2.gz FXQNXBOTKADZEJ-UHFFFAOYSA-N 0 0 338.480 4.840 50 30 EJEARN CCOc1ccc2ncc(C#N)c(NCc3ccc(Cl)cc3)c2c1 ZINC000064438773 564091300 /nfs/dbraw/zinc/09/13/00/564091300.db2.gz QFCJKISTWZUZBZ-UHFFFAOYSA-N 0 0 337.810 4.771 50 30 EJEARN COc1cc2c(cc1NC(=O)c1ccc(C#N)cc1)oc1ccccc12 ZINC000006581251 564092258 /nfs/dbraw/zinc/09/22/58/564092258.db2.gz FDLQKKKLNWSSDX-UHFFFAOYSA-N 0 0 342.354 4.719 50 30 EJEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ccc3ncccc31)N2 ZINC000004758804 564093144 /nfs/dbraw/zinc/09/31/44/564093144.db2.gz HSVZGZCFJZRECJ-FQEVSTJZSA-N 0 0 326.399 4.799 50 30 EJEARN Cc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCC(C)CC2)c1 ZINC000006768554 564097446 /nfs/dbraw/zinc/09/74/46/564097446.db2.gz SSFOUGZIFWKJJD-UHFFFAOYSA-N 0 0 333.439 4.500 50 30 EJEARN Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(Cl)c3)coc2c1C ZINC000006851833 564099627 /nfs/dbraw/zinc/09/96/27/564099627.db2.gz MZXFOKBBZYMLFM-UHFFFAOYSA-N 0 0 338.794 4.756 50 30 EJEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCCCC1 ZINC000006881585 564100603 /nfs/dbraw/zinc/10/06/03/564100603.db2.gz WJGBDGBJYAZOOX-UHFFFAOYSA-N 0 0 336.460 4.772 50 30 EJEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000007017122 564103180 /nfs/dbraw/zinc/10/31/80/564103180.db2.gz VWQAUXGYSPCPSA-ZUZCIYMTSA-N 0 0 345.295 4.528 50 30 EJEARN C=CCNC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007560943 564110488 /nfs/dbraw/zinc/11/04/88/564110488.db2.gz FBHCKYWTGFRXPE-UHFFFAOYSA-N 0 0 326.509 4.627 50 30 EJEARN Clc1cccc(Cl)c1CN=Nc1nc2c(s1)CCCC2 ZINC000016755044 564113058 /nfs/dbraw/zinc/11/30/58/564113058.db2.gz ZPGLNZNISPMFJJ-IUXPMGMMSA-N 0 0 326.252 4.775 50 30 EJEARN N#Cc1cnc2c(F)cccc2c1Nc1ccc(Br)cc1 ZINC000016841284 564113806 /nfs/dbraw/zinc/11/38/06/564113806.db2.gz JBUCTCZILZZTRJ-UHFFFAOYSA-N 0 0 342.171 4.752 50 30 EJEARN C[C@@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000090117555 564116267 /nfs/dbraw/zinc/11/62/67/564116267.db2.gz LHLHCIWUUWNFJS-CYBMUJFWSA-N 0 0 337.423 4.672 50 30 EJEARN N#Cc1cnc2ccccc2c1N1CCC(Cc2ccccc2)CC1 ZINC000017178714 564116607 /nfs/dbraw/zinc/11/66/07/564116607.db2.gz NIIAYUHQUBZCTB-UHFFFAOYSA-N 0 0 327.431 4.566 50 30 EJEARN Cc1c(C)c2ccccn2c1C=NN=Cc1c(C)c(C)c2ccccn12 ZINC000252588404 564120859 /nfs/dbraw/zinc/12/08/59/564120859.db2.gz ABZWJJSOPRGCNI-UHFFFAOYSA-N 0 0 342.446 4.879 50 30 EJEARN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000252616711 564122080 /nfs/dbraw/zinc/12/20/80/564122080.db2.gz KEBPOUMCRXRPCR-UHFFFAOYSA-N 0 0 329.303 4.511 50 30 EJEARN N#Cc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000007734781 564122397 /nfs/dbraw/zinc/12/23/97/564122397.db2.gz SVOMFOSCNDPVOC-HXUWFJFHSA-N 0 0 346.817 4.731 50 30 EJEARN O=[N+]([O-])c1ccc(N=C(C#Cc2ccccc2)c2ccccc2)cc1 ZINC000252621604 564122838 /nfs/dbraw/zinc/12/28/38/564122838.db2.gz NCQLOYZDYOQBAX-UHFFFAOYSA-N 0 0 326.355 4.767 50 30 EJEARN CCOc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000252622694 564122920 /nfs/dbraw/zinc/12/29/20/564122920.db2.gz OASMXUOMVXWRQO-UHFFFAOYSA-N 0 0 340.448 4.656 50 30 EJEARN C=CCn1c2ccccc2nc1N=Cc1ccc(Br)cc1 ZINC000252630718 564123553 /nfs/dbraw/zinc/12/35/53/564123553.db2.gz VDZVGYUBXHDMHQ-UHFFFAOYSA-N 0 0 340.224 4.735 50 30 EJEARN Oc1ccccc1C=Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000252632255 564124090 /nfs/dbraw/zinc/12/40/90/564124090.db2.gz VRUVHVOHRYXTPP-UHFFFAOYSA-N 0 0 340.386 4.595 50 30 EJEARN O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2cccc(Cl)c2)c1 ZINC000252632781 564124123 /nfs/dbraw/zinc/12/41/23/564124123.db2.gz VWRWBGLFKHIKNU-UHFFFAOYSA-N 0 0 326.739 4.858 50 30 EJEARN C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(C)cc1 ZINC000252669714 564124788 /nfs/dbraw/zinc/12/47/88/564124788.db2.gz ILOUPJVQWYHMHV-UHFFFAOYSA-N 0 0 336.460 4.952 50 30 EJEARN CCO[P@@](=O)(C#CC(C)(C)C)[C@](O)(c1ccccc1)C(F)(F)F ZINC000002317753 564132177 /nfs/dbraw/zinc/13/21/77/564132177.db2.gz LOOMGBANYDMLRT-CMJOXMDJSA-N 0 0 348.301 4.716 50 30 EJEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C(NNc1ccccc1)C(F)(F)F ZINC000253487083 564132687 /nfs/dbraw/zinc/13/26/87/564132687.db2.gz DMGQWPFEZYBJLJ-UFLJFAPMSA-N 0 0 338.373 4.658 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCCC1 ZINC000000045602 564132726 /nfs/dbraw/zinc/13/27/26/564132726.db2.gz BAWLDBGZQJBBDC-UHFFFAOYSA-N 0 0 332.451 4.610 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2C#N ZINC000253499382 564132779 /nfs/dbraw/zinc/13/27/79/564132779.db2.gz FUZCPLHZMKOTCW-ONCDUWEWSA-N 0 0 341.495 4.832 50 30 biogenic EJEARN CSc1nc(SC)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000000095063 564132823 /nfs/dbraw/zinc/13/28/23/564132823.db2.gz MMFGRAWXNAMOJH-UHFFFAOYSA-N 0 0 329.494 4.757 50 30 EJEARN CSc1nc(CSc2ccc(Cl)cc2)nc(C2CC2)c1C#N ZINC000000126914 564132868 /nfs/dbraw/zinc/13/28/68/564132868.db2.gz HCOKQJQLNSMSEZ-UHFFFAOYSA-N 0 0 347.896 4.893 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000000136990 564132873 /nfs/dbraw/zinc/13/28/73/564132873.db2.gz PPRIFMRXDQBHEM-LLVKDONJSA-N 0 0 336.416 4.743 50 30 EJEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccccc1Cl ZINC000000468083 564133276 /nfs/dbraw/zinc/13/32/76/564133276.db2.gz DYDSXHSGBNUNFI-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000000570346 564133427 /nfs/dbraw/zinc/13/34/27/564133427.db2.gz VFWWGXPUKBEQSQ-LLVKDONJSA-N 0 0 344.867 4.579 50 30 EJEARN O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccccc1 ZINC000012960217 564135732 /nfs/dbraw/zinc/13/57/32/564135732.db2.gz SYRGTPSMZLIWPI-GRSHGNNSSA-N 0 0 337.206 4.525 50 30 EJEARN Cc1sc(NC(=O)c2ccncc2)c(C#N)c1-c1ccc(C)cc1 ZINC000013327725 564136207 /nfs/dbraw/zinc/13/62/07/564136207.db2.gz BWLNNGKGIRMQRF-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN Cc1sc(NC(=O)c2cccnc2)c(C#N)c1-c1ccc(C)cc1 ZINC000013327723 564136211 /nfs/dbraw/zinc/13/62/11/564136211.db2.gz RNSDBVVXBAKDCA-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN CCc1ccc(-c2c(C)sc(NC(=O)c3ccncc3)c2C#N)cc1 ZINC000013328547 564136251 /nfs/dbraw/zinc/13/62/51/564136251.db2.gz CVKJHUMVVALBQL-UHFFFAOYSA-N 0 0 347.443 4.805 50 30 EJEARN C[C@H](NC(=O)Cc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587233 564136533 /nfs/dbraw/zinc/13/65/33/564136533.db2.gz KUOGYETWFKYMJK-INIZCTEOSA-N 0 0 341.414 4.880 50 30 EJEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)C(C)C ZINC000328591540 564136734 /nfs/dbraw/zinc/13/67/34/564136734.db2.gz YZZMVEPKZCCJKW-MGPUTAFESA-N 0 0 326.440 4.742 50 30 EJEARN N#Cc1sc(NC(=O)Cc2c(Cl)cccc2Cl)nc1Cl ZINC000328595250 564136846 /nfs/dbraw/zinc/13/68/46/564136846.db2.gz PADXLBPUMDBDCQ-UHFFFAOYSA-N 0 0 346.626 4.806 50 30 EJEARN CC(C)(C)OC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1 ZINC000095428641 564140294 /nfs/dbraw/zinc/14/02/94/564140294.db2.gz HXWSZFLDQOSCOK-UHFFFAOYSA-N 0 0 329.425 4.579 50 30 EJEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000096035562 564145120 /nfs/dbraw/zinc/14/51/20/564145120.db2.gz ACXLTDVWQTYHNU-WDZFZDKYSA-N 0 0 342.320 4.787 50 30 EJEARN COc1ccc2cc(C(=O)/C=C\c3cccc(OCC#N)c3)ccc2c1 ZINC000096316194 564146744 /nfs/dbraw/zinc/14/67/44/564146744.db2.gz LFDMXBUPCVYELN-YHYXMXQVSA-N 0 0 343.382 4.647 50 30 EJEARN O=C(/C(=C\c1csnn1)c1nc2ccccc2s1)c1ccccc1 ZINC000096400701 564147038 /nfs/dbraw/zinc/14/70/38/564147038.db2.gz SNRVQWUGWKYZTO-GXDHUFHOSA-N 0 0 349.440 4.571 50 30 EJEARN C#CCN(N=C1CCCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000299817168 564150855 /nfs/dbraw/zinc/15/08/55/564150855.db2.gz JDLMHEOHMFFSDW-UHFFFAOYSA-N 0 0 329.856 4.833 50 30 in-vitro EJEARN Cc1sc(NC(=O)Oc2ccccc2)nc1-c1ccc(F)cc1 ZINC000028250386 564150881 /nfs/dbraw/zinc/15/08/81/564150881.db2.gz LJVGCWXWOZVOCQ-UHFFFAOYSA-N 0 0 328.368 4.882 50 30 EJEARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000002644105 564151757 /nfs/dbraw/zinc/15/17/57/564151757.db2.gz OQIRJPQHNXYBAE-UHFFFAOYSA-N 0 0 342.826 4.661 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000002713907 564152164 /nfs/dbraw/zinc/15/21/64/564152164.db2.gz RWBKYQJFJTXVRR-UHFFFAOYSA-N 0 0 348.214 4.727 50 30 EJEARN N#Cc1ccc(COc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000002726613 564152307 /nfs/dbraw/zinc/15/23/07/564152307.db2.gz KPKRJBBCNWSXAV-UHFFFAOYSA-N 0 0 343.411 4.809 50 30 EJEARN Cc1ccc(N=C2SCCCN2C(=O)c2ccco2)cc1Cl ZINC000254753154 564153710 /nfs/dbraw/zinc/15/37/10/564153710.db2.gz TVJYOPHOOJTYEJ-UHFFFAOYSA-N 0 0 334.828 4.508 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cn2)c1 ZINC000003175121 564155666 /nfs/dbraw/zinc/15/56/66/564155666.db2.gz CWWUBTOPWWJRJX-UHFFFAOYSA-N 0 0 329.831 4.825 50 30 EJEARN CSc1ncccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003297707 564157171 /nfs/dbraw/zinc/15/71/71/564157171.db2.gz DMVSAJOACSJCCG-UHFFFAOYSA-N 0 0 346.411 4.561 50 30 EJEARN CCc1ccc([C@H](NC(=O)c2cccc(C#N)c2)c2cccs2)cc1 ZINC000008062304 564162465 /nfs/dbraw/zinc/16/24/65/564162465.db2.gz RJXGDSRWCGOKRH-FQEVSTJZSA-N 0 0 346.455 4.702 50 30 EJEARN Cc1nonc1[N-][NH+]=C1C=CC(=O)C(C=Nc2ccc(C)c(C)c2)=C1 ZINC000245296060 564168993 /nfs/dbraw/zinc/16/89/93/564168993.db2.gz KBIVVGBOAXBGCP-UHFFFAOYSA-N 0 0 335.367 4.866 50 30 EJEARN CSC(SC)=C1CCC/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000051329702 214089171 /nfs/dbraw/zinc/08/91/71/214089171.db2.gz ZKWFOGPPUFJAKN-WYMLVPIESA-N 0 0 333.522 4.827 50 30 EJEARN Cc1ccnc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000004671203 210243395 /nfs/dbraw/zinc/24/33/95/210243395.db2.gz ICOGCMZILUBVSU-WSDLNYQXSA-N 0 0 340.471 4.532 50 30 EJEARN O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000098008831 219067885 /nfs/dbraw/zinc/06/78/85/219067885.db2.gz CEAXBBCOXVTZIX-PLNGDYQASA-N 0 0 327.283 4.571 50 30 EJEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)cc1 ZINC000004607922 210230346 /nfs/dbraw/zinc/23/03/46/210230346.db2.gz MZCOSEUTRLHWLP-UHFFFAOYSA-N 0 0 339.398 4.745 50 30 EJEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000004582830 210226081 /nfs/dbraw/zinc/22/60/81/210226081.db2.gz PQKKNZVPDKSGIX-WUXMJOGZSA-N 0 0 328.367 4.978 50 30 EJEARN COc1cccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1OC ZINC000004582694 210225959 /nfs/dbraw/zinc/22/59/59/210225959.db2.gz DHIUJAWYTITWSU-CLFYSBASSA-N 0 0 337.202 4.907 50 30 EJEARN COc1ccc(NC=CC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000100364544 219097933 /nfs/dbraw/zinc/09/79/33/219097933.db2.gz RFCOCUOSOYJBNY-VOTSOKGWSA-N 0 0 328.220 4.872 50 30 EJEARN O=C(Nc1cccc(/N=C/c2ccncc2)c1)c1ccccc1Cl ZINC000100384329 219098493 /nfs/dbraw/zinc/09/84/93/219098493.db2.gz NJJKASVDKSVWDY-LPYMAVHISA-N 0 0 335.794 4.738 50 30 EJEARN Cc1nc2cc(C)ccn2c1/C(CSc1ccc(Cl)cc1)=N/O ZINC000100914614 219110764 /nfs/dbraw/zinc/11/07/64/219110764.db2.gz ZQKNLUPXKAJHGP-HMMYKYKNSA-N 0 0 345.855 4.575 50 30 EJEARN C#CCn1c2ccccc2nc1COc1ccc(Cl)cc1Cl ZINC000004385625 210185384 /nfs/dbraw/zinc/18/53/84/210185384.db2.gz NTHTWGDZOSUGRZ-UHFFFAOYSA-N 0 0 331.202 4.555 50 30 EJEARN Oc1ccccc1C=NNc1nc2c(cc(Cl)cc2Cl)s1 ZINC000004382708 210183535 /nfs/dbraw/zinc/18/35/35/210183535.db2.gz UWHUJDFEBVWUDP-REZTVBANSA-N 0 0 338.219 4.755 50 30 EJEARN C=C1Nc2ccccc2NC(=O)[C@H]1Sc1nc2ccccc2s1 ZINC000101181510 219118548 /nfs/dbraw/zinc/11/85/48/219118548.db2.gz ZARFQBUXZJKJJF-HNNXBMFYSA-N 0 0 339.445 4.984 50 30 EJEARN C=C1Nc2ccccc2NC(=O)[C@@H]1Sc1nc2ccccc2s1 ZINC000101181514 219118959 /nfs/dbraw/zinc/11/89/59/219118959.db2.gz ZARFQBUXZJKJJF-OAHLLOKOSA-N 0 0 339.445 4.984 50 30 EJEARN CCO[P@@](=O)(C#CC(C)(C)C)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000004327990 210171709 /nfs/dbraw/zinc/17/17/09/210171709.db2.gz LOOMGBANYDMLRT-WNSKOXEYSA-N 0 0 348.301 4.716 50 30 EJEARN N#CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000004246634 210151341 /nfs/dbraw/zinc/15/13/41/210151341.db2.gz VYXUNSFBPSYSJM-UHFFFAOYSA-N 0 0 347.365 4.719 50 30 EJEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccccc1 ZINC000004072784 210113803 /nfs/dbraw/zinc/11/38/03/210113803.db2.gz VDWMFAALTYCWIK-HNENSFHCSA-N 0 0 337.404 4.543 50 30 EJEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1Cl ZINC000013476312 201897215 /nfs/dbraw/zinc/89/72/15/201897215.db2.gz JBTYOVJZMOBXIN-NTEUORMPSA-N 0 0 349.242 4.885 50 30 EJEARN C/C(CCc1oc2ccc([N+](=O)[O-])cc2c1-c1ccc(C)o1)=N/O ZINC000013590352 201903422 /nfs/dbraw/zinc/90/34/22/201903422.db2.gz BBSJIKZVBZUISQ-ZDLGFXPLSA-N 0 0 328.324 4.692 50 30 EJEARN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004026419 210102764 /nfs/dbraw/zinc/10/27/64/210102764.db2.gz AGUNEISBPXQOPA-XMUHMHRVSA-N 0 0 334.887 4.612 50 30 biogenic,world EJEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000004020040 210102327 /nfs/dbraw/zinc/10/23/27/210102327.db2.gz RAACWZDSRFHLJL-AEFFLSMTSA-N 0 0 344.867 4.715 50 30 EJEARN Brc1ccc(C=NN=c2[nH]c3ccccc3s2)s1 ZINC000003909679 210092584 /nfs/dbraw/zinc/09/25/84/210092584.db2.gz WQYXRFGIGZYALW-VGOFMYFVSA-N 0 0 338.255 4.566 50 30 EJEARN O=C(/C=C/c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000003911132 210092653 /nfs/dbraw/zinc/09/26/53/210092653.db2.gz ZUTODBOCROLQHU-XVNBXDOJSA-N 0 0 345.181 4.996 50 30 EJEARN COc1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O ZINC000003909386 210091806 /nfs/dbraw/zinc/09/18/06/210091806.db2.gz VDJKFRQYPRJKDV-CNHKJKLMSA-N 0 0 345.613 4.807 50 30 EJEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C3CCCC3)sc2C1 ZINC000003901358 210087829 /nfs/dbraw/zinc/08/78/29/210087829.db2.gz AILJKXMZNMOMNH-CYBMUJFWSA-N 0 0 330.497 4.899 50 30 EJEARN COc1cc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2cc1OC ZINC000003815313 210077393 /nfs/dbraw/zinc/07/73/93/210077393.db2.gz GRSMJKZUNQCQJN-UHFFFAOYSA-N 0 0 347.418 4.991 50 30 EJEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000102531898 219209480 /nfs/dbraw/zinc/20/94/80/219209480.db2.gz LVJJOUWNELMEMX-GOSISDBHSA-N 0 0 333.362 4.558 50 30 EJEARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000003364090 210018786 /nfs/dbraw/zinc/01/87/86/210018786.db2.gz TWVHQKNTMGZYLK-UHFFFAOYSA-N 0 0 342.826 4.661 50 30 EJEARN N#Cc1c(NC(=O)Nc2cccc3ccccc32)sc2c1CCC2 ZINC000002765965 209906065 /nfs/dbraw/zinc/90/60/65/209906065.db2.gz FLIFVSWFIJQTLD-UHFFFAOYSA-N 0 0 333.416 4.906 50 30 EJEARN Clc1ccccc1/N=C/c1ccc(OCC2=CCOCC2)cc1 ZINC000103552870 219313887 /nfs/dbraw/zinc/31/38/87/219313887.db2.gz LJJJSKJVSRHOBJ-FYJGNVAPSA-N 0 0 327.811 4.816 50 30 EJEARN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2cccc(Cl)c2)c1 ZINC000103760938 219324038 /nfs/dbraw/zinc/32/40/38/219324038.db2.gz VWRWBGLFKHIKNU-VXLYETTFSA-N 0 0 326.739 4.858 50 30 EJEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000040139512 213270807 /nfs/dbraw/zinc/27/08/07/213270807.db2.gz AEGLOYMOCUIURD-CMDGGOBGSA-N 0 0 326.808 4.755 50 30 EJEARN Cc1ccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000001415489 209744167 /nfs/dbraw/zinc/74/41/67/209744167.db2.gz COJRSNUYMTZFMU-IJYYVMIVSA-N 0 0 341.867 4.650 50 30 EJEARN CCOc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000001411140 209742624 /nfs/dbraw/zinc/74/26/24/209742624.db2.gz AIARKZGOCSLINZ-UAHNYKDTSA-N 0 0 348.446 4.839 50 30 EJEARN Cc1cc2c(cc1C)N[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001065099 209707742 /nfs/dbraw/zinc/70/77/42/209707742.db2.gz ABWYEMQVFYCFOO-NRFANRHFSA-N 0 0 347.462 4.920 50 30 EJEARN Cc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000019800865 202022511 /nfs/dbraw/zinc/02/25/11/202022511.db2.gz HXSCPXCKEDXDKT-FWSOMWAYSA-N 0 0 345.486 4.902 50 30 EJEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(=S)[nH]2)cc1 ZINC000038490592 213211737 /nfs/dbraw/zinc/21/17/37/213211737.db2.gz IAHVSBSNNGSYDJ-UHFFFAOYSA-N 0 0 348.427 4.593 50 30 EJEARN N#Cc1ccc(Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000000573689 209670182 /nfs/dbraw/zinc/67/01/82/209670182.db2.gz ZSQQYYGJCFHBED-UHFFFAOYSA-N 0 0 336.394 4.792 50 30 EJEARN CCCN(CCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 ZINC000020827551 202056425 /nfs/dbraw/zinc/05/64/25/202056425.db2.gz PDSBADUYBZKSFW-UHFFFAOYSA-N 0 0 329.488 4.554 50 30 EJEARN N#Cc1cccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 ZINC000024964860 202123791 /nfs/dbraw/zinc/12/37/91/202123791.db2.gz GDJILTQRWYJQSR-UHFFFAOYSA-N 0 0 331.346 4.507 50 30 EJEARN O=[N+]([O-])c1cccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000000502235 209637882 /nfs/dbraw/zinc/63/78/82/209637882.db2.gz DQUMSCPUWFLITB-FYJGNVAPSA-N 0 0 342.358 4.889 50 30 EJEARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000036614101 213101982 /nfs/dbraw/zinc/10/19/82/213101982.db2.gz XYANRLAIRYVGLJ-UHFFFAOYSA-N 0 0 338.476 4.803 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000000428105 209594136 /nfs/dbraw/zinc/59/41/36/209594136.db2.gz AAFCZIVLTILZBR-IFMALSPDSA-N 0 0 348.442 4.623 50 30 EJEARN CN1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C\C=C\c2ccccc2)C1 ZINC000033913220 202271713 /nfs/dbraw/zinc/27/17/13/202271713.db2.gz UZMNXCUMVFUXQA-YDFQZSIMSA-N 0 0 341.454 4.781 50 30 EJEARN N#Cc1cccc(NC(=O)c2ccc(CSc3ccccc3)o2)c1 ZINC000030619042 212703393 /nfs/dbraw/zinc/70/33/93/212703393.db2.gz KBWYKFQRPNRZQI-UHFFFAOYSA-N 0 0 334.400 4.696 50 30 EJEARN C=C(Br)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000000189713 209472878 /nfs/dbraw/zinc/47/28/78/209472878.db2.gz KLPDMRMYTTZATD-UHFFFAOYSA-N 0 0 343.224 4.524 50 30 EJEARN CC(=O)/C=C/c1ccccc1Oc1ccc(Br)cc1F ZINC000000169210 209461818 /nfs/dbraw/zinc/46/18/18/209461818.db2.gz NULGMYYXDTUAJE-VOTSOKGWSA-N 0 0 335.172 4.983 50 30 EJEARN CCOc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2 ZINC000000159508 209457886 /nfs/dbraw/zinc/45/78/86/209457886.db2.gz WLRMAXJLCJRFBD-UHFFFAOYSA-N 0 0 330.362 4.729 50 30 EJEARN CN(C)/C=C/C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000000111047 209427922 /nfs/dbraw/zinc/42/79/22/209427922.db2.gz MYKKHTLFMHBFPA-BQYQJAHWSA-N 0 0 343.732 4.877 50 30 EJEARN CC(C)(C)c1ccc(-c2nnc(NC(=O)C(F)(F)F)s2)cc1 ZINC000001279963 201055347 /nfs/dbraw/zinc/05/53/47/201055347.db2.gz AWYODRRVSLTZSS-UHFFFAOYSA-N 0 0 329.347 4.653 50 30 EJEARN CC(C)=C1Oc2c(ccc3c2[C@H](C2CCCCC2)CC(=O)O3)C1=O ZINC000217597023 241262783 /nfs/dbraw/zinc/26/27/83/241262783.db2.gz HVIGIMNFKLQKOO-AWEZNQCLSA-N 0 0 326.392 4.529 50 30 biogenic EJEARN N#Cc1c(Cl)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003029437 201555306 /nfs/dbraw/zinc/55/53/06/201555306.db2.gz HALNRTNGKPSHHF-UHFFFAOYSA-N 0 0 326.186 4.989 50 30 EJEARN N#CCOc1c(=O)c2cc(Cl)ccc2oc1-c1ccc(Cl)cc1 ZINC000005607488 201657318 /nfs/dbraw/zinc/65/73/18/201657318.db2.gz POQMCCGZZIMWHA-UHFFFAOYSA-N 0 0 346.169 4.669 50 30 EJEARN CC(C)(C)C1C/C(=C/c2ccccn2)C(=O)/C(=C\c2ccccn2)C1 ZINC000005632364 201658251 /nfs/dbraw/zinc/65/82/51/201658251.db2.gz LSJAFGPDIQTRTL-RYOQUFEFSA-N 0 0 332.447 4.969 50 30 EJEARN CC(C)(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000020617343 212156556 /nfs/dbraw/zinc/15/65/56/212156556.db2.gz DELDZCQTBKUTOE-LSDHHAIUSA-N 0 0 348.372 4.713 50 30 EJEARN CC[C@H](CNc1oc(-c2ccc(OC)cc2)nc1C#N)c1ccccc1 ZINC000072238626 203184298 /nfs/dbraw/zinc/18/42/98/203184298.db2.gz JFAVMLSSNFVOMX-OAHLLOKOSA-N 0 0 347.418 4.828 50 30 EJEARN CC1CCN(c2nc3ccccc3c(N3CCC(C)CC3)c2C#N)CC1 ZINC000019872596 212077779 /nfs/dbraw/zinc/07/77/79/212077779.db2.gz VFKOVFSWRLCDJR-UHFFFAOYSA-N 0 0 348.494 4.579 50 30 EJEARN CSc1nc(NC(C)(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820586 212072394 /nfs/dbraw/zinc/07/23/94/212072394.db2.gz UTYUAIYPUYWOLI-UHFFFAOYSA-N 0 0 332.860 4.601 50 30 EJEARN C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000078482892 203418908 /nfs/dbraw/zinc/41/89/08/203418908.db2.gz RUUGOAHXKMWFSW-MRXNPFEDSA-N 0 0 334.419 4.613 50 30 EJEARN COc1ccc(-c2cnc(SCCC#N)n2-c2ccccc2)cc1 ZINC000044085329 204294203 /nfs/dbraw/zinc/29/42/03/204294203.db2.gz VPIDGMFDQKVBSZ-UHFFFAOYSA-N 0 0 335.432 4.554 50 30 EJEARN N#CCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000019201934 212003948 /nfs/dbraw/zinc/00/39/48/212003948.db2.gz LZRFKAQXWCOORL-NRFANRHFSA-N 0 0 333.479 4.906 50 30 biogenic EJEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1C ZINC000016711342 211930980 /nfs/dbraw/zinc/93/09/80/211930980.db2.gz NUPBQZRVHOBCOW-MRCUWXFGSA-N 0 0 336.460 4.952 50 30 EJEARN C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000013685113 211609157 /nfs/dbraw/zinc/60/91/57/211609157.db2.gz OTPUAQIJMOJQBS-JTQLQIEISA-N 0 0 340.370 4.886 50 30 EJEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 ZINC000012406350 211370197 /nfs/dbraw/zinc/37/01/97/211370197.db2.gz CFMYMGVPGPWIRI-UAGDZQSXSA-N 0 0 336.410 4.887 50 30 EJEARN CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 ZINC000009422730 211083355 /nfs/dbraw/zinc/08/33/55/211083355.db2.gz ULAYTVTWUIGKMX-SECBINFHSA-N 0 0 328.403 4.845 50 30 EJEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccccc2C)NC1=O ZINC000009046493 211033391 /nfs/dbraw/zinc/03/33/91/211033391.db2.gz QCNACJOIUMGCHX-COVZNBLNSA-N 0 0 334.444 4.833 50 30 EJEARN N#Cc1ccccc1OCc1csc(-c2ccccc2Cl)n1 ZINC000008428766 210952141 /nfs/dbraw/zinc/95/21/41/210952141.db2.gz YLAFKWBXIPAHNX-UHFFFAOYSA-N 0 0 326.808 4.914 50 30 EJEARN Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(F)c(-c2cccs2)c1 ZINC000096032817 218517727 /nfs/dbraw/zinc/51/77/27/218517727.db2.gz KSUGDGHYQXDMGN-CLFYSBASSA-N 0 0 340.423 4.801 50 30 EJEARN N#Cc1cnn2c(NC3CCCCC3)c(-c3cccc(Cl)c3)[nH]c12 ZINC000006768466 210706888 /nfs/dbraw/zinc/70/68/88/210706888.db2.gz WDIXLHZGQPVOSR-UHFFFAOYSA-N 0 0 339.830 4.599 50 30 EJEARN C=C[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000006166325 210595508 /nfs/dbraw/zinc/59/55/08/210595508.db2.gz SXYGBCZXKVKOAF-YAFRSCOQSA-N 0 0 343.379 4.697 50 30 EJEARN N#CCCn1cc(-c2csc(N3CCCCC3)n2)c2ccccc21 ZINC000012556072 207170090 /nfs/dbraw/zinc/17/00/90/207170090.db2.gz KRNZODDBJIZGBQ-UHFFFAOYSA-N 0 0 336.464 4.669 50 30 EJEARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(F)c(F)c1 ZINC000096759356 218889090 /nfs/dbraw/zinc/88/90/90/218889090.db2.gz TWXABSZRECIILZ-LUAWRHEFSA-N 0 0 338.357 4.663 50 30 EJEARN COc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000096766640 218889757 /nfs/dbraw/zinc/88/97/57/218889757.db2.gz SVRYLUBGJJZXLL-VURMDHGXSA-N 0 0 336.309 4.619 50 30 EJEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc2ccccc12 ZINC000005201241 210412473 /nfs/dbraw/zinc/41/24/73/210412473.db2.gz DFNZKCFAIJQBDP-QGOAFFKASA-N 0 0 330.412 4.731 50 30 EJEARN CCOc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000005073292 210385493 /nfs/dbraw/zinc/38/54/93/210385493.db2.gz RNBTZCMKABTPIL-IZZDOVSWSA-N 0 0 331.209 4.744 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(C)c1 ZINC000097104986 218956362 /nfs/dbraw/zinc/95/63/62/218956362.db2.gz FBTRBADUTASPPS-IRLDBZIGSA-N 0 0 348.442 4.623 50 30 EJEARN COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000004997258 210354092 /nfs/dbraw/zinc/35/40/92/210354092.db2.gz HYJYGZKGXYSJHG-RCCKNPSSSA-N 0 0 347.374 4.776 50 30 EJEARN CCOc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004994033 210353166 /nfs/dbraw/zinc/35/31/66/210353166.db2.gz DVHJONKWFPAZSA-UHFFFAOYSA-N 0 0 330.497 4.752 50 30 EJEARN COc1ccc(/C=N/CCC23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000004981416 210348449 /nfs/dbraw/zinc/34/84/49/210348449.db2.gz QCVNMBWERVTAKW-HYARGMPZSA-N 0 0 327.468 4.729 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000004898550 210315749 /nfs/dbraw/zinc/31/57/49/210315749.db2.gz WWPKUGQERABLTG-IEEUGTCFSA-N 0 0 346.426 4.562 50 30 EJEARN CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 ZINC000004862848 210304798 /nfs/dbraw/zinc/30/47/98/210304798.db2.gz AMARTHKWEQBHBL-YBFXNURJSA-N 0 0 327.840 4.934 50 30 EJEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000004819757 210286410 /nfs/dbraw/zinc/28/64/10/210286410.db2.gz YMVZXXNGKZKIAR-QPJJXVBHSA-N 0 0 343.722 4.997 50 30 EJEARN Brc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000004828703 210290299 /nfs/dbraw/zinc/29/02/99/210290299.db2.gz VCJLQJPSEKWOJU-CXUHLZMHSA-N 0 0 332.226 4.505 50 30 EJEARN COc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O ZINC000004794914 210279824 /nfs/dbraw/zinc/27/98/24/210279824.db2.gz ODVBZPGFVOPVLI-DNTJNYDQSA-N 0 0 329.705 4.824 50 30 EJEARN COc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000004791721 210278455 /nfs/dbraw/zinc/27/84/55/210278455.db2.gz QXQBRIWRTAVJRD-VXLYETTFSA-N 0 0 343.839 4.918 50 30 EJEARN O=C1C=C(c2ccccc2)C[C@@H](c2ccc(Br)cc2)C1 ZINC000004784190 210277684 /nfs/dbraw/zinc/27/76/84/210277684.db2.gz SORBLNXFXQCLRW-MRXNPFEDSA-N 0 0 327.221 4.979 50 30 EJEARN N#Cc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000004775584 210275982 /nfs/dbraw/zinc/27/59/82/210275982.db2.gz ZGLYKMCMVFNJRF-UHFFFAOYSA-N 0 0 326.399 4.596 50 30 EJEARN O=C(/C(=C\c1ccncc1)c1nc2ccccc2o1)c1ccccc1 ZINC000004747043 210268267 /nfs/dbraw/zinc/26/82/67/210268267.db2.gz IOVKXBOFSCCQPV-SAPNQHFASA-N 0 0 326.355 4.646 50 30 EJEARN CCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1 ZINC000002173188 257869130 /nfs/dbraw/zinc/86/91/30/257869130.db2.gz QQSLVXAXJVWWQF-UHFFFAOYSA-N 0 0 325.518 4.963 50 30 EJEARN C=CCOC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002768579 258046963 /nfs/dbraw/zinc/04/69/63/258046963.db2.gz DEJLMDUCQKSIRK-UHFFFAOYSA-N 0 0 327.163 4.508 50 30 EJEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C)cc1 ZINC000002447105 258016322 /nfs/dbraw/zinc/01/63/22/258016322.db2.gz MJJVZKJXEUSQJK-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN O/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002584084 258049971 /nfs/dbraw/zinc/04/99/71/258049971.db2.gz BTTPSAYYBOVDKX-HYARGMPZSA-N 0 0 333.387 4.653 50 30 EJEARN COc1ccc(/C=N/c2sccc2C(=O)NC2CCCCC2)cc1 ZINC000006490612 258051918 /nfs/dbraw/zinc/05/19/18/258051918.db2.gz SXKOEYPTWPNKKB-DEDYPNTBSA-N 0 0 342.464 4.570 50 30 EJEARN C=CCS/C(=N\c1ccccc1)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000013465515 258056110 /nfs/dbraw/zinc/05/61/10/258056110.db2.gz HZILCQONIALCAS-DSGGYQJVSA-N 0 0 332.432 4.819 50 30 EJEARN CCc1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013467535 258056139 /nfs/dbraw/zinc/05/61/39/258056139.db2.gz KDCCEIBVSQHLQO-QXMHVHEDSA-N 0 0 335.325 4.956 50 30 EJEARN C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346560 258073681 /nfs/dbraw/zinc/07/36/81/258073681.db2.gz QRBQTBMHAOMKGV-PUYURFJASA-N 0 0 331.500 4.776 50 30 EJEARN C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@]43C)OCCO5)[C@H]1CC[C@H]2C=O ZINC000257346565 258073696 /nfs/dbraw/zinc/07/36/96/258073696.db2.gz SHBDEYQGGFCLQI-LDIYZUBKSA-N 0 0 344.495 4.507 50 30 EJEARN C(=N/N1CCN(c2ccccc2)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000002702913 135658030 /nfs/dbraw/zinc/65/80/30/135658030.db2.gz MKUKMYUEAOFMIZ-LYBHJNIJSA-N 0 0 341.458 4.510 50 30 EJEARN Cc1nonc1[N-][NH+]=C1C=CC(=O)C(C=Nc2ccccc2Cl)=C1 ZINC000005276928 518194339 /nfs/dbraw/zinc/19/43/39/518194339.db2.gz DYAJIDMZSYYZKE-HWEFLWFZSA-N 0 0 341.758 4.903 50 30 EJEARN C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 ZINC000000372936 518470073 /nfs/dbraw/zinc/47/00/73/518470073.db2.gz XTOAXNCVFKLQHT-LTGZKZEYSA-N 0 0 325.408 4.672 50 30 EJEARN CC(C)(/C=N/OCc1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000003134246 518505278 /nfs/dbraw/zinc/50/52/78/518505278.db2.gz PKSHAZPEPZTDMI-QGOAFFKASA-N 0 0 330.409 4.668 50 30 EJEARN C=C(C)c1nc(C#N)c(N=NCc2cccc(OCCCCC)c2)o1 ZINC000027562507 518649582 /nfs/dbraw/zinc/64/95/82/518649582.db2.gz QPHSRDBOKDWRAI-FYJGNVAPSA-N 0 0 338.411 4.594 50 30 EJEARN C=C1C[C@@H]2[C@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254458083 518667131 /nfs/dbraw/zinc/66/71/31/518667131.db2.gz PNUPHAWFSSBOAI-YWMWFZBESA-N 0 0 342.479 4.616 50 30 EJEARN C=CCSc1ccccc1NC(=O)N(Cc1ccco1)C1CC1 ZINC000040104101 519077147 /nfs/dbraw/zinc/07/71/47/519077147.db2.gz AKNMJQIBYCQEBY-UHFFFAOYSA-N 0 0 328.437 4.754 50 30 EJEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1C1CCCCC1 ZINC000004286518 519239052 /nfs/dbraw/zinc/23/90/52/519239052.db2.gz ASFFUHZFJHIIFZ-UHFFFAOYSA-N 0 0 338.480 4.676 50 30 EJEARN CC(C)Cn1ccc2cc(NC(=O)c3ccnc(N=[N+]=[N-])c3)ccc21 ZINC000108518676 519516412 /nfs/dbraw/zinc/51/64/12/519516412.db2.gz VIDAWQFMCKZXKN-UHFFFAOYSA-N 0 0 334.383 4.886 50 30 EJEARN CC(=O)[C@@H](/C=N/OCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000005283716 519760091 /nfs/dbraw/zinc/76/00/91/519760091.db2.gz HMWXUEXAYBJVBM-ZTBJCTOSSA-N 0 0 335.325 4.581 50 30 EJEARN CCCCCCCC(=O)Oc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000002023269 519966349 /nfs/dbraw/zinc/96/63/49/519966349.db2.gz SGVFTWBVABCADA-UHFFFAOYSA-N 0 0 344.411 4.501 50 30 biogenic EJEARN CCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)cc1 ZINC000012419846 520247430 /nfs/dbraw/zinc/24/74/30/520247430.db2.gz PRTQRJRJTYPAFD-HKWRFOASSA-N 0 0 349.430 4.909 50 30 EJEARN CCCOc1ccc(NC(C)=CC(=O)c2ccc(OC)cc2)cc1 ZINC000004818924 520384429 /nfs/dbraw/zinc/38/44/29/520384429.db2.gz QFVWRXMKNJTLSF-CCEZHUSRSA-N 0 0 325.408 4.683 50 30 EJEARN CCOc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000096766669 520637436 /nfs/dbraw/zinc/63/74/36/520637436.db2.gz HCZLZDDFSKMKCZ-VURMDHGXSA-N 0 0 336.309 4.706 50 30 EJEARN CN(CCC#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006543373 522671670 /nfs/dbraw/zinc/67/16/70/522671670.db2.gz MZWUOCJMWKOBEO-UHFFFAOYSA-N 0 0 344.867 4.618 50 30 EJEARN COc1ccc(/C=C/C(=O)C2CC2)cc1COc1ccc(Cl)cc1 ZINC000000442974 523382880 /nfs/dbraw/zinc/38/28/80/523382880.db2.gz SEBKSADVQRIZIG-WTDSWWLTSA-N 0 0 342.822 4.920 50 30 EJEARN CCn1nccc1C(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000006490114 523709091 /nfs/dbraw/zinc/70/90/91/523709091.db2.gz MVYSVNPFFRPQEQ-SOFGYWHQSA-N 0 0 326.783 4.713 50 30 EJEARN CCc1ccc(C(C)N=Nc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000004947394 523870696 /nfs/dbraw/zinc/87/06/96/523870696.db2.gz WRMTVBPERKOICY-LFVJCYFKSA-N 0 0 330.435 4.851 50 30 EJEARN COc1ccc(CSCCN=C(Nc2ccccc2)SC)cc1 ZINC000001875066 524123172 /nfs/dbraw/zinc/12/31/72/524123172.db2.gz KXFWZJWFMQEBJI-UHFFFAOYSA-N 0 0 346.521 4.569 50 30 EJEARN Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 ZINC000005617814 525855930 /nfs/dbraw/zinc/85/59/30/525855930.db2.gz NERKTQZFNARWSS-OFUCEVFWSA-N 0 0 337.394 4.595 50 30 EJEARN N#CCCCOc1cccc(CN[C@@H](c2ccco2)c2ccccc2)c1 ZINC000069452989 526446028 /nfs/dbraw/zinc/44/60/28/526446028.db2.gz AOSFXUWKXIOTPS-JOCHJYFZSA-N 0 0 346.430 4.841 50 30 EJEARN Clc1ccc(CO/N=C(\c2ccc(C3CC3)nc2)C2CC2)cc1 ZINC000004051312 526950312 /nfs/dbraw/zinc/95/03/12/526950312.db2.gz CWAVAVAKUVHEBC-QOCHGBHMSA-N 0 0 326.827 4.943 50 30 EJEARN O=C(Cc1ccccc1)OC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000000262390 527284047 /nfs/dbraw/zinc/28/40/47/527284047.db2.gz KRJOKFMAPIKTBR-UHFFFAOYSA-N 0 0 340.378 4.537 50 30 EJEARN O=C(/C=C/c1ccc(NC(=O)Cc2cccs2)cc1)c1ccccc1 ZINC000004675515 527611858 /nfs/dbraw/zinc/61/18/58/527611858.db2.gz UGKVYPXQDFCPLT-JLHYYAGUSA-N 0 0 347.439 4.825 50 30 EJEARN CCc1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044843376 564027421 /nfs/dbraw/zinc/02/74/21/564027421.db2.gz YZCGBUVHVGTHRK-ZHACJKMWSA-N 0 0 330.225 4.820 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(Br)c(Cl)c2)s1 ZINC000000065066 563214440 /nfs/dbraw/zinc/21/44/40/563214440.db2.gz BGRXFMDYTJSNTG-MKMNVTDBSA-N 0 0 345.605 4.823 50 30 EJEARN CCN(CC)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC000000174009 563252219 /nfs/dbraw/zinc/25/22/19/563252219.db2.gz BOJNTKDIXKWTAY-YBFXNURJSA-N 0 0 347.802 4.551 50 30 EJEARN COc1ccc(C(=O)C=CNc2ccc(Br)c(C)c2)cc1 ZINC000000449499 563318597 /nfs/dbraw/zinc/31/85/97/563318597.db2.gz ZFOMGJMAIRILSY-MDZDMXLPSA-N 0 0 346.224 4.575 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2ccc(Br)c(Cl)c2)C1 ZINC000000449438 563318654 /nfs/dbraw/zinc/31/86/54/563318654.db2.gz UMUQQXHCOSHPKS-UHFFFAOYSA-N 0 0 328.637 4.787 50 30 EJEARN CC1(C)CC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)C1 ZINC000001452449 563389950 /nfs/dbraw/zinc/38/99/50/563389950.db2.gz HJYHJEFCFXKDBP-UHFFFAOYSA-N 0 0 328.795 4.942 50 30 EJEARN Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2ccc(Cl)cc2)c1Cl ZINC000004013610 563492067 /nfs/dbraw/zinc/49/20/67/563492067.db2.gz BZVXOWRTRJLCPA-VOTSOKGWSA-N 0 0 349.139 4.642 50 30 EJEARN O=C(CO/N=C/c1ccccc1)N1c2ccccc2Oc2ccccc21 ZINC000004154837 563496011 /nfs/dbraw/zinc/49/60/11/563496011.db2.gz KUVMEHMOSGVAAH-HYARGMPZSA-N 0 0 344.370 4.508 50 30 EJEARN CCCCc1c(C)c2ccc3oc(/C(C)=N/O)c(C)c3c2oc1=O ZINC000004665005 563507220 /nfs/dbraw/zinc/50/72/20/563507220.db2.gz WBOPKJWHMXHCKJ-UDWIEESQSA-N 0 0 327.380 4.697 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004712886 563508856 /nfs/dbraw/zinc/50/88/56/563508856.db2.gz DTHOQWRCORRYTE-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN CSC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)S1 ZINC000004755163 563510410 /nfs/dbraw/zinc/51/04/10/563510410.db2.gz UQJSEPBLYSJBPA-WQLSENKSSA-N 0 0 335.837 4.933 50 30 EJEARN O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2cccc(Cl)c2)c1 ZINC000005713970 563546661 /nfs/dbraw/zinc/54/66/61/563546661.db2.gz JUDOWYFUDYCLCE-QGMBQPNBSA-N 0 0 326.686 4.600 50 30 EJEARN Cc1cc2c(cc1C)N[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006492259 563569991 /nfs/dbraw/zinc/56/99/91/563569991.db2.gz QCQSHKHYILHMFE-NRFANRHFSA-N 0 0 347.462 4.920 50 30 EJEARN CCCOc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000008742815 563638845 /nfs/dbraw/zinc/63/88/45/563638845.db2.gz XEQNJPHIRAYBSU-UHFFFAOYSA-N 0 0 345.449 4.692 50 30 EJEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 ZINC000012406258 563660043 /nfs/dbraw/zinc/66/00/43/563660043.db2.gz DEAZYYRFSMMYGF-PTGBLXJZSA-N 0 0 334.394 4.797 50 30 EJEARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 ZINC000012406348 563660048 /nfs/dbraw/zinc/66/00/48/563660048.db2.gz CFMYMGVPGPWIRI-QWEZLZDISA-N 0 0 336.410 4.887 50 30 EJEARN Fc1ccc(/C=N/c2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 ZINC000013113907 563688119 /nfs/dbraw/zinc/68/81/19/563688119.db2.gz HBTWSYXMVAJGBH-SRZZPIQSSA-N 0 0 341.386 4.685 50 30 EJEARN CCON=C(CC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O ZINC000013539414 563700406 /nfs/dbraw/zinc/70/04/06/563700406.db2.gz DQFPEYARZIQXRM-JJTVEENBSA-N 0 0 329.440 4.673 50 30 in-vitro EJEARN CCN(CC)c1ccc(/C=N/c2cccc(Br)c2)c(O)c1 ZINC000013943126 563732125 /nfs/dbraw/zinc/73/21/25/563732125.db2.gz WWVXMTJLRFAZPX-XDHOZWIPSA-N 0 0 347.256 4.752 50 30 EJEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 ZINC000004539027 563760904 /nfs/dbraw/zinc/76/09/04/563760904.db2.gz FNHVYURUALTEKK-OVCLIPMQSA-N 0 0 330.383 4.867 50 30 EJEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccs2)S1 ZINC000015016570 563772848 /nfs/dbraw/zinc/77/28/48/563772848.db2.gz ZKSMOPGRBAHUBT-JYRVWZFOSA-N 0 0 334.853 4.602 50 30 EJEARN COc1ccc(OC)c(NC(C)=CC(=O)c2ccc(Cl)cc2)c1 ZINC000017746921 563845437 /nfs/dbraw/zinc/84/54/37/563845437.db2.gz ACPAGQZUBQHUPR-ZRDIBKRKSA-N 0 0 331.799 4.556 50 30 EJEARN N#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCCCCC2 ZINC000000484172 563920183 /nfs/dbraw/zinc/92/01/83/563920183.db2.gz BZADPQVFHLKTJV-UHFFFAOYSA-N 0 0 328.412 4.670 50 30 EJEARN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCCCC1 ZINC000032975360 563920530 /nfs/dbraw/zinc/92/05/30/563920530.db2.gz ZZBKGAWQMYLHQY-UHFFFAOYSA-N 0 0 336.460 4.726 50 30 EJEARN Cc1ccccc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O ZINC000013625954 563930788 /nfs/dbraw/zinc/93/07/88/563930788.db2.gz XRPSEXAGUNCQIE-WQRHYEAKSA-N 0 0 336.387 4.563 50 30 EJEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000013733980 563932528 /nfs/dbraw/zinc/93/25/28/563932528.db2.gz LVHKDYCKMFWSST-HNNXBMFYSA-N 0 0 349.217 4.854 50 30 EJEARN CCCCc1nc(N2CCCCC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013764917 563932793 /nfs/dbraw/zinc/93/27/93/563932793.db2.gz CDXWFFVATVYIJU-UHFFFAOYSA-N 0 0 343.540 4.854 50 30 EJEARN O=C1ON=C(c2ccccc2)C1=CNc1ccccc1-c1ccccc1 ZINC000109935557 563934986 /nfs/dbraw/zinc/93/49/86/563934986.db2.gz KPDXDTGUTJDUCQ-CYVLTUHYSA-N 0 0 340.382 4.611 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1csc(-c3ccco3)n1)C2=O ZINC000058381497 563944428 /nfs/dbraw/zinc/94/44/28/563944428.db2.gz JZPREMLJXSBLID-UKTHLTGXSA-N 0 0 337.400 4.624 50 30 EJEARN CCCCCCCCCc1nn2c(nc3ccccc3c2=O)s1 ZINC000097941841 563951624 /nfs/dbraw/zinc/95/16/24/563951624.db2.gz MAMMWOYDBKQPDA-UHFFFAOYSA-N 0 0 329.469 4.597 50 30 EJEARN O=C(/C=C/c1ccco1)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 ZINC000004695695 563964628 /nfs/dbraw/zinc/96/46/28/563964628.db2.gz REBAXFANQMHLQT-CRALUGIISA-N 0 0 349.411 4.889 50 30 EJEARN N#C[C@@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2c1ccccc1O ZINC000004728589 563966495 /nfs/dbraw/zinc/96/64/95/563966495.db2.gz NYPAPXFYOSDURV-DGQTTZFYSA-N 0 0 335.451 4.507 50 30 EJEARN COc1ccc(-c2cc(C)nc(SCc3cccnc3)c2C#N)cc1 ZINC000000033204 563967745 /nfs/dbraw/zinc/96/77/45/563967745.db2.gz RAJQQHPTDVGAHO-UHFFFAOYSA-N 0 0 347.443 4.625 50 30 EJEARN O=C(/C=C\c1ccc(OC(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC000098025187 563971181 /nfs/dbraw/zinc/97/11/81/563971181.db2.gz PEYFTQHWVHBMKD-SSZFMOIBSA-N 0 0 342.394 4.731 50 30 EJEARN CCCCCCC#Cc1cncc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000095660912 563977613 /nfs/dbraw/zinc/97/76/13/563977613.db2.gz PMIZQRDOMBJVDK-UHFFFAOYSA-N 0 0 342.389 4.934 50 30 EJEARN COc1cccc(/C=C/C(=O)c2c(Cl)n(C)c3ccccc32)c1 ZINC000096026277 563977912 /nfs/dbraw/zinc/97/79/12/563977912.db2.gz DGMIHMFFVHAURI-ZHACJKMWSA-N 0 0 325.795 4.736 50 30 EJEARN CCCCCCCCCCNC(=O)[C@@H](OC(C)=O)c1ccccc1 ZINC000097950620 563982128 /nfs/dbraw/zinc/98/21/28/563982128.db2.gz XDWZGIKJCUZYCW-IBGZPJMESA-N 0 0 333.472 4.548 50 30 EJEARN CCCCCCCCCCN(C)c1cc(CO)cc(NC(C)=O)c1 ZINC000100077927 563982343 /nfs/dbraw/zinc/98/23/43/563982343.db2.gz YGFQCJGXLSFQPL-UHFFFAOYSA-N 0 0 334.504 4.714 50 30 EJEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(F)cc1)c1ccccc1 ZINC000100412468 563982597 /nfs/dbraw/zinc/98/25/97/563982597.db2.gz IENDWHCBHFUQEK-HIXSDJFHSA-N 0 0 343.357 4.642 50 30 EJEARN N#Cc1c(NC=CC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000110028842 563982742 /nfs/dbraw/zinc/98/27/42/563982742.db2.gz CNUYKEKWALNVCC-KTKRTIGZSA-N 0 0 342.851 4.960 50 30 EJEARN C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000014084056 563983171 /nfs/dbraw/zinc/98/31/71/563983171.db2.gz JRGFYPNXCDOODD-KRWDZBQOSA-N 0 0 343.401 4.717 50 30 EJEARN COc1cc(C2SCCS2)ccc1OCc1ccccc1C#N ZINC000014160462 563983344 /nfs/dbraw/zinc/98/33/44/563983344.db2.gz RGLWVJFAXCAEFN-UHFFFAOYSA-N 0 0 343.473 4.624 50 30 EJEARN Cc1ccc(N2C(=O)C[C@H](c3ccsc3)C3=C2CCCC3=O)cc1 ZINC000000107138 563986479 /nfs/dbraw/zinc/98/64/79/563986479.db2.gz BTVFGSNREGWABP-MRXNPFEDSA-N 0 0 337.444 4.584 50 30 EJEARN Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000000110932 563986664 /nfs/dbraw/zinc/98/66/64/563986664.db2.gz CXKHRSFXWABVFU-UHFFFAOYSA-N 0 0 343.386 4.615 50 30 EJEARN Cc1ccc2cc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 ZINC000000224151 563989007 /nfs/dbraw/zinc/98/90/07/563989007.db2.gz ZKWKHPXVYFLDCM-VXLYETTFSA-N 0 0 325.755 4.855 50 30 EJEARN N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000005170259 563999844 /nfs/dbraw/zinc/99/98/44/563999844.db2.gz STOFIPPGOFDIRA-UHFFFAOYSA-N 0 0 327.796 4.554 50 30 EJEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\C1CCCCC1 ZINC000005247571 564001426 /nfs/dbraw/zinc/00/14/26/564001426.db2.gz VQLBRHPMILDSMI-DARPEHSRSA-N 0 0 348.446 4.717 50 30 EJEARN Cc1cc(NN=Cc2ccccc2)c2cc(Br)ccc2n1 ZINC000005249677 564001477 /nfs/dbraw/zinc/00/14/77/564001477.db2.gz PQJWLPLWTMKZQZ-YBFXNURJSA-N 0 0 340.224 4.752 50 30 EJEARN Cc1ccc(NC=C2C(=O)CC(c3cccc(Cl)c3)CC2=O)cc1 ZINC000005484545 564004644 /nfs/dbraw/zinc/00/46/44/564004644.db2.gz HIYXYRTVKRNTNP-UHFFFAOYSA-N 0 0 339.822 4.660 50 30 EJEARN O=C1C=C(Nc2ccc(Nc3ccccc3)cc2)C(=O)c2ccccc21 ZINC000136576736 564004932 /nfs/dbraw/zinc/00/49/32/564004932.db2.gz KMZGENFGSPWFIT-UHFFFAOYSA-N 0 0 340.382 4.805 50 30 EJEARN CC(C)CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1 ZINC000005572988 564005777 /nfs/dbraw/zinc/00/57/77/564005777.db2.gz RQTVWPDUTSYNSV-AQTBWJFISA-N 0 0 337.444 4.896 50 30 EJEARN N#Cc1ccccc1COC(=O)Cc1coc2ccc3ccccc3c12 ZINC000005229684 564005865 /nfs/dbraw/zinc/00/58/65/564005865.db2.gz OLKHRVNNZMESCD-UHFFFAOYSA-N 0 0 341.366 4.744 50 30 EJEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC ZINC000007353062 564006827 /nfs/dbraw/zinc/00/68/27/564006827.db2.gz CIDHOYOMFOBEPT-DHZHZOJOSA-N 0 0 348.398 4.762 50 30 EJEARN CCCc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)cc1 ZINC000096766104 564013279 /nfs/dbraw/zinc/01/32/79/564013279.db2.gz GRLLLTVRGLYUKI-QBFSEMIESA-N 0 0 340.419 4.561 50 30 EJEARN CC1(C)CC(=O)C(Br)=C(Nc2ccccc2Cl)C1 ZINC000000494562 564017870 /nfs/dbraw/zinc/01/78/70/564017870.db2.gz XWDLFTPPPPREAJ-UHFFFAOYSA-N 0 0 328.637 4.748 50 30 EJEARN C[C@@H]1CN(C(=O)c2ccc(F)cc2)/C(=N/c2ccccc2Cl)S1 ZINC000000499383 564018409 /nfs/dbraw/zinc/01/84/09/564018409.db2.gz PWSSZXSRBCWDKO-PLYKVXEXSA-N 0 0 348.830 4.744 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1)OCO3 ZINC000018197449 564018714 /nfs/dbraw/zinc/01/87/14/564018714.db2.gz WXYPJDIKNIGWPW-FQEVSTJZSA-N 0 0 347.414 4.616 50 30 EJEARN N#C[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@H]21 ZINC000005694070 564019143 /nfs/dbraw/zinc/01/91/43/564019143.db2.gz LRFWRFJDCUXCJN-FPOVZHCZSA-N 0 0 345.471 4.673 50 30 EJEARN N#Cc1c2c(sc1NC=C1Sc3ccccc3C1=O)CCCC2 ZINC000102619094 564020412 /nfs/dbraw/zinc/02/04/12/564020412.db2.gz GIJJXRGWPZRGGY-YBEGLDIGSA-N 0 0 338.457 4.740 50 30 EJEARN COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2ccccc2)cc1 ZINC000000521997 564021084 /nfs/dbraw/zinc/02/10/84/564021084.db2.gz AABFRIRJIYNFDQ-HXUWFJFHSA-N 0 0 346.386 4.772 50 30 EJEARN CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCCC2)c1O ZINC000000554614 564023056 /nfs/dbraw/zinc/02/30/56/564023056.db2.gz JIGBPAYRIGWJSC-FYJGNVAPSA-N 0 0 344.842 4.795 50 30 EJEARN Cc1ccccc1[C@@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)C21 ZINC000103865191 564023217 /nfs/dbraw/zinc/02/32/17/564023217.db2.gz OBUZWNWRVVFPIW-LJQANCHMSA-N 0 0 341.410 4.871 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C(C)=O)cc2)cc1 ZINC000044843008 564027415 /nfs/dbraw/zinc/02/74/15/564027415.db2.gz BNSSYWAQXXAGES-BUHFOSPRSA-N 0 0 337.419 4.877 50 30 EJEARN CCOc1nc2c(c(-c3ccccc3)c1C#N)CCc1ccccc1-2 ZINC000001016649 564054049 /nfs/dbraw/zinc/05/40/49/564054049.db2.gz GCKDJXVBWKKMRG-UHFFFAOYSA-N 0 0 326.399 4.785 50 30 EJEARN N#C[C@H](C(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000082071981 564056067 /nfs/dbraw/zinc/05/60/67/564056067.db2.gz HSODHSICZRGEGT-CYBMUJFWSA-N 0 0 347.201 4.533 50 30 EJEARN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082077134 564056123 /nfs/dbraw/zinc/05/61/23/564056123.db2.gz RUHXGWLESZDFTQ-CJNGLKHVSA-N 0 0 342.405 4.672 50 30 EJEARN N#CCSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000005994466 564057489 /nfs/dbraw/zinc/05/74/89/564057489.db2.gz BWVAQVNTSDQODL-UHFFFAOYSA-N 0 0 340.433 4.690 50 30 EJEARN CC(C)Oc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000031663713 564057917 /nfs/dbraw/zinc/05/79/17/564057917.db2.gz WKNLMNIUUVJGAJ-UHFFFAOYSA-N 0 0 329.787 4.643 50 30 EJEARN N#Cc1ccc(-c2ccc(OCCOc3ccccc3F)cc2)cc1 ZINC000003286038 564059011 /nfs/dbraw/zinc/05/90/11/564059011.db2.gz KADWZNFGTAXUHX-UHFFFAOYSA-N 0 0 333.362 4.822 50 30 EJEARN C=CCn1c(=O)c2c([nH]c1=S)-c1ccccc1CC21CCCCC1 ZINC000001247464 564062694 /nfs/dbraw/zinc/06/26/94/564062694.db2.gz SGWZAAOFZXNGER-UHFFFAOYSA-N 0 0 338.476 4.517 50 30 EJEARN C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(-c2ccccc2)cs1 ZINC000083812547 564063509 /nfs/dbraw/zinc/06/35/09/564063509.db2.gz DRMRVDQJNFGLCH-FQEVSTJZSA-N 0 0 344.439 4.615 50 30 EJEARN CC(C)Nc1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393418 564064438 /nfs/dbraw/zinc/06/44/38/564064438.db2.gz VCTVOUGMNIDWFR-UHFFFAOYSA-N 0 0 349.825 4.551 50 30 EJEARN Cc1snc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N ZINC000001393858 564064616 /nfs/dbraw/zinc/06/46/16/564064616.db2.gz JGSHZDSMRVLNHQ-UHFFFAOYSA-N 0 0 343.260 4.605 50 30 EJEARN N#Cc1c2nc(-c3ccccc3F)nn2ccc1-c1ccc(Cl)cc1 ZINC000001402100 564064930 /nfs/dbraw/zinc/06/49/30/564064930.db2.gz XPGXGXOETIQLDL-UHFFFAOYSA-N 0 0 348.768 4.727 50 30 EJEARN COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1C#N ZINC000001404347 564064951 /nfs/dbraw/zinc/06/49/51/564064951.db2.gz MCHQNFDVMMHWQN-UHFFFAOYSA-N 0 0 337.322 4.515 50 30 EJEARN Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1C ZINC000001403817 564065068 /nfs/dbraw/zinc/06/50/68/564065068.db2.gz DFYNSFFSQKYQTH-UHFFFAOYSA-N 0 0 348.427 4.842 50 30 aggregator EJEARN Cc1ccc(/N=C2\CCCCCN2C(=O)NC2CCCCC2)cc1 ZINC000001409657 564065324 /nfs/dbraw/zinc/06/53/24/564065324.db2.gz BHQFZYLEOKMQSV-XUTLUUPISA-N 0 0 327.472 4.943 50 30 EJEARN C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)n[nH]c1=S ZINC000005831127 564070640 /nfs/dbraw/zinc/07/06/40/564070640.db2.gz QEDDHWCZOMHEJN-UHFFFAOYSA-N 0 0 348.475 4.867 50 30 EJEARN N#Cc1ccc(-c2cccnc2)nc1SCc1cccc(Cl)c1 ZINC000001476122 564073846 /nfs/dbraw/zinc/07/38/46/564073846.db2.gz QNRZLZDLZSSTJK-UHFFFAOYSA-N 0 0 337.835 4.961 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3ccccc3C2)c1 ZINC000000205661 564074531 /nfs/dbraw/zinc/07/45/31/564074531.db2.gz WZXSWQQAYCJHGL-UHFFFAOYSA-N 0 0 334.463 4.723 50 30 EJEARN C=CCc1cc(C=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000000454221 564074571 /nfs/dbraw/zinc/07/45/71/564074571.db2.gz IEUQVOJFMFUAJA-UHFFFAOYSA-N 0 0 330.811 4.859 50 30 EJEARN C#CCn1c2ccccc2nc1[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561757 564074605 /nfs/dbraw/zinc/07/46/05/564074605.db2.gz YDOBOTVUJWSKKL-MRXNPFEDSA-N 0 0 340.426 4.983 50 30 EJEARN C=C(C)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000002544559 564074995 /nfs/dbraw/zinc/07/49/95/564074995.db2.gz FJFPDJZLJSOELU-UHFFFAOYSA-N 0 0 342.855 4.651 50 30 EJEARN N#Cc1ccccc1CCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000012927289 564078549 /nfs/dbraw/zinc/07/85/49/564078549.db2.gz CEITWWWWWKIQMF-UHFFFAOYSA-N 0 0 340.426 4.720 50 30 EJEARN CC(=O)c1c(C)nc2sc(C#N)c(N)c2c1-c1ccc(Cl)cc1 ZINC000075278784 564081409 /nfs/dbraw/zinc/08/14/09/564081409.db2.gz GIWQGUNRCVJCHA-UHFFFAOYSA-N 0 0 341.823 4.582 50 30 EJEARN C=CCn1c(C)cc(-c2csc(NC(=O)C3CCCC3)n2)c1C ZINC000006288155 564083587 /nfs/dbraw/zinc/08/35/87/564083587.db2.gz WDEQAQHQJUEDEO-UHFFFAOYSA-N 0 0 329.469 4.543 50 30 EJEARN C=CCn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc21 ZINC000006996332 564087074 /nfs/dbraw/zinc/08/70/74/564087074.db2.gz YQEKZGKAGLOHON-UHFFFAOYSA-N 0 0 331.463 4.943 50 30 EJEARN C[C@]12CC[C@@H]3c4ccc(OCCCC#N)cc4CC[C@H]3[C@H]1CCC2=O ZINC000252428546 564089387 /nfs/dbraw/zinc/08/93/87/564089387.db2.gz LFBNAHBTJGQSAO-VMBXEPDQSA-N 0 0 337.463 4.794 50 30 EJEARN C[C@H](C#N)Oc1ccc(CNc2cccc(-c3nccs3)c2)cc1 ZINC000089368648 564089833 /nfs/dbraw/zinc/08/98/33/564089833.db2.gz NBUPXHLCXUHZEF-CQSZACIVSA-N 0 0 335.432 4.713 50 30 EJEARN Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(F)c(-c2cccs2)c1 ZINC000064925876 564097819 /nfs/dbraw/zinc/09/78/19/564097819.db2.gz KSUGDGHYQXDMGN-VQHVLOKHSA-N 0 0 340.423 4.801 50 30 EJEARN CCc1cc(C#N)c(NC(=O)c2cncc(-c3cccc(C)c3)c2)s1 ZINC000151354857 564103696 /nfs/dbraw/zinc/10/36/96/564103696.db2.gz YIMCJJRCAYIBRC-UHFFFAOYSA-N 0 0 347.443 4.805 50 30 EJEARN Cc1ccc(C)c(SCC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000007062686 564104513 /nfs/dbraw/zinc/10/45/13/564104513.db2.gz RSOHKSQYBKLCHN-UHFFFAOYSA-N 0 0 330.840 4.559 50 30 EJEARN CCCCn1c2ccccc2nc1/N=C/c1ccc(OC)c(OC)c1 ZINC000007491268 564109103 /nfs/dbraw/zinc/10/91/03/564109103.db2.gz HRQXOBQFUWPTIN-KGENOOAVSA-N 0 0 337.423 4.604 50 30 EJEARN C[C@@H](Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000089913663 564115211 /nfs/dbraw/zinc/11/52/11/564115211.db2.gz NKEBYUZFSYJNED-GFCCVEGCSA-N 0 0 338.798 4.629 50 30 EJEARN N#Cc1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1 ZINC000017156294 564116552 /nfs/dbraw/zinc/11/65/52/564116552.db2.gz GJDMZQGNVZEBRQ-UHFFFAOYSA-N 0 0 342.171 4.752 50 30 EJEARN CCN(CC)c1ccc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC000252460095 564118650 /nfs/dbraw/zinc/11/86/50/564118650.db2.gz BOJNTKDIXKWTAY-UHFFFAOYSA-N 0 0 347.802 4.551 50 30 EJEARN COc1cc(N=Cc2ccc(C)cc2)ccc1NC(=O)c1ccco1 ZINC000252461026 564118675 /nfs/dbraw/zinc/11/86/75/564118675.db2.gz JZMYUBCNDCUUCF-UHFFFAOYSA-N 0 0 334.375 4.600 50 30 EJEARN CCN(CC)c1ccc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000252461973 564118730 /nfs/dbraw/zinc/11/87/30/564118730.db2.gz OTXWBHWLPSMVRY-UHFFFAOYSA-N 0 0 331.803 4.845 50 30 EJEARN Fc1cccc(Cl)c1CON=Cc1ccccc1OC(F)F ZINC000252462156 564118749 /nfs/dbraw/zinc/11/87/49/564118749.db2.gz QGQZDGIMQUIJFQ-UHFFFAOYSA-N 0 0 329.705 4.631 50 30 EJEARN CC(CCc1oc2ccc([N+](=O)[O-])cc2c1-c1ccc(C)o1)=NO ZINC000252591643 564120937 /nfs/dbraw/zinc/12/09/37/564120937.db2.gz BBSJIKZVBZUISQ-UHFFFAOYSA-N 0 0 328.324 4.692 50 30 EJEARN O=C(c1ccc(N=Cc2cccc(Cl)c2)cc1)N1CCCCC1 ZINC000252605324 564121253 /nfs/dbraw/zinc/12/12/53/564121253.db2.gz GIIAGJSAPZFNIC-UHFFFAOYSA-N 0 0 326.827 4.717 50 30 EJEARN N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000007734780 564122403 /nfs/dbraw/zinc/12/24/03/564122403.db2.gz SVOMFOSCNDPVOC-FQEVSTJZSA-N 0 0 346.817 4.731 50 30 EJEARN C=CCOc1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3)n2)cc1OC ZINC000037553505 564122558 /nfs/dbraw/zinc/12/25/58/564122558.db2.gz DOHXGRZZRCJXHP-IRXDYDNUSA-N 0 0 348.402 4.581 50 30 EJEARN COc1c(Cl)cc(Cl)cc1C=NC1=NN(c2ccccc2)CC1 ZINC000252623675 564122978 /nfs/dbraw/zinc/12/29/78/564122978.db2.gz OWXZUTOEMOGJFC-UHFFFAOYSA-N 0 0 348.233 4.645 50 30 EJEARN COc1ccc(N=C2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000252624519 564123199 /nfs/dbraw/zinc/12/31/99/564123199.db2.gz PPNUCMCPTQTIFC-UHFFFAOYSA-N 0 0 343.814 4.707 50 30 EJEARN C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790856 564123399 /nfs/dbraw/zinc/12/33/99/564123399.db2.gz QGYMVZWBJYOZJN-UHFFFAOYSA-N 0 0 330.844 4.606 50 30 EJEARN CC(=NOC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 ZINC000252637460 564124607 /nfs/dbraw/zinc/12/46/07/564124607.db2.gz XTOAXNCVFKLQHT-UHFFFAOYSA-N 0 0 325.408 4.672 50 30 EJEARN C=CCn1c(SCCCC)nc2sc3c(c2c1=O)C[C@H](C)CC3 ZINC000002229765 564124613 /nfs/dbraw/zinc/12/46/13/564124613.db2.gz HGXPICYSSVRZAZ-GFCCVEGCSA-N 0 0 348.537 4.661 50 30 EJEARN CCCCCn1c2ccccc2nc1/N=C/c1cc(OC)ccc1O ZINC000002270228 564125406 /nfs/dbraw/zinc/12/54/06/564125406.db2.gz CWRGNCZOEYPAFG-KGENOOAVSA-N 0 0 337.423 4.691 50 30 EJEARN Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)cc1 ZINC000000082875 564132804 /nfs/dbraw/zinc/13/28/04/564132804.db2.gz QUPBVQOXEATVJC-UHFFFAOYSA-N 0 0 336.391 4.987 50 30 EJEARN N#Cc1cc(Sc2ccccn2)c(Sc2ccccn2)cc1C#N ZINC000000162579 564132960 /nfs/dbraw/zinc/13/29/60/564132960.db2.gz UUGSCYUTQYOBLN-UHFFFAOYSA-N 0 0 346.440 4.522 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 ZINC000000183196 564132983 /nfs/dbraw/zinc/13/29/83/564132983.db2.gz WLYGXKYDBOJKSF-UHFFFAOYSA-N 0 0 332.451 4.975 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(F)cc3)sc2C1 ZINC000000259143 564133067 /nfs/dbraw/zinc/13/30/67/564133067.db2.gz VDSSECVKYZWMNM-LHXVZLOVSA-N 0 0 340.423 4.536 50 30 EJEARN N#Cc1c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)sc2c1CCCCCC2 ZINC000000433101 564133263 /nfs/dbraw/zinc/13/32/63/564133263.db2.gz HZTVMUPFFFOFAU-IPYPFGDCSA-N 0 0 328.481 4.653 50 30 EJEARN COC(=O)c1ccc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000000521561 564133373 /nfs/dbraw/zinc/13/33/73/564133373.db2.gz KHTVCLRKCIBQGF-UHFFFAOYSA-N 0 0 345.354 4.929 50 30 EJEARN CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccccc1C#N ZINC000065499298 564134331 /nfs/dbraw/zinc/13/43/31/564134331.db2.gz NBVZDLLNKQXQPE-SFHVURJKSA-N 0 0 331.419 4.686 50 30 EJEARN Cc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000012954387 564135736 /nfs/dbraw/zinc/13/57/36/564135736.db2.gz SQTDGQOHRFSBJZ-JYRVWZFOSA-N 0 0 332.355 4.703 50 30 EJEARN Cc1noc(C)c1CCC(=O)Nc1cc(Cl)c(Cl)cc1O ZINC000328592193 564136749 /nfs/dbraw/zinc/13/67/49/564136749.db2.gz KZAUIQFJPFOITE-UHFFFAOYSA-N 0 0 329.183 4.525 50 30 EJEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCc1cccs1 ZINC000096346294 564146851 /nfs/dbraw/zinc/14/68/51/564146851.db2.gz IUVGKBHFCLEIHK-HOTGVXAUSA-N 0 0 335.432 4.533 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182486 564150596 /nfs/dbraw/zinc/15/05/96/564150596.db2.gz ANEJKYXPANLLKX-FBHDLOMBSA-N 0 0 345.398 4.749 50 30 EJEARN N#Cc1c(NC(=O)Nc2ccccc2Cl)sc2c1CCCC2 ZINC000028225954 564150750 /nfs/dbraw/zinc/15/07/50/564150750.db2.gz ZVOGKEUZLRUGNM-UHFFFAOYSA-N 0 0 331.828 4.796 50 30 EJEARN N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000002765830 564152504 /nfs/dbraw/zinc/15/25/04/564152504.db2.gz RMONXVYIYWHKFM-CVEARBPZSA-N 0 0 336.460 4.631 50 30 EJEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C)oc3C)sc2C1 ZINC000002768895 564152509 /nfs/dbraw/zinc/15/25/09/564152509.db2.gz ISAUBRJWAQHJRJ-CYBMUJFWSA-N 0 0 342.464 4.987 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 ZINC000003193886 564155850 /nfs/dbraw/zinc/15/58/50/564155850.db2.gz LGMMTUGTGUFYIW-UHFFFAOYSA-N 0 0 349.440 4.540 50 30 EJEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H]1CO1 ZINC000003227431 564156135 /nfs/dbraw/zinc/15/61/35/564156135.db2.gz CAEYOAHHWYBZDZ-KRWDZBQOSA-N 0 0 344.439 4.778 50 30 EJEARN N#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000003332419 564157413 /nfs/dbraw/zinc/15/74/13/564157413.db2.gz UCLGJLSUZSJCPB-UHFFFAOYSA-N 0 0 339.609 4.700 50 30 EJEARN N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCCC[C@@H]21 ZINC000003345014 564157522 /nfs/dbraw/zinc/15/75/22/564157522.db2.gz LRFWRFJDCUXCJN-TZIWHRDSSA-N 0 0 345.471 4.673 50 30 EJEARN C[C@@H](c1nc2ccccc2s1)N(C)Cc1cn2ccccc2c1C#N ZINC000058434125 564159131 /nfs/dbraw/zinc/15/91/31/564159131.db2.gz QCHFTTPXPYRVJD-AWEZNQCLSA-N 0 0 346.459 4.614 50 30 EJEARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)cc1 ZINC000031335552 564159334 /nfs/dbraw/zinc/15/93/34/564159334.db2.gz GVSHHTVLNZHXGT-NSHDSACASA-N 0 0 333.218 4.698 50 30 EJEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004154795 564160960 /nfs/dbraw/zinc/16/09/60/564160960.db2.gz AALRMFYQWJBGLW-UHFFFAOYSA-N 0 0 343.839 4.918 50 30 EJEARN CSc1nc(-c2ccccc2)c(C#N)c(N(C)C2CCCCC2)n1 ZINC000007995284 564162028 /nfs/dbraw/zinc/16/20/28/564162028.db2.gz LHMANTGIRGOFNW-UHFFFAOYSA-N 0 0 338.480 4.506 50 30 EJEARN N#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1 ZINC000008036706 564162318 /nfs/dbraw/zinc/16/23/18/564162318.db2.gz UNDQRZWVHJZNAL-UHFFFAOYSA-N 0 0 346.455 4.505 50 30 EJEARN Cc1ccc(CN2CCN(N=Cc3ccc(C(C)C)cc3)CC2)c(C)c1 ZINC000245238014 564168813 /nfs/dbraw/zinc/16/88/13/564168813.db2.gz CLQQIGYZOREXAP-UHFFFAOYSA-N 0 0 349.522 4.579 50 30 EJEARN N#Cc1ccc(-c2nnc(CN(c3ccccc3)C3CCCC3)o2)cc1 ZINC000173362493 564170311 /nfs/dbraw/zinc/17/03/11/564170311.db2.gz JYQIJRUZAQWDIB-UHFFFAOYSA-N 0 0 344.418 4.557 50 30 EJEARN N#C[C@@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 ZINC000041502644 564173965 /nfs/dbraw/zinc/17/39/65/564173965.db2.gz MEJYTQLRVWTAQJ-INIZCTEOSA-N 0 0 343.411 4.577 50 30 EJEARN Cc1ccnc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000004710104 210256618 /nfs/dbraw/zinc/25/66/18/210256618.db2.gz WMARSVOEYFFWRR-UHFFFAOYSA-N 0 0 345.427 4.665 50 30 EJEARN O=C(C=CNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000004706828 210254507 /nfs/dbraw/zinc/25/45/07/210254507.db2.gz BXDYANJKMKVIFM-SREVYHEPSA-N 0 0 337.162 4.710 50 30 EJEARN Cc1ccc(F)c(/N=C2\NN=C(c3cc4ccccc4o3)CS2)c1 ZINC000063311579 214753816 /nfs/dbraw/zinc/75/38/16/214753816.db2.gz FOCODAGTPCCKBQ-UHFFFAOYSA-N 0 0 339.395 4.609 50 30 EJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccccc3)sc2C1 ZINC000097989767 219065479 /nfs/dbraw/zinc/06/54/79/219065479.db2.gz SILUSGJNEZFCDK-FPAJZGIOSA-N 0 0 336.460 4.787 50 30 EJEARN CCCNc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F ZINC000098002608 219067527 /nfs/dbraw/zinc/06/75/27/219067527.db2.gz MHASMFSWZBTAOS-UHFFFAOYSA-N 0 0 340.239 4.568 50 30 EJEARN COc1cccc2cc(C(=O)C=Cc3cc4ccccc4[nH]c3=O)oc21 ZINC000098054553 219074267 /nfs/dbraw/zinc/07/42/67/219074267.db2.gz ZKQCPBWQDXXZHO-KTKRTIGZSA-N 0 0 345.354 4.591 50 30 EJEARN CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000004600139 210230955 /nfs/dbraw/zinc/23/09/55/210230955.db2.gz LFBNSGULXRERCQ-UHFFFAOYSA-N 0 0 329.783 4.610 50 30 EJEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(Cl)c1Cl ZINC000004578421 210224566 /nfs/dbraw/zinc/22/45/66/210224566.db2.gz VTWYHRKKVGPOEJ-UKTHLTGXSA-N 0 0 349.242 4.885 50 30 EJEARN CC[C@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1 ZINC000098086568 219081064 /nfs/dbraw/zinc/08/10/64/219081064.db2.gz ZEQNPDLQVGVNHR-CQSZACIVSA-N 0 0 335.382 4.958 50 30 EJEARN CSc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000004517619 210210775 /nfs/dbraw/zinc/21/07/75/210210775.db2.gz VYASCRIOZLMINV-LLVKDONJSA-N 0 0 342.489 4.719 50 30 EJEARN CSc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000004517499 210210898 /nfs/dbraw/zinc/21/08/98/210210898.db2.gz NVGQTQXLUSCYRO-LLVKDONJSA-N 0 0 342.489 4.719 50 30 EJEARN 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CCOc1ccc(/N=C\c2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000000359557 209550004 /nfs/dbraw/zinc/55/00/04/209550004.db2.gz OOQWGUVWAYDLPO-NDENLUEZSA-N 0 0 333.815 4.897 50 30 EJEARN N#Cc1cccc(/N=C/c2ccc(/C=N/c3cccc(C#N)c3)cc2)c1 ZINC000000297049 209523139 /nfs/dbraw/zinc/52/31/39/209523139.db2.gz VWUTWFMHWUNRBM-RYQLWAFASA-N 0 0 334.382 4.931 50 30 EJEARN Cc1ccc(Nc2ncc(C#N)c(Nc3ccccc3)c2C#N)cc1 ZINC000000287045 209518936 /nfs/dbraw/zinc/51/89/36/209518936.db2.gz HDAUVGARIUTHJF-UHFFFAOYSA-N 0 0 325.375 4.621 50 30 EJEARN Cc1ccc(C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000000281654 209517499 /nfs/dbraw/zinc/51/74/99/209517499.db2.gz DVQQNXLZVMBTLS-UHFFFAOYSA-N 0 0 329.355 4.878 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(F)cc3)sc2C1 ZINC000000259146 209506921 /nfs/dbraw/zinc/50/69/21/209506921.db2.gz VDSSECVKYZWMNM-BIPYJSMBSA-N 0 0 340.423 4.536 50 30 EJEARN O=C(O/N=C1\CCCc2oc3c(c21)CCCC3)c1ccc(Cl)cc1 ZINC000000211788 209486821 /nfs/dbraw/zinc/48/68/21/209486821.db2.gz JHBJWKHTVYBFBZ-RCCKNPSSSA-N 0 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O=C1c2ccccc2OC/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006559796 201685944 /nfs/dbraw/zinc/68/59/44/201685944.db2.gz LZZFUFVCJUYSCQ-SDNWHVSQSA-N 0 0 347.326 4.514 50 30 EJEARN CC(C)Cc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020789846 212171549 /nfs/dbraw/zinc/17/15/49/212171549.db2.gz LOJGCPLJPKHWHU-UHFFFAOYSA-N 0 0 349.478 4.615 50 30 EJEARN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCCc1ccccc1 ZINC000020446610 212129945 /nfs/dbraw/zinc/12/99/45/212129945.db2.gz BWXYLFZMIFPDER-DHZHZOJOSA-N 0 0 333.366 4.510 50 30 EJEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1O ZINC000019809364 212071117 /nfs/dbraw/zinc/07/11/17/212071117.db2.gz UEAHDUBSCAKXQU-DHDCSXOGSA-N 0 0 332.808 4.774 50 30 EJEARN N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)CCCCC2 ZINC000019797670 212069592 /nfs/dbraw/zinc/06/95/92/212069592.db2.gz RVUCWKOWLSAUJI-UHFFFAOYSA-N 0 0 332.234 4.778 50 30 EJEARN CC[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1 ZINC000098086567 203983729 /nfs/dbraw/zinc/98/37/29/203983729.db2.gz ZEQNPDLQVGVNHR-AWEZNQCLSA-N 0 0 335.382 4.958 50 30 EJEARN N#Cc1ccsc1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000042381178 204092390 /nfs/dbraw/zinc/09/23/90/204092390.db2.gz VOQVIPFBSJIEPD-UHFFFAOYSA-N 0 0 333.416 4.531 50 30 EJEARN CCc1nc(SCc2ccc(OC)cc2)c(C#N)c2c1CCCC2 ZINC000019074854 211998022 /nfs/dbraw/zinc/99/80/22/211998022.db2.gz YLQUZLBTZRZQNS-UHFFFAOYSA-N 0 0 338.476 4.695 50 30 EJEARN COc1ccc(N=C2NC(=O)SC2=CC=Cc2ccccc2)cc1 ZINC000016711894 211931461 /nfs/dbraw/zinc/93/14/61/211931461.db2.gz QVNREFYRJVZRMZ-WIXUPIFPSA-N 0 0 336.416 4.983 50 30 EJEARN CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccccc2)n1 ZINC000015831980 211857608 /nfs/dbraw/zinc/85/76/08/211857608.db2.gz VBKWJENHCMEXBH-CQSZACIVSA-N 0 0 346.459 4.910 50 30 EJEARN C=CCN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000014250064 211725134 /nfs/dbraw/zinc/72/51/34/211725134.db2.gz AJLHRHBAAWOXOT-UHFFFAOYSA-N 0 0 328.824 4.783 50 30 EJEARN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000100662195 206254582 /nfs/dbraw/zinc/25/45/82/206254582.db2.gz 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/nfs/dbraw/zinc/28/14/33/211281433.db2.gz UZGWEDRFRBCMPH-GDNBJRDFSA-N 0 0 328.824 4.540 50 30 EJEARN C=CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(CC)cc1 ZINC000011718998 211240530 /nfs/dbraw/zinc/24/05/30/211240530.db2.gz GKPVVIWUUBFHJP-HSZRJFAPSA-N 0 0 344.458 4.781 50 30 EJEARN N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)c(F)c1 ZINC000011536663 211221384 /nfs/dbraw/zinc/22/13/84/211221384.db2.gz CCPDEPPWCHUQDZ-UHFFFAOYSA-N 0 0 345.786 4.693 50 30 EJEARN COc1ccc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)ccc2c1 ZINC000009449151 211084152 /nfs/dbraw/zinc/08/41/52/211084152.db2.gz ZEYQUFCDPUZNTB-UHFFFAOYSA-N 0 0 336.778 4.626 50 30 EJEARN Cc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1 ZINC000009419476 211080430 /nfs/dbraw/zinc/08/04/30/211080430.db2.gz QKUKZDOIJAUWHP-WQRHYEAKSA-N 0 0 336.387 4.563 50 30 EJEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1Cl ZINC000095350852 218285076 /nfs/dbraw/zinc/28/50/76/218285076.db2.gz BMPITWBWQYPBDM-GOSISDBHSA-N 0 0 347.805 4.643 50 30 EJEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 ZINC000009088406 211038407 /nfs/dbraw/zinc/03/84/07/211038407.db2.gz GZBPDTGPLLOQMH-BIBXISHDSA-N 0 0 340.373 4.797 50 30 EJEARN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000008782191 211006926 /nfs/dbraw/zinc/00/69/26/211006926.db2.gz DEMAAQLFLVAYPH-MRXNPFEDSA-N 0 0 341.842 4.572 50 30 EJEARN O=C(Nc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 ZINC000008708643 210985774 /nfs/dbraw/zinc/98/57/74/210985774.db2.gz YWQWBAAEXBUHKW-UHFFFAOYSA-N 0 0 331.802 4.992 50 30 EJEARN N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000006638119 210667398 /nfs/dbraw/zinc/66/73/98/210667398.db2.gz HLIIKBQSXFTBGU-UHFFFAOYSA-N 0 0 326.399 4.719 50 30 EJEARN COc1ccc(/C=C2/CCC/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000012340162 207106750 /nfs/dbraw/zinc/10/67/50/207106750.db2.gz ZYMUNTZVOUBQAI-DJTQBEGKSA-N 0 0 334.415 4.924 50 30 EJEARN C=CCNc1nc(SCc2ccc(C)cc2)nc2c1CCCC2 ZINC000005541241 210484744 /nfs/dbraw/zinc/48/47/44/210484744.db2.gz 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210308567 /nfs/dbraw/zinc/30/85/67/210308567.db2.gz FTVOVJPHZHHIKH-UHFFFAOYSA-N 0 0 328.346 4.521 50 30 EJEARN N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 ZINC000004869846 210307900 /nfs/dbraw/zinc/30/79/00/210307900.db2.gz OVSZQGDQNHNWJK-UHFFFAOYSA-N 0 0 342.679 4.622 50 30 EJEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004836751 210292787 /nfs/dbraw/zinc/29/27/87/210292787.db2.gz YRGMGQVRSFYKGW-GQCTYLIASA-N 0 0 326.436 4.503 50 30 EJEARN COc1ccc(C(=O)C=C(C)Nc2ccccc2C(F)(F)F)cc1 ZINC000004817414 210286686 /nfs/dbraw/zinc/28/66/86/210286686.db2.gz RPAWDESNKXGSTF-VAWYXSNFSA-N 0 0 335.325 4.913 50 30 EJEARN CSc1ccc(/C=C\c2c(C#N)c(=O)oc3ccc(C)cc32)cc1 ZINC000097466817 219026486 /nfs/dbraw/zinc/02/64/86/219026486.db2.gz JAMFHWMYUYASFO-TWGQIWQCSA-N 0 0 333.412 4.865 50 30 EJEARN CCNc1ccccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1=O ZINC000097474760 219028920 /nfs/dbraw/zinc/02/89/20/219028920.db2.gz QTCCEIVAUMVWGR-NTMALXAHSA-N 0 0 348.229 4.682 50 30 EJEARN C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C ZINC000017070662 258016713 /nfs/dbraw/zinc/01/67/13/258016713.db2.gz FWVSNRDKVPLHIP-UHFFFAOYSA-N 0 0 335.476 4.656 50 30 EJEARN CC(C)CCOc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000006625608 258052434 /nfs/dbraw/zinc/05/24/34/258052434.db2.gz LNADQAKNVXNADH-FMIVXFBMSA-N 0 0 339.391 4.916 50 30 EJEARN Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)n2C)cc1 ZINC000007131219 258052889 /nfs/dbraw/zinc/05/28/89/258052889.db2.gz GEGHVBXVAJQHPF-GOSISDBHSA-N 0 0 333.460 4.623 50 30 EJEARN CCOc1ccc([C@H](C)NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000013496740 258056235 /nfs/dbraw/zinc/05/62/35/258056235.db2.gz JLIOYJUFXPJOPJ-ZDUSSCGKSA-N 0 0 348.899 4.875 50 30 EJEARN CON=C1C[C@@H](C)Cc2nnc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000245239953 258073060 /nfs/dbraw/zinc/07/30/60/258073060.db2.gz ICICCNLECZQTRT-HNNXBMFYSA-N 0 0 343.430 4.743 50 30 EJEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2C=O ZINC000257346567 258073673 /nfs/dbraw/zinc/07/36/73/258073673.db2.gz SHBDEYQGGFCLQI-PZAQWVNCSA-N 0 0 344.495 4.507 50 30 EJEARN CC(=O)[C@H](/C=N/OCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000005283739 518211534 /nfs/dbraw/zinc/21/15/34/518211534.db2.gz HMWXUEXAYBJVBM-CBVHTYNASA-N 0 0 335.325 4.581 50 30 EJEARN CC(=O)c1sc(N=NC(C)c2ccc(Cl)c(Cl)c2)nc1C ZINC000004697120 518496350 /nfs/dbraw/zinc/49/63/50/518496350.db2.gz YKCOEOKQTZCLOV-CNHKJKLMSA-N 0 0 342.251 4.797 50 30 EJEARN C=C(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)c1ccc(C)cc1 ZINC000006300720 518585371 /nfs/dbraw/zinc/58/53/71/518585371.db2.gz WNLJAJJUYGFZIA-XLNTUCKNSA-N 0 0 330.468 4.589 50 30 EJEARN C=C(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1ccc(C)cc1 ZINC000006300584 518585498 /nfs/dbraw/zinc/58/54/98/518585498.db2.gz WNLJAJJUYGFZIA-HUYLIWGRSA-N 0 0 330.468 4.589 50 30 EJEARN C=C(C)Cn1c(C(=O)NCc2cccc(C)c2)cc2sc(C)cc21 ZINC000037542060 518638209 /nfs/dbraw/zinc/63/82/09/518638209.db2.gz YVAKLIUCMKXTBT-UHFFFAOYSA-N 0 0 338.476 4.826 50 30 EJEARN C=CCSc1ccccc1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040104104 519077110 /nfs/dbraw/zinc/07/71/10/519077110.db2.gz YJPFBBPFCNXSTJ-UHFFFAOYSA-N 0 0 330.428 4.768 50 30 EJEARN C=CCc1ccc(OC(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000001741585 519133991 /nfs/dbraw/zinc/13/39/91/519133991.db2.gz ZDGVWUZGLNBFPI-UHFFFAOYSA-N 0 0 331.799 4.996 50 30 EJEARN C=CCc1ccc(OCCCCn2cnc3ccccc32)c(OC)c1 ZINC000005049126 519136359 /nfs/dbraw/zinc/13/63/59/519136359.db2.gz ZGTQPUHZMOTSKE-UHFFFAOYSA-N 0 0 336.435 4.633 50 30 EJEARN C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 ZINC000016755524 519238724 /nfs/dbraw/zinc/23/87/24/519238724.db2.gz BXLJXGVYWOYWPE-UHFFFAOYSA-N 0 0 325.437 4.633 50 30 EJEARN C=CCn1c(Sc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1 ZINC000003339818 519259912 /nfs/dbraw/zinc/25/99/12/519259912.db2.gz FJBNGIGKFSLVJL-UHFFFAOYSA-N 0 0 344.440 4.571 50 30 EJEARN CCCCCCOc1ccc(CN=Nc2nccs2)cc1OC ZINC000031854328 520103251 /nfs/dbraw/zinc/10/32/51/520103251.db2.gz AHBSCLYFETXZJI-UYRXBGFRSA-N 0 0 333.457 4.557 50 30 EJEARN CCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 ZINC000003017027 520260958 /nfs/dbraw/zinc/26/09/58/520260958.db2.gz DOLFOBDWABTIOQ-OBGWFSINSA-N 0 0 335.403 4.600 50 30 EJEARN CCOc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC ZINC000016407344 520594047 /nfs/dbraw/zinc/59/40/47/520594047.db2.gz IOLZJYUGNGCEGC-CMDGGOBGSA-N 0 0 346.810 4.652 50 30 EJEARN CCOc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)ccc1O ZINC000069419517 520620779 /nfs/dbraw/zinc/62/07/79/520620779.db2.gz ITELXAXQWSYUED-CSKARUKUSA-N 0 0 345.464 4.749 50 30 EJEARN CCOc1cc2c(cc1/C=C/C(=O)c1ccc(F)c(F)c1)O[C@@H](C)C2 ZINC000015349061 520789791 /nfs/dbraw/zinc/78/97/91/520789791.db2.gz FTJFXCOINJDTEE-PZBABLGHSA-N 0 0 344.357 4.583 50 30 EJEARN CCOc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000024567220 520847470 /nfs/dbraw/zinc/84/74/70/520847470.db2.gz BDKUHNTYVCVXEF-PKNBQFBNSA-N 0 0 335.403 4.780 50 30 EJEARN CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C)cc2)cc1 ZINC000005597178 520871214 /nfs/dbraw/zinc/87/12/14/520871214.db2.gz MCPXTXLQNYVDOL-LTGZKZEYSA-N 0 0 325.408 4.755 50 30 EJEARN CCOc1ccccc1NC1=CC(=O)C[C@@H](c2ccc(OC)cc2)C1 ZINC000004179612 521551817 /nfs/dbraw/zinc/55/18/17/521551817.db2.gz UOGTUBWMGWCDSO-INIZCTEOSA-N 0 0 337.419 4.536 50 30 EJEARN CCc1ccccc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000003299197 521914427 /nfs/dbraw/zinc/91/44/27/521914427.db2.gz JUVWASPACKOWNF-KGENOOAVSA-N 0 0 335.447 4.508 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)ccc1OC(F)F ZINC000024717893 521937196 /nfs/dbraw/zinc/93/71/96/521937196.db2.gz KBDNKFADTZXIDX-VMPITWQZSA-N 0 0 348.345 4.510 50 30 EJEARN COC(=O)c1sccc1N=NC(C)c1cc2ccccc2s1 ZINC000003909109 522440879 /nfs/dbraw/zinc/44/08/79/522440879.db2.gz GYHOCGPQXWNSPX-YVLHZVERSA-N 0 0 330.434 4.586 50 30 EJEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2ccccc2c1 ZINC000006549284 522816420 /nfs/dbraw/zinc/81/64/20/522816420.db2.gz QUULHXDVNHVANC-ZHACJKMWSA-N 0 0 348.398 4.762 50 30 EJEARN COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000033376734 523543600 /nfs/dbraw/zinc/54/36/00/523543600.db2.gz FVRSBTGWPRLARO-BENRWUELSA-N 0 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/nfs/dbraw/zinc/93/41/58/526934158.db2.gz STHOOYABVADJOH-UFWORHAWSA-N 0 0 349.246 4.958 50 30 EJEARN Clc1cccc(N=NCc2cccc(OCc3ccccc3)c2)n1 ZINC000004616527 526979558 /nfs/dbraw/zinc/97/95/58/526979558.db2.gz HVXOMLSAIGRDEW-FYJGNVAPSA-N 0 0 337.810 4.760 50 30 EJEARN N#CCc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000092412 563223202 /nfs/dbraw/zinc/22/32/02/563223202.db2.gz VDVSEHUPSMOEFF-UHFFFAOYSA-N 0 0 327.792 4.840 50 30 EJEARN S=C(N/N=C/c1cccc2ccccc12)Nc1cccc(Cl)c1 ZINC000000097503 563224601 /nfs/dbraw/zinc/22/46/01/563224601.db2.gz MNXLAXFHOLZSDT-UDWIEESQSA-N 0 0 339.851 4.814 50 30 EJEARN N#Cc1c(/N=C/N2CCCCC2)nc2c(c1-c1ccccc1)CCCC2 ZINC000000156928 563248083 /nfs/dbraw/zinc/24/80/83/563248083.db2.gz NMVZXNLPBPDIKC-LFVJCYFKSA-N 0 0 344.462 4.645 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(F)c1 ZINC000000331910 563284943 /nfs/dbraw/zinc/28/49/43/563284943.db2.gz LVKVKTCVRLHHBP-UHFFFAOYSA-N 0 0 345.373 4.696 50 30 EJEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001296470 563382745 /nfs/dbraw/zinc/38/27/45/563382745.db2.gz MHTFXBSJIFVYSG-OAQYLSRUSA-N 0 0 348.446 4.917 50 30 EJEARN CCCCCCCCNC(=O)c1cccnc1Nc1ccccc1 ZINC000001762041 563409867 /nfs/dbraw/zinc/40/98/67/563409867.db2.gz CZOLXLXMMORWTE-UHFFFAOYSA-N 0 0 325.456 4.916 50 30 EJEARN CC(C)(C)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1 ZINC000001915101 563416207 /nfs/dbraw/zinc/41/62/07/563416207.db2.gz BTXBEHKAPHJRLX-UHFFFAOYSA-N 0 0 349.386 4.785 50 30 EJEARN COc1cc(/N=C/C=C/c2ccccc2)ccc1NC(=O)c1ccco1 ZINC000002053732 563420174 /nfs/dbraw/zinc/42/01/74/563420174.db2.gz LVVINWDEQSMEHS-LQUQISKOSA-N 0 0 346.386 4.956 50 30 EJEARN C(=CN=Nc1ncnc2sc3c(c21)CCCC3)Cc1ccccc1 ZINC000002247326 563428095 /nfs/dbraw/zinc/42/80/95/563428095.db2.gz DMWRUJGHCMRKEV-OGMQXUJQSA-N 0 0 334.448 4.681 50 30 EJEARN CCCCCCCCc1nnc(NC(=O)c2ccccc2OC)s1 ZINC000002909850 563463129 /nfs/dbraw/zinc/46/31/29/563463129.db2.gz PPGXVEHLSHRNIJ-UHFFFAOYSA-N 0 0 347.484 4.702 50 30 EJEARN CCOC(=O)C(CC)(CC)C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000002972889 563465181 /nfs/dbraw/zinc/46/51/81/563465181.db2.gz ZJLHWWNVURQEKK-CSKARUKUSA-N 0 0 343.250 4.945 50 30 EJEARN C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21 ZINC000003471320 563485367 /nfs/dbraw/zinc/48/53/67/563485367.db2.gz HRRBVDOQOKQBQJ-CQSZACIVSA-N 0 0 345.442 4.871 50 30 EJEARN Cc1ccccc1/C=C1\S/C(=N/c2ccccc2Cl)NC1=O ZINC000004471585 563502813 /nfs/dbraw/zinc/50/28/13/563502813.db2.gz GCGPFXLXWXEZCE-GDNBJRDFSA-N 0 0 328.824 4.540 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000004913044 563515624 /nfs/dbraw/zinc/51/56/24/563515624.db2.gz ZBEZPWRZJAIHQB-SFHVURJKSA-N 0 0 345.442 4.600 50 30 EJEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000005034155 563519398 /nfs/dbraw/zinc/51/93/98/563519398.db2.gz MYPFLRVBQBEEGH-KGENOOAVSA-N 0 0 348.277 4.540 50 30 EJEARN CC1(C)CC(=O)C(Br)=C(Nc2ccc(Cl)cc2)C1 ZINC000005190226 563522442 /nfs/dbraw/zinc/52/24/42/563522442.db2.gz FUZLTBFYYVMXAZ-UHFFFAOYSA-N 0 0 328.637 4.748 50 30 EJEARN C/C(=C\C=C(Cl)Cl)CSC(=NC#N)Nc1ccccc1 ZINC000005789102 563550442 /nfs/dbraw/zinc/55/04/42/563550442.db2.gz SSODMVZCQREEPH-YRNVUSSQSA-N 0 0 326.252 4.743 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002811222 563616973 /nfs/dbraw/zinc/61/69/73/563616973.db2.gz LZGXRBYBUUBPTP-FRKPEAEDSA-N 0 0 340.122 4.560 50 30 EJEARN FC(F)(F)c1cnc(N=NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000008378702 563628265 /nfs/dbraw/zinc/62/82/65/563628265.db2.gz ZQMJYWIDFWNNDG-CGOBSMCZSA-N 0 0 334.128 4.853 50 30 EJEARN CCCCCCCCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008399456 563629255 /nfs/dbraw/zinc/62/92/55/563629255.db2.gz CLNFSWZSLUBWIN-UHFFFAOYSA-N 0 0 334.460 4.784 50 30 EJEARN N#CC(=NNc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012376648 563659124 /nfs/dbraw/zinc/65/91/24/563659124.db2.gz MJEURDDFVXDTCA-PXLXIMEGSA-N 0 0 338.823 4.803 50 30 EJEARN Cc1cc(C)nc(NC(=N)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000013054963 563686288 /nfs/dbraw/zinc/68/62/88/563686288.db2.gz HLAUONMJYBUNIK-OCEACIFDSA-N 0 0 345.410 4.567 50 30 EJEARN CSC1=Nc2ccccc2C1=NNc1cccc(C(F)(F)F)c1 ZINC000013397374 563697345 /nfs/dbraw/zinc/69/73/45/563697345.db2.gz YBMXQJKCAXEBIG-HMAPJEAMSA-N 0 0 335.354 4.928 50 30 EJEARN COc1ccc2cc(C(C)=NOC(=O)Nc3ccccc3)ccc2c1 ZINC000013469100 563699069 /nfs/dbraw/zinc/69/90/69/563699069.db2.gz UMHQLISGBIQMKZ-HYARGMPZSA-N 0 0 334.375 4.821 50 30 EJEARN Cc1ccc(/N=C/c2cc(Br)c3ccccc3c2O)nc1 ZINC000013756636 563720973 /nfs/dbraw/zinc/72/09/73/563720973.db2.gz VSMHLRBDVQYUND-KEBDBYFISA-N 0 0 341.208 4.762 50 30 EJEARN CCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000013880414 563728301 /nfs/dbraw/zinc/72/83/01/563728301.db2.gz DOLFOBDWABTIOQ-SDXDJHTJSA-N 0 0 335.403 4.600 50 30 EJEARN Cc1ccc(/N=C2/C(=O)N3c4c2c(C)ccc4C(C)=CC3(C)C)cc1 ZINC000014671554 563762740 /nfs/dbraw/zinc/76/27/40/563762740.db2.gz FVDCXZAINCFVON-FCDQGJHFSA-N 0 0 330.431 4.966 50 30 EJEARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000015029723 563773879 /nfs/dbraw/zinc/77/38/79/563773879.db2.gz PKXUUXBVAUEILS-LBPRGKRZSA-N 0 0 330.840 4.525 50 30 EJEARN O=C(/C(=C\c1cccnc1)c1nc2ccccc2o1)c1ccccc1 ZINC000016672999 563820150 /nfs/dbraw/zinc/82/01/50/563820150.db2.gz OJCMTHCACYRILJ-GHRIWEEISA-N 0 0 326.355 4.646 50 30 EJEARN CCCC(=NOCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000018088362 563848250 /nfs/dbraw/zinc/84/82/50/563848250.db2.gz CSPPKDPQLUUTND-CRRCBQERSA-N 0 0 327.490 4.502 50 30 in-vitro EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000018172921 563850345 /nfs/dbraw/zinc/85/03/45/563850345.db2.gz HNOGJIVCJQTOQX-HXUWFJFHSA-N 0 0 334.419 4.614 50 30 EJEARN C[C@@H]1Oc2ccccc2C=C1/C=N/N=C/C1=Cc2ccccc2O[C@H]1C ZINC000027018763 563894396 /nfs/dbraw/zinc/89/43/96/563894396.db2.gz INHNHGUBWMXLHV-AVJRFCSFSA-N 0 0 344.414 4.772 50 30 EJEARN N#CC1(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CCCC1 ZINC000029852122 563908741 /nfs/dbraw/zinc/90/87/41/563908741.db2.gz VETFYUMGPFZBIX-UHFFFAOYSA-N 0 0 337.857 4.547 50 30 EJEARN Fc1c(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000068576425 563923987 /nfs/dbraw/zinc/92/39/87/563923987.db2.gz BSSLTVJMUSSXTH-UHFFFAOYSA-N 0 0 348.139 4.668 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C[C@H]2c1ccccc1 ZINC000004597890 563925906 /nfs/dbraw/zinc/92/59/06/563925906.db2.gz SIJHDAJEDHLNAO-SFHVURJKSA-N 0 0 344.458 4.811 50 30 EJEARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013689239 563931791 /nfs/dbraw/zinc/93/17/91/563931791.db2.gz WEDSPTUXKVAVTR-INIZCTEOSA-N 0 0 342.826 4.837 50 30 EJEARN CC(C)c1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000057411890 563935566 /nfs/dbraw/zinc/93/55/66/563935566.db2.gz CBQAFAWPXGVILF-YBFXNURJSA-N 0 0 332.241 4.897 50 30 EJEARN CCCCCCCCCCCC1N=NC(=S)N1C[C@H]1CCCO1 ZINC000097941859 563951621 /nfs/dbraw/zinc/95/16/21/563951621.db2.gz PBOHETZHRDKLRK-MRXNPFEDSA-N 0 0 339.549 4.819 50 30 EJEARN N#Cc1ccc(Oc2cccc(-c3cnc4ccccc4n3)c2)cc1C#N ZINC000000039405 563968598 /nfs/dbraw/zinc/96/85/98/563968598.db2.gz FJMDTJZJIWFQJN-UHFFFAOYSA-N 0 0 348.365 4.832 50 30 EJEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc(F)c(F)c1)O[C@@H](C)C2 ZINC000097992451 563970422 /nfs/dbraw/zinc/97/04/22/563970422.db2.gz FTJFXCOINJDTEE-HWPRWLFBSA-N 0 0 344.357 4.583 50 30 EJEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000033321059 563974065 /nfs/dbraw/zinc/97/40/65/563974065.db2.gz XZYPYFMMYMGWRQ-GOSISDBHSA-N 0 0 336.435 4.746 50 30 EJEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N=C3C)C2)cc1 ZINC000100123566 563982364 /nfs/dbraw/zinc/98/23/64/563982364.db2.gz MKPKASXZXPKWDK-OAHLLOKOSA-N 0 0 332.403 4.614 50 30 EJEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000000136934 563986998 /nfs/dbraw/zinc/98/69/98/563986998.db2.gz MSRUWZLOKLCXGB-UHFFFAOYSA-N 0 0 339.807 4.587 50 30 EJEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1cccs1 ZINC000000206619 563988532 /nfs/dbraw/zinc/98/85/32/563988532.db2.gz LPWKSJYEOFZXGB-UHFFFAOYSA-N 0 0 336.441 4.657 50 30 EJEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000000218799 563988757 /nfs/dbraw/zinc/98/87/57/563988757.db2.gz GIYOASBCPDYNNG-SSDVNMTOSA-N 0 0 349.777 4.999 50 30 EJEARN COCc1cc(C)nc(SCc2cccc3ccccc32)c1C#N ZINC000000277532 563990183 /nfs/dbraw/zinc/99/01/83/563990183.db2.gz DJHKULMVPHUPON-UHFFFAOYSA-N 0 0 334.444 4.854 50 30 EJEARN N#Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1C#N ZINC000000348762 563991496 /nfs/dbraw/zinc/99/14/96/563991496.db2.gz IKRZFLVBAKCAJN-UHFFFAOYSA-N 0 0 326.355 4.801 50 30 EJEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)Cc3cccs3)sc2C1 ZINC000000372281 563991846 /nfs/dbraw/zinc/99/18/46/563991846.db2.gz KKOAGQWRWMJMHQ-GFCCVEGCSA-N 0 0 344.505 4.767 50 30 EJEARN CC(C)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000000442607 563999612 /nfs/dbraw/zinc/99/96/12/563999612.db2.gz MQWXEMBNOSTOSC-GZTJUZNOSA-N 0 0 340.423 4.841 50 30 EJEARN O=C1CCCC2=C1[C@H](c1ccccc1)Nc1ccc3ncccc3c12 ZINC000000322178 564000174 /nfs/dbraw/zinc/00/01/74/564000174.db2.gz TZBCBJTUFAYCRC-QFIPXVFZSA-N 0 0 326.399 4.908 50 30 EJEARN COc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000000083895 564001896 /nfs/dbraw/zinc/00/18/96/564001896.db2.gz GBIFOCOLAFOSBC-UHFFFAOYSA-N 0 0 325.755 4.619 50 30 EJEARN C=C(C)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000002127737 564003792 /nfs/dbraw/zinc/00/37/92/564003792.db2.gz BVNABDBZBSYDEN-UHFFFAOYSA-N 0 0 336.387 4.732 50 30 biogenic EJEARN N#Cc1c2nc3ccccc3n2c(NC2CCCC2)c2c1CCCC2 ZINC000005454007 564004265 /nfs/dbraw/zinc/00/42/65/564004265.db2.gz FETXIVODANECPQ-UHFFFAOYSA-N 0 0 330.435 4.592 50 30 EJEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1c(Cl)cccc1Cl ZINC000005556966 564005425 /nfs/dbraw/zinc/00/54/25/564005425.db2.gz RIHNZTLQMVOPMT-ZROIWOOFSA-N 0 0 349.242 4.885 50 30 EJEARN C=C(C)CSc1nc2scc(-c3cccs3)c2c(=O)n1CC ZINC000005583339 564005885 /nfs/dbraw/zinc/00/58/85/564005885.db2.gz GHAOLJZCJHUDRO-UHFFFAOYSA-N 0 0 348.518 4.875 50 30 EJEARN Cc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000006048378 564006301 /nfs/dbraw/zinc/00/63/01/564006301.db2.gz VYXIWBQUVCEJPE-WEVVVXLNSA-N 0 0 346.180 4.562 50 30 EJEARN Cc1ccsc1/C=C1/S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000005603295 564006340 /nfs/dbraw/zinc/00/63/40/564006340.db2.gz KTNRHSKAIUCBKC-MDWZMJQESA-N 0 0 334.853 4.602 50 30 EJEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)C12CCCCCC2 ZINC000017724785 564012337 /nfs/dbraw/zinc/01/23/37/564012337.db2.gz FYRXOFMOCYBNBC-ZCYBBYNQSA-N 0 0 336.479 4.776 50 30 EJEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O ZINC000017779898 564013000 /nfs/dbraw/zinc/01/30/00/564013000.db2.gz PQJZDZLDUCXUIF-MNPLYOLFSA-N 0 0 334.444 4.833 50 30 EJEARN Cc1ccccc1[C@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)C21 ZINC000103865197 564023237 /nfs/dbraw/zinc/02/32/37/564023237.db2.gz OBUZWNWRVVFPIW-IBGZPJMESA-N 0 0 341.410 4.871 50 30 EJEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000051318656 564024507 /nfs/dbraw/zinc/02/45/07/564024507.db2.gz XJGBZBPGOSKCHV-BUHFOSPRSA-N 0 0 337.419 4.795 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)c(F)c2)cc1 ZINC000051318540 564024512 /nfs/dbraw/zinc/02/45/12/564024512.db2.gz VOAPDQAQTYGTJI-ZHACJKMWSA-N 0 0 331.362 4.952 50 30 EJEARN N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@]1(C#N)N2c1ccccc1O ZINC000004728591 564025172 /nfs/dbraw/zinc/02/51/72/564025172.db2.gz NYPAPXFYOSDURV-ALFLXDJESA-N 0 0 335.451 4.507 50 30 EJEARN CCCCCCCNC(CC)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000109624038 564029634 /nfs/dbraw/zinc/02/96/34/564029634.db2.gz WEZSFFFBPSNJMO-MSUUIHNZSA-N 0 0 348.874 4.825 50 30 EJEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3)c12 ZINC000008026434 564034615 /nfs/dbraw/zinc/03/46/15/564034615.db2.gz GVFHXJJECZTEGC-BUHFOSPRSA-N 0 0 341.414 4.680 50 30 EJEARN CN(c1ccccc1)c1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000220978282 564036025 /nfs/dbraw/zinc/03/60/25/564036025.db2.gz FSUSHBLCYBOGFU-UHFFFAOYSA-N 0 0 333.431 4.796 50 30 EJEARN C=C(Cl)COc1cc2oc(=O)cc(CCCC)c2cc1Cl ZINC000002882766 564036258 /nfs/dbraw/zinc/03/62/58/564036258.db2.gz XDUGIXUYRFLIIS-UHFFFAOYSA-N 0 0 327.207 4.920 50 30 EJEARN Cc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000033347863 564036721 /nfs/dbraw/zinc/03/67/21/564036721.db2.gz HXSCPXCKEDXDKT-YFBGDSSHSA-N 0 0 345.486 4.902 50 30 EJEARN N#Cc1c(CSc2nc(-c3ccc(F)cc3)c[nH]2)cn2ccccc12 ZINC000025148774 564053624 /nfs/dbraw/zinc/05/36/24/564053624.db2.gz ZFUBGTUZAWOXLX-UHFFFAOYSA-N 0 0 348.406 4.632 50 30 EJEARN Cc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000000970969 564053759 /nfs/dbraw/zinc/05/37/59/564053759.db2.gz SLVKDVKYXPCBOM-UHFFFAOYSA-N 0 0 344.867 4.642 50 30 EJEARN Cc1ccccc1[C@H]1CC(=O)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 ZINC000001079481 564054332 /nfs/dbraw/zinc/05/43/32/564054332.db2.gz HVJWGOLDFHWXCY-GOSISDBHSA-N 0 0 349.405 4.662 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257358533 564055979 /nfs/dbraw/zinc/05/59/79/564055979.db2.gz UZROOFLUFHWOJQ-LOVDNMFISA-N 0 0 332.459 4.672 50 30 EJEARN CCSC1=C(SCC)C(=O)C(SCC)=C(SCC)C1=O ZINC000001743309 564056857 /nfs/dbraw/zinc/05/68/57/564056857.db2.gz OZMJRZYHHPGHFM-UHFFFAOYSA-N 0 0 348.580 4.574 50 30 EJEARN CSc1nc(Nc2ccc(F)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000007995233 564057481 /nfs/dbraw/zinc/05/74/81/564057481.db2.gz ITQMFYHCXSPMBM-UHFFFAOYSA-N 0 0 336.395 4.620 50 30 EJEARN CC(C)c1ccc(CSc2nnc(S[C@H](C)C#N)s2)cc1 ZINC000006000055 564057519 /nfs/dbraw/zinc/05/75/19/564057519.db2.gz UGEVSZAODOMNAJ-LLVKDONJSA-N 0 0 335.523 4.958 50 30 EJEARN N#CCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000012603392 564060477 /nfs/dbraw/zinc/06/04/77/564060477.db2.gz CDMSFLOZXFKXNP-UHFFFAOYSA-N 0 0 327.387 4.682 50 30 EJEARN C/N=C(/c1cccc(C(F)(F)F)c1)N(C)c1ccc(Cl)cc1 ZINC000004049980 564061692 /nfs/dbraw/zinc/06/16/92/564061692.db2.gz BBAJSENQTJYXFC-QNGOZBTKSA-N 0 0 326.749 4.872 50 30 EJEARN C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000078482894 564061982 /nfs/dbraw/zinc/06/19/82/564061982.db2.gz RUUGOAHXKMWFSW-INIZCTEOSA-N 0 0 334.419 4.613 50 30 EJEARN Cn1nc(-c2ccccc2)c(C#N)c1Sc1cccc(Cl)c1 ZINC000001387623 564063994 /nfs/dbraw/zinc/06/39/94/564063994.db2.gz HLTYMHSLJJABNT-UHFFFAOYSA-N 0 0 325.824 4.763 50 30 EJEARN C=CCc1cc(CN(C)[C@H](C)c2nccs2)ccc1OC(C)C ZINC000063846600 564066409 /nfs/dbraw/zinc/06/64/09/564066409.db2.gz IWVBZRAGGJNLCD-OAHLLOKOSA-N 0 0 330.497 4.852 50 30 EJEARN C=CCNc1nc(SCc2ccccc2Cl)nc2c1CCCC2 ZINC000005480613 564070603 /nfs/dbraw/zinc/07/06/03/564070603.db2.gz XERHIRVFEKBBJP-UHFFFAOYSA-N 0 0 345.899 4.899 50 30 EJEARN C#CCn1c2ccccc2nc1[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561756 564074595 /nfs/dbraw/zinc/07/45/95/564074595.db2.gz YDOBOTVUJWSKKL-INIZCTEOSA-N 0 0 340.426 4.983 50 30 EJEARN C#CC1(NC(=O)c2ccc(-c3ccc(CC)cc3)cc2)CCCCC1 ZINC000002162790 564074799 /nfs/dbraw/zinc/07/47/99/564074799.db2.gz KZJLPAQMYVITDZ-UHFFFAOYSA-N 0 0 331.459 4.982 50 30 EJEARN C=C(C)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)[C@@]3(CO)CC(=C)C[C@H]3[C@]21C ZINC000038275310 564076159 /nfs/dbraw/zinc/07/61/59/564076159.db2.gz UEDSBLWZEYKZTI-APNJQVRGSA-N 0 0 330.512 4.929 50 30 EJEARN CC1CCC(N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000027529342 564076161 /nfs/dbraw/zinc/07/61/61/564076161.db2.gz FRDKCJHFGXPOAW-UHFFFAOYSA-N 0 0 330.413 4.696 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345618 564076563 /nfs/dbraw/zinc/07/65/63/564076563.db2.gz CRCLPPBJMHAOFC-DURAGMPWSA-N 0 0 330.512 4.905 50 30 EJEARN C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1 ZINC000034190033 564079374 /nfs/dbraw/zinc/07/93/74/564079374.db2.gz MKVLRDJGMWBXKW-UHFFFAOYSA-N 0 0 349.430 4.740 50 30 EJEARN CCN1c2ccccc2C=C/C1=C\C(=O)c1cccc(OC(F)F)c1 ZINC000075250184 564081174 /nfs/dbraw/zinc/08/11/74/564081174.db2.gz TYXBZNWNRJQXQO-DTQAZKPQSA-N 0 0 341.357 4.908 50 30 EJEARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cc3ccccc3cc2O)C1 ZINC000000173946 564082496 /nfs/dbraw/zinc/08/24/96/564082496.db2.gz NBFSKQNISYOHDF-OAHLLOKOSA-N 0 0 334.419 4.564 50 30 EJEARN CCOc1ccc(NC=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006393557 564085489 /nfs/dbraw/zinc/08/54/89/564085489.db2.gz XAUGFFWAIKXCPP-BQYQJAHWSA-N 0 0 325.452 4.796 50 30 EJEARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1cccc(F)c1 ZINC000040139523 564085911 /nfs/dbraw/zinc/08/59/11/564085911.db2.gz IOJDJCCOAJGHAS-FMIVXFBMSA-N 0 0 333.362 4.696 50 30 EJEARN CCOc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O ZINC000006464481 564089365 /nfs/dbraw/zinc/08/93/65/564089365.db2.gz GBMPYCLZAXOVNI-WJDWOHSUSA-N 0 0 340.404 4.523 50 30 EJEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1 ZINC000064438662 564091369 /nfs/dbraw/zinc/09/13/69/564091369.db2.gz WRSOTBYVOVNLFE-UHFFFAOYSA-N 0 0 345.421 4.705 50 30 EJEARN Cc1nc(-c2cccc(-c3noc(-c4ccc(C#N)cc4)n3)c2)cs1 ZINC000064676968 564095255 /nfs/dbraw/zinc/09/52/55/564095255.db2.gz IYJBJULGLYSCQJ-UHFFFAOYSA-N 0 0 344.399 4.707 50 30 EJEARN Cc1cccc(Nc2nnc(SCc3ccccc3C#N)s2)c1 ZINC000006814826 564098675 /nfs/dbraw/zinc/09/86/75/564098675.db2.gz DDVWPFQRKLSASA-UHFFFAOYSA-N 0 0 338.461 4.754 50 30 EJEARN CN(C)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001710172 564099079 /nfs/dbraw/zinc/09/90/79/564099079.db2.gz KZEORMYXLDOYGK-HZHRSRAPSA-N 0 0 325.415 4.605 50 30 EJEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000007017121 564103197 /nfs/dbraw/zinc/10/31/97/564103197.db2.gz VWQAUXGYSPCPSA-BMIGLBTASA-N 0 0 345.295 4.528 50 30 EJEARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000238809349 564104983 /nfs/dbraw/zinc/10/49/83/564104983.db2.gz QKEBUASRTJNJJS-XUTJKUGGSA-N 0 0 331.503 7.079 50 30 EJEARN Cc1cc(F)ccc1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000007279525 564106440 /nfs/dbraw/zinc/10/64/40/564106440.db2.gz PEZNYJPBYVKZIV-UHFFFAOYSA-N 0 0 330.362 4.925 50 30 EJEARN COc1cc2c(cc1NC(=O)C1(C#N)CCCC1)oc1ccccc12 ZINC000007334491 564106970 /nfs/dbraw/zinc/10/69/70/564106970.db2.gz NMLBNVBNXDNODW-UHFFFAOYSA-N 0 0 334.375 4.617 50 30 EJEARN Cc1nc(Cl)sc1C(=O)Nc1c(Cl)cc(C#N)cc1Cl ZINC000170598535 564109224 /nfs/dbraw/zinc/10/92/24/564109224.db2.gz LPZIMQLVNHROAI-UHFFFAOYSA-N 0 0 346.626 4.536 50 30 EJEARN CCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(Cl)cc1C#N ZINC000004550676 564111734 /nfs/dbraw/zinc/11/17/34/564111734.db2.gz MYKWUBUUIVVATC-SFHVURJKSA-N 0 0 339.826 4.578 50 30 EJEARN CCCCNC(=S)NNc1c(Cl)cc(Cl)cc1Cl ZINC000013684883 564111877 /nfs/dbraw/zinc/11/18/77/564111877.db2.gz ZNXWAZUVHCSKMI-UHFFFAOYSA-N 0 0 326.680 4.649 50 30 EJEARN C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Br)o1 ZINC000193039231 564116589 /nfs/dbraw/zinc/11/65/89/564116589.db2.gz JOJHIISJKFCYPU-JSGCOSHPSA-N 0 0 333.229 4.738 50 30 EJEARN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Br)o1 ZINC000193039273 564116614 /nfs/dbraw/zinc/11/66/14/564116614.db2.gz JOJHIISJKFCYPU-TZMCWYRMSA-N 0 0 333.229 4.738 50 30 EJEARN COc1cc(C=Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000252460826 564118684 /nfs/dbraw/zinc/11/86/84/564118684.db2.gz ILERONFTKYUXOY-UHFFFAOYSA-N 0 0 340.206 4.770 50 30 EJEARN O=C(ON=Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000252600432 564121127 /nfs/dbraw/zinc/12/11/27/564121127.db2.gz DRHRFNKHNJUZDY-UHFFFAOYSA-N 0 0 327.689 4.550 50 30 EJEARN COC(=O)c1ccc(-c2ccc(C=Nc3cc(C)c(C)cc3O)o2)cc1 ZINC000252610381 564121422 /nfs/dbraw/zinc/12/14/22/564121422.db2.gz IBLDSHUHHIREOG-UHFFFAOYSA-N 0 0 349.386 4.806 50 30 EJEARN CN(C)c1ccc(C=Nc2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000252610343 564121465 /nfs/dbraw/zinc/12/14/65/564121465.db2.gz IARCKJDCOQKSHG-UHFFFAOYSA-N 0 0 340.430 4.842 50 30 EJEARN N#Cc1ccc(COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC000007653819 564121603 /nfs/dbraw/zinc/12/16/03/564121603.db2.gz WPOLFRMZYUMTNQ-UHFFFAOYSA-N 0 0 345.782 4.922 50 30 EJEARN COc1cc(N=C/C=C\c2ccccc2)ccc1NC(=O)c1ccco1 ZINC000252620005 564122320 /nfs/dbraw/zinc/12/23/20/564122320.db2.gz LVVINWDEQSMEHS-WDBRIPOMSA-N 0 0 346.386 4.956 50 30 EJEARN COc1cc(Br)cc(C=Nc2ccc(C)c(C)c2)c1O ZINC000252620941 564122853 /nfs/dbraw/zinc/12/28/53/564122853.db2.gz MPONXUABFLVXFG-UHFFFAOYSA-N 0 0 334.213 4.531 50 30 EJEARN Cc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000252622191 564122935 /nfs/dbraw/zinc/12/29/35/564122935.db2.gz NQNOUNZRISKNFT-WYWZIVHKSA-N 0 0 347.443 4.710 50 30 EJEARN CCC(=NOC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1 ZINC000252631503 564123996 /nfs/dbraw/zinc/12/39/96/564123996.db2.gz VLLKAGFSNNHPGB-UHFFFAOYSA-N 0 0 325.408 4.753 50 30 EJEARN CN(C)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)S1 ZINC000252634612 564124530 /nfs/dbraw/zinc/12/45/30/564124530.db2.gz WPBWOGUKPAAFEA-UHFFFAOYSA-N 0 0 340.477 4.759 50 30 EJEARN Cc1sc2ncnc(N=NCc3c(O)ccc4ccccc43)c2c1C ZINC000252641980 564124753 /nfs/dbraw/zinc/12/47/53/564124753.db2.gz ZHLIBGVCPIYWGR-UHFFFAOYSA-N 0 0 348.431 4.613 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000003898339 564125066 /nfs/dbraw/zinc/12/50/66/564125066.db2.gz CXISUUDCBXKVAA-YBFXNURJSA-N 0 0 341.754 4.954 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000090649894 564129477 /nfs/dbraw/zinc/12/94/77/564129477.db2.gz UZROOFLUFHWOJQ-PTAHHKKXSA-N 0 0 332.459 4.672 50 30 EJEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccc1 ZINC000000045595 564132710 /nfs/dbraw/zinc/13/27/10/564132710.db2.gz HYNLGAFCVPBZGG-UHFFFAOYSA-N 0 0 340.430 4.842 50 30 EJEARN CSc1nc(-c2ccccc2)nc(Sc2ccccc2)c1C#N ZINC000000132108 564132875 /nfs/dbraw/zinc/13/28/75/564132875.db2.gz DTOZJWWIVJQQAZ-UHFFFAOYSA-N 0 0 335.457 4.888 50 30 EJEARN COc1nc2c(c(-c3ccccc3Cl)c1C#N)Cc1ccccc1-2 ZINC000000159515 564132909 /nfs/dbraw/zinc/13/29/09/564132909.db2.gz LQTBEDQGZHZFMO-UHFFFAOYSA-N 0 0 332.790 4.853 50 30 EJEARN Cc1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C#N)c1C ZINC000000433652 564133253 /nfs/dbraw/zinc/13/32/53/564133253.db2.gz XFMLHKWNOKETBI-UHFFFAOYSA-N 0 0 325.220 4.796 50 30 EJEARN N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCCCC2 ZINC000000483779 564133301 /nfs/dbraw/zinc/13/33/01/564133301.db2.gz KJBXUFUWQBHRFB-UHFFFAOYSA-N 0 0 328.412 4.670 50 30 EJEARN N#Cc1ccc(CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000523630 564133371 /nfs/dbraw/zinc/13/33/71/564133371.db2.gz KOKUNZULXZWZSB-UHFFFAOYSA-N 0 0 337.473 4.734 50 30 EJEARN CCCCCCCNc1ncnc2c3cc(OCC)ccc3[nH]c21 ZINC000002412547 564134771 /nfs/dbraw/zinc/13/47/71/564134771.db2.gz JOBXXGGMYUMEFS-UHFFFAOYSA-N 0 0 326.444 4.892 50 30 EJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3c(F)cccc3Cl)sc2C1 ZINC000013326342 564136198 /nfs/dbraw/zinc/13/61/98/564136198.db2.gz BGTPKRYYEQTWSB-SECBINFHSA-N 0 0 348.830 4.789 50 30 EJEARN C[C@@H]1c2ccccc2C=C1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000328592706 564136788 /nfs/dbraw/zinc/13/67/88/564136788.db2.gz BRKZLRYUXJBAQZ-OAHLLOKOSA-N 0 0 329.403 4.530 50 30 EJEARN O=C1NC(=Nc2ccc(F)c(Cl)c2)C(=Cc2cccnc2)S1 ZINC000095474377 564141345 /nfs/dbraw/zinc/14/13/45/564141345.db2.gz WIQJULFPQOMGNE-AWNIVKPZSA-N 0 0 333.775 4.606 50 30 EJEARN CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c1 ZINC000096766879 564148937 /nfs/dbraw/zinc/14/89/37/564148937.db2.gz XPUZOPPTDMBUKF-HJWRWDBZSA-N 0 0 333.309 4.560 50 30 EJEARN CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182647 564150606 /nfs/dbraw/zinc/15/06/06/564150606.db2.gz KOXIGOMIBVZUGO-ODLFYWEKSA-N 0 0 333.387 4.502 50 30 EJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3F)sc2C1 ZINC000002740580 564152345 /nfs/dbraw/zinc/15/23/45/564152345.db2.gz BMQFSUONYZUVER-LLVKDONJSA-N 0 0 328.412 4.526 50 30 EJEARN CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000002748034 564152390 /nfs/dbraw/zinc/15/23/90/564152390.db2.gz SEIGAFFUOCLZPJ-LSDHHAIUSA-N 0 0 334.345 4.538 50 30 EJEARN Cc1ccc(-n2c3nc4ccccc4nc3c(C#N)c2-n2cccc2)cc1 ZINC000003171591 564155624 /nfs/dbraw/zinc/15/56/24/564155624.db2.gz RMRHITZIVAQNEJ-UHFFFAOYSA-N 0 0 349.397 4.545 50 30 EJEARN CCCOc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1OCCC ZINC000058482230 564159266 /nfs/dbraw/zinc/15/92/66/564159266.db2.gz WQPVKHCSNZLOFI-HNNXBMFYSA-N 0 0 339.439 4.704 50 30 EJEARN Cc1cccc(-n2c(SCc3cccc(C#N)c3)nnc2C(C)C)c1 ZINC000004184772 564161057 /nfs/dbraw/zinc/16/10/57/564161057.db2.gz BQYNCBVLTJQGQZ-UHFFFAOYSA-N 0 0 348.475 4.863 50 30 EJEARN CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000008076714 564162581 /nfs/dbraw/zinc/16/25/81/564162581.db2.gz SQKOSZNLDLVOQV-UHFFFAOYSA-N 0 0 330.387 4.951 50 30 EJEARN N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1cccnc1 ZINC000008419398 564165183 /nfs/dbraw/zinc/16/51/83/564165183.db2.gz XXVVULDVCDNDCI-UHFFFAOYSA-N 0 0 335.354 4.537 50 30 EJEARN CCOc1ccc(Nc2oc(/C=C/c3ccc(F)cc3)nc2C#N)cc1 ZINC000008612988 564166078 /nfs/dbraw/zinc/16/60/78/564166078.db2.gz QZTRPRMNLNIODY-LFYBBSHMSA-N 0 0 349.365 4.998 50 30 EJEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000009089988 564168837 /nfs/dbraw/zinc/16/88/37/564168837.db2.gz VACBGWNEWYEGKL-LRTDBIEQSA-N 0 0 334.419 4.527 50 30 EJEARN Cc1cc(SC2CCCCC2)ccc1NC(=O)CSCC#N ZINC000069454228 564169611 /nfs/dbraw/zinc/16/96/11/564169611.db2.gz HIPWGNBAJWGJHE-UHFFFAOYSA-N 0 0 334.510 4.615 50 30 EJEARN Cc1ncsc1C(=O)/C=C/c1cccc(OCc2ccccc2)c1 ZINC000070036730 564173438 /nfs/dbraw/zinc/17/34/38/564173438.db2.gz PWXRBHWUVHDYPW-ZHACJKMWSA-N 0 0 335.428 4.927 50 30 EJEARN Cc1ccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)cc1 ZINC000009423333 564173643 /nfs/dbraw/zinc/17/36/43/564173643.db2.gz BNFKFXWOMKAZGX-JXAWBTAJSA-N 0 0 340.382 4.955 50 30 EJEARN Cc1sc(NC(=O)c2ccc(SC(C)C)cc2)c(C#N)c1C ZINC000010253334 564175162 /nfs/dbraw/zinc/17/51/62/564175162.db2.gz JVODZXXCLILTTL-UHFFFAOYSA-N 0 0 330.478 4.989 50 30 EJEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000004741839 210265985 /nfs/dbraw/zinc/26/59/85/210265985.db2.gz DGEYNHYVNRJHLY-NRFANRHFSA-N 0 0 343.430 4.621 50 30 EJEARN Cc1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C#N)c1C ZINC000004703999 210253079 /nfs/dbraw/zinc/25/30/79/210253079.db2.gz MZXIEVPUQOCOOV-UHFFFAOYSA-N 0 0 328.481 4.782 50 30 EJEARN CCCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000004675100 210243172 /nfs/dbraw/zinc/24/31/72/210243172.db2.gz PLTJMTCDMJOOIE-UHFFFAOYSA-N 0 0 332.451 4.840 50 30 EJEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1 ZINC000004645153 210236658 /nfs/dbraw/zinc/23/66/58/210236658.db2.gz AUJFOCXNPURNFR-NTEUORMPSA-N 0 0 349.242 4.885 50 30 EJEARN CCCC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000004621163 210233249 /nfs/dbraw/zinc/23/32/49/210233249.db2.gz ZGNJPWABIORJIS-DYTRJAOYSA-N 0 0 325.481 4.876 50 30 EJEARN CCON=C(CC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O ZINC000100043559 219088933 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COc1ccc(-c2cc(-c3ccc(C)cc3)[nH]c(=S)c2C#N)cc1 ZINC000000063848 209395622 /nfs/dbraw/zinc/39/56/22/209395622.db2.gz UPMIIGUVRVOKOS-UHFFFAOYSA-N 0 0 332.428 4.893 50 30 EJEARN N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000000059945 209394768 /nfs/dbraw/zinc/39/47/68/209394768.db2.gz SBMLICRGHZARTK-UHFFFAOYSA-N 0 0 329.790 5.000 50 30 EJEARN COc1ccc(/N=C/c2cc(Br)ccc2O)cc1Cl ZINC000000058405 209394483 /nfs/dbraw/zinc/39/44/83/209394483.db2.gz BATWUKVVGIRFCM-CAOOACKPSA-N 0 0 340.604 4.567 50 30 EJEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005191141 201361965 /nfs/dbraw/zinc/36/19/65/201361965.db2.gz MOMUZUBEMSUNEL-NVMNQCDNSA-N 0 0 326.779 4.911 50 30 EJEARN CCOc1cc(/C=C2/CSc3ccc(F)cc3C2=O)ccc1OC ZINC000096765597 201378061 /nfs/dbraw/zinc/37/80/61/201378061.db2.gz IELWDFFEZBATPM-JYRVWZFOSA-N 0 0 344.407 4.605 50 30 EJEARN C=C(C)CNC(=O)c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000023305543 212367472 /nfs/dbraw/zinc/36/74/72/212367472.db2.gz ZMQLNGQEVDKWPZ-UHFFFAOYSA-N 0 0 336.460 4.886 50 30 EJEARN C#Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC000022668278 212315872 /nfs/dbraw/zinc/31/58/72/212315872.db2.gz DTQXLWNYDILBEQ-UHFFFAOYSA-N 0 0 329.783 4.927 50 30 EJEARN C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(Cl)c1 ZINC000216847614 241215909 /nfs/dbraw/zinc/21/59/09/241215909.db2.gz KMNIMXWLQCTTRZ-UHFFFAOYSA-N 0 0 349.213 4.671 50 30 EJEARN Cc1sc(NC(=O)COc2ccccc2)c(C#N)c1-c1ccccc1 ZINC000001055270 201497563 /nfs/dbraw/zinc/49/75/63/201497563.db2.gz AQIJZMDVLTWQSC-UHFFFAOYSA-N 0 0 348.427 4.613 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(O)c1 ZINC000001257988 201501201 /nfs/dbraw/zinc/50/12/01/201501201.db2.gz QSEQNCIGXZQSGC-FQEVSTJZSA-N 0 0 334.419 4.614 50 30 EJEARN Cc1ccccc1Cn1cc(C(=O)Cc2ccc(Cl)cc2)cc1C#N ZINC000001390041 201506165 /nfs/dbraw/zinc/50/61/65/201506165.db2.gz IJYYPRJOCKGQQR-UHFFFAOYSA-N 0 0 348.833 4.795 50 30 EJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C)o3)sc2C1 ZINC000002737003 201543175 /nfs/dbraw/zinc/54/31/75/201543175.db2.gz 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/nfs/dbraw/zinc/15/60/13/212156013.db2.gz PTBGADOQFLAPJN-UHFFFAOYSA-N 0 0 339.132 4.512 50 30 EJEARN CC[C@@H](C)Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019794129 212068996 /nfs/dbraw/zinc/06/89/96/212068996.db2.gz YZMXUTBKUFMDPB-SNVBAGLBSA-N 0 0 332.860 4.601 50 30 EJEARN O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000100468308 203993545 /nfs/dbraw/zinc/99/35/45/203993545.db2.gz ZMFUNBANYCYMOW-VXLYETTFSA-N 0 0 328.824 4.989 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000018172923 211985378 /nfs/dbraw/zinc/98/53/78/211985378.db2.gz HNOGJIVCJQTOQX-FQEVSTJZSA-N 0 0 334.419 4.614 50 30 EJEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1 ZINC000017167449 211957699 /nfs/dbraw/zinc/95/76/99/211957699.db2.gz MJGMNUKIOHTRGE-LCYFTJDESA-N 0 0 348.880 4.856 50 30 EJEARN COc1ccc(C(=O)C=C(C)Nc2ccc(Br)cc2)cc1 ZINC000016183015 211888167 /nfs/dbraw/zinc/88/81/67/211888167.db2.gz POGTYROFKBBKPT-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN CC(C)c1nc(OCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000013730785 211623908 /nfs/dbraw/zinc/62/39/08/211623908.db2.gz HBBAWXRLPNACBY-UHFFFAOYSA-N 0 0 336.435 4.507 50 30 EJEARN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012911641 211481984 /nfs/dbraw/zinc/48/19/84/211481984.db2.gz DILKUKXSUGUMQN-CXUHLZMHSA-N 0 0 341.410 4.609 50 30 EJEARN N#Cc1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000010213132 211153733 /nfs/dbraw/zinc/15/37/33/211153733.db2.gz CHXHSFOZGRJGHT-UHFFFAOYSA-N 0 0 348.427 4.524 50 30 EJEARN Oc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009553404 211101625 /nfs/dbraw/zinc/10/16/25/211101625.db2.gz GCCQQTFHRWOFST-XQNSMLJCSA-N 0 0 339.398 4.996 50 30 EJEARN CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 ZINC000009422731 211083231 /nfs/dbraw/zinc/08/32/31/211083231.db2.gz ULAYTVTWUIGKMX-VIFPVBQESA-N 0 0 328.403 4.845 50 30 EJEARN Cc1csc(N=NCc2ccc(OCc3ccccc3F)cc2)n1 ZINC000009426945 211082750 /nfs/dbraw/zinc/08/27/50/211082750.db2.gz VKBLFPIWTYWCNN-KEBDBYFISA-N 0 0 341.411 4.616 50 30 EJEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 ZINC000009088404 211038598 /nfs/dbraw/zinc/03/85/98/211038598.db2.gz GZBPDTGPLLOQMH-GIPWTMENSA-N 0 0 340.373 4.797 50 30 EJEARN N#Cc1c(Cl)csc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000095450506 218394389 /nfs/dbraw/zinc/39/43/89/218394389.db2.gz QHCMXXVXNHGMHC-UHFFFAOYSA-N 0 0 345.638 4.761 50 30 EJEARN C#CC[C@@H](CC)NC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000095962288 218467197 /nfs/dbraw/zinc/46/71/97/218467197.db2.gz AKMLHOQDIYGJAN-GFCCVEGCSA-N 0 0 344.402 4.573 50 30 EJEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1 ZINC000007586980 210816184 /nfs/dbraw/zinc/81/61/84/210816184.db2.gz GUJZDAOAHKTXIY-JLHYYAGUSA-N 0 0 348.446 4.531 50 30 EJEARN N#Cc1ccccc1COC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000007152270 210763750 /nfs/dbraw/zinc/76/37/50/210763750.db2.gz AMHRUKZUEZHJNI-UHFFFAOYSA-N 0 0 340.593 4.875 50 30 EJEARN C=CCSc1nnc2c3ccccc3n(Cc3cccc(C)c3)c2n1 ZINC000006713049 210689549 /nfs/dbraw/zinc/68/95/49/210689549.db2.gz BMIIKKJMKMAFSY-UHFFFAOYSA-N 0 0 346.459 4.614 50 30 EJEARN C=CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C ZINC000006510232 210644484 /nfs/dbraw/zinc/64/44/84/210644484.db2.gz OQKVDRADHYYRBM-UHFFFAOYSA-N 0 0 342.851 4.626 50 30 EJEARN CCOc1ccc(Nc2oc([C@@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 ZINC000096346055 218745377 /nfs/dbraw/zinc/74/53/77/218745377.db2.gz DBHIOJJMYGKNKW-ZWKOTPCHSA-N 0 0 345.402 4.960 50 30 EJEARN N#CCSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2 ZINC000013208160 207365324 /nfs/dbraw/zinc/36/53/24/207365324.db2.gz JHLAUJIHBWWFKI-UHFFFAOYSA-N 0 0 339.851 4.768 50 30 EJEARN O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(F)cc1 ZINC000005689548 210516979 /nfs/dbraw/zinc/51/69/79/210516979.db2.gz XANYBKLOSJHPFQ-UHFFFAOYSA-N 0 0 333.366 4.546 50 30 EJEARN O=C(C=CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000005569363 210491478 /nfs/dbraw/zinc/49/14/78/210491478.db2.gz GMSFAPKLCCDFSA-MDZDMXLPSA-N 0 0 336.616 4.911 50 30 EJEARN Cc1cc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O ZINC000096973218 218907080 /nfs/dbraw/zinc/90/70/80/218907080.db2.gz QKPRNJMTFDFWFJ-IWSCKCOWSA-N 0 0 349.386 4.747 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C#N)cc1 ZINC000005092332 210388018 /nfs/dbraw/zinc/38/80/18/210388018.db2.gz GDJNWOFQCKBPMI-OAQYLSRUSA-N 0 0 343.430 4.780 50 30 EJEARN CCOc1ccccc1/C=C/C(=O)c1ccc(Br)cc1 ZINC000005073315 210384902 /nfs/dbraw/zinc/38/49/02/210384902.db2.gz BAYJEYHTYSOGNS-FMIVXFBMSA-N 0 0 331.209 4.744 50 30 EJEARN C=CCNC(=O)c1cc(-c2cc(C(F)(F)F)ccc2Cl)oc1C ZINC000005059645 210379016 /nfs/dbraw/zinc/37/90/16/210379016.db2.gz OICFRJXJEYQUBP-UHFFFAOYSA-N 0 0 343.732 4.843 50 30 EJEARN CCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000005072978 210384340 /nfs/dbraw/zinc/38/43/40/210384340.db2.gz KESLKNNPDSDWHY-DHZHZOJOSA-N 0 0 331.209 4.744 50 30 EJEARN C=CCOc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc21 ZINC000005049505 210374574 /nfs/dbraw/zinc/37/45/74/210374574.db2.gz CMMDBUVDNWTKKM-UXBLZVDNSA-N 0 0 332.359 4.878 50 30 EJEARN N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000004857626 210303973 /nfs/dbraw/zinc/30/39/73/210303973.db2.gz MONVINVIWYOWCE-UHFFFAOYSA-N 0 0 346.361 4.529 50 30 EJEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(C(F)(F)F)c1 ZINC000004838765 210295145 /nfs/dbraw/zinc/29/51/45/210295145.db2.gz GKBPRLHJNVMRIT-GXDHUFHOSA-N 0 0 348.349 4.597 50 30 EJEARN Cn1cc(/C=C/C(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000004815053 210284663 /nfs/dbraw/zinc/28/46/63/210284663.db2.gz DFDPOSDOJKPOSM-DHZHZOJOSA-N 0 0 340.220 4.837 50 30 EJEARN N#Cc1ccnc(/C=C/c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000328593199 258043600 /nfs/dbraw/zinc/04/36/00/258043600.db2.gz YWAIKFSHPYITAK-CMDGGOBGSA-N 0 0 337.382 4.574 50 30 EJEARN CC(C)N(C)c1ccc(/C=C/c2cc(Cl)nc(Cl)c2C#N)cn1 ZINC000328593131 258043686 /nfs/dbraw/zinc/04/36/86/258043686.db2.gz FBWLLQPKNFIKFG-GQCTYLIASA-N 0 0 347.249 4.670 50 30 EJEARN CCN(C(=O)c1cccc(SCC#N)c1)c1ccccc1Cl ZINC000408513100 257985162 /nfs/dbraw/zinc/98/51/62/257985162.db2.gz WTEVRNSBJUMMGP-UHFFFAOYSA-N 0 0 330.840 4.622 50 30 EJEARN OCC#Cc1csc(-c2c(-c3ccccc3)ncn2C2CC=CC2)c1 ZINC000065387284 258012219 /nfs/dbraw/zinc/01/22/19/258012219.db2.gz IQBLIJNTXLWXCS-UHFFFAOYSA-N 0 0 346.455 4.514 50 30 EJEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1C ZINC000002443517 258016793 /nfs/dbraw/zinc/01/67/93/258016793.db2.gz NYWUBEPCBDMHCV-UHFFFAOYSA-N 0 0 346.459 4.604 50 30 EJEARN C=CCn1c2ccccc2c2nnc(SCc3ccccc3C)nc21 ZINC000000094072 258017122 /nfs/dbraw/zinc/01/71/22/258017122.db2.gz PEEGNPDKKGRQTK-UHFFFAOYSA-N 0 0 346.459 4.766 50 30 EJEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1C ZINC000013330411 258017167 /nfs/dbraw/zinc/01/71/67/258017167.db2.gz LEFRQBNSZCULSU-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN Cc1ccc(C[C@H](C#N)Sc2nnc(C3CCCCC3)o2)cc1 ZINC000006606980 258052393 /nfs/dbraw/zinc/05/23/93/258052393.db2.gz BPIRKPYRNILOLF-MRXNPFEDSA-N 0 0 327.453 4.653 50 30 EJEARN CCCCc1ccc(NC(=S)NCc2ccccc2OC)cc1 ZINC000013497627 258056058 /nfs/dbraw/zinc/05/60/58/258056058.db2.gz SQCFJCNVJDMZSN-UHFFFAOYSA-N 0 0 328.481 4.936 50 30 EJEARN C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000257345624 258073532 /nfs/dbraw/zinc/07/35/32/258073532.db2.gz DFRQHISHXQPKMU-OGDHSWOFSA-N 0 0 328.496 4.826 50 30 EJEARN CC(C)Cc1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000000994439 262518973 /nfs/dbraw/zinc/51/89/73/262518973.db2.gz KYOAKISLWFGWIU-UHFFFAOYSA-N 0 0 344.867 4.780 50 30 EJEARN CC(=NO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257359376 262540733 /nfs/dbraw/zinc/54/07/33/262540733.db2.gz ZWROBJVXVCFTAR-XXHSLLPRSA-N 0 0 333.516 4.856 50 30 EJEARN C=C(C)Cn1c(C(=O)NCc2ccccc2F)cc2sc(C)cc21 ZINC000037542510 518639141 /nfs/dbraw/zinc/63/91/41/518639141.db2.gz YWGDBPTUKDKLFK-UHFFFAOYSA-N 0 0 342.439 4.656 50 30 EJEARN C=CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000036393580 518733258 /nfs/dbraw/zinc/73/32/58/518733258.db2.gz XSQZHIRPYRTHBU-LJQANCHMSA-N 0 0 325.839 4.585 50 30 EJEARN C=CCNc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 ZINC000004186957 518962515 /nfs/dbraw/zinc/96/25/15/518962515.db2.gz DHGLKEMDVGBMRR-UHFFFAOYSA-N 0 0 335.432 4.660 50 30 EJEARN C=CCSc1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040104102 519079438 /nfs/dbraw/zinc/07/94/38/519079438.db2.gz PKPDGWZWZCYTGZ-LBPRGKRZSA-N 0 0 344.402 4.771 50 30 EJEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1F ZINC000004345986 519240139 /nfs/dbraw/zinc/24/01/39/519240139.db2.gz ZRLAVZQYNTWVMP-UHFFFAOYSA-N 0 0 339.439 4.871 50 30 EJEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccccc1F ZINC000004345983 519243491 /nfs/dbraw/zinc/24/34/91/519243491.db2.gz UNCBSBKJKAAOBJ-UHFFFAOYSA-N 0 0 325.412 4.563 50 30 EJEARN CCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000003141073 520061965 /nfs/dbraw/zinc/06/19/65/520061965.db2.gz NXSMOUUWEYAXRW-UHFFFAOYSA-N 0 0 329.396 4.659 50 30 EJEARN CCOc1ccc(NC(=NC#N)SCc2ccc(C)cc2)cc1 ZINC000013564338 521029720 /nfs/dbraw/zinc/02/97/20/521029720.db2.gz JMKJUKGDKOFOMH-UHFFFAOYSA-N 0 0 325.437 4.576 50 30 EJEARN COc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1C ZINC000022879404 522157747 /nfs/dbraw/zinc/15/77/47/522157747.db2.gz VAUUAKLAQCZELL-UHFFFAOYSA-N 0 0 347.439 4.717 50 30 EJEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000000346749 523467460 /nfs/dbraw/zinc/46/74/60/523467460.db2.gz ZOXYWGMSQNPVHV-PXLXIMEGSA-N 0 0 331.371 4.665 50 30 EJEARN C[C@H](CCC#N)Sc1nnc(-c2ccncc2)n1C1CCCCC1 ZINC000253416166 524115601 /nfs/dbraw/zinc/11/56/01/524115601.db2.gz GJJBFQKROMFSFC-CQSZACIVSA-N 0 0 341.484 4.630 50 30 EJEARN COc1ccccc1N[C@@H](C#N)c1ccccc1OCc1ccccc1 ZINC000000479572 524647583 /nfs/dbraw/zinc/64/75/83/524647583.db2.gz KYFXPHPBTUJULU-FQEVSTJZSA-N 0 0 344.414 4.951 50 30 in-vitro EJEARN CSc1ccc(/C=C\C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000033679681 525952049 /nfs/dbraw/zinc/95/20/49/525952049.db2.gz ASOFYVRQEGJUDN-MLPAPPSSSA-N 0 0 339.460 4.899 50 30 EJEARN Cc1csc(N=NCc2ccccc2OCc2ccc(F)cc2)n1 ZINC000004423930 526374901 /nfs/dbraw/zinc/37/49/01/526374901.db2.gz IJGBTRGLPBOGFE-KEBDBYFISA-N 0 0 341.411 4.616 50 30 EJEARN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 ZINC000033558663 527655912 /nfs/dbraw/zinc/65/59/12/527655912.db2.gz FNHVYURUALTEKK-NVNXTCNLSA-N 0 0 330.383 4.867 50 30 EJEARN Cc1ccc(C)c(C(=O)C=CNc2ccccc2Br)c1 ZINC000044844533 564027451 /nfs/dbraw/zinc/02/74/51/564027451.db2.gz SQSJZZGMVKSRBF-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN O=[N+]([O-])c1ccc(/C=N/CCSc2ccc(Cl)cc2)s1 ZINC000002161209 563424686 /nfs/dbraw/zinc/42/46/86/563424686.db2.gz YNOHIMAMOPQYQV-OQLLNIDSSA-N 0 0 326.830 4.521 50 30 EJEARN FC(F)(F)c1cc(Cl)cnc1N=NC1C2CC3CC(C2)CC1C3 ZINC000000126985 563236795 /nfs/dbraw/zinc/23/67/95/563236795.db2.gz GWHFCNAOVHYKOM-UHFFFAOYSA-N 0 0 343.780 4.978 50 30 EJEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3cccc(Cl)c3)C12 ZINC000000222683 563262624 /nfs/dbraw/zinc/26/26/24/563262624.db2.gz JPPVLLNZJXLHGA-LJQANCHMSA-N 0 0 349.821 4.712 50 30 EJEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Br)cc2)c1 ZINC000000283029 563272229 /nfs/dbraw/zinc/27/22/29/563272229.db2.gz QRGNUDCKSKOIAW-LZYBPNLTSA-N 0 0 339.576 4.761 50 30 EJEARN CCN(CC)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000288393 563273024 /nfs/dbraw/zinc/27/30/24/563273024.db2.gz OTXWBHWLPSMVRY-XDHOZWIPSA-N 0 0 331.803 4.845 50 30 EJEARN CCc1c(OC)ccc(/C=C2/Sc3ccccc3C2=O)c1OC ZINC000000315367 563282496 /nfs/dbraw/zinc/28/24/96/563282496.db2.gz RWXZZWYLKBUKRX-GZTJUZNOSA-N 0 0 326.417 4.596 50 30 EJEARN N#CCc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000000349888 563289039 /nfs/dbraw/zinc/28/90/39/563289039.db2.gz NLFCYAMKHKLHNV-UHFFFAOYSA-N 0 0 338.838 4.857 50 30 EJEARN CCOC(=O)c1c(/N=C/c2ccccc2OCC)sc2c1CCC2 ZINC000000561285 563347444 /nfs/dbraw/zinc/34/74/44/563347444.db2.gz ZYQMPKOPFMYBES-UDWIEESQSA-N 0 0 343.448 4.563 50 30 EJEARN Cc1ccc2c(c1)N[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001212203 563379538 /nfs/dbraw/zinc/37/95/38/563379538.db2.gz PEGCXMNGVWFZOM-NRFANRHFSA-N 0 0 348.446 4.923 50 30 EJEARN Nc1ccccc1NC1=CC(=O)C[C@@H](c2c(F)cccc2Cl)C1 ZINC000001382810 563384641 /nfs/dbraw/zinc/38/46/41/563384641.db2.gz CFJPTGZKEFDISY-NSHDSACASA-N 0 0 330.790 4.504 50 30 EJEARN O=C(O/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000002097689 563422412 /nfs/dbraw/zinc/42/24/12/563422412.db2.gz DRHRFNKHNJUZDY-AWQFTUOYSA-N 0 0 327.689 4.550 50 30 EJEARN O=C1c2ccccc2C(=O)C1=CN(c1ccccc1)c1ccccc1 ZINC000002561931 563441827 /nfs/dbraw/zinc/44/18/27/563441827.db2.gz TUIIGWUWFSQAEG-UHFFFAOYSA-N 0 0 325.367 4.788 50 30 EJEARN CCCOC(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000002891416 563462094 /nfs/dbraw/zinc/46/20/94/563462094.db2.gz IPOICTANDVXVTC-XDHOZWIPSA-N 0 0 346.224 4.767 50 30 EJEARN C=CCSC1=N/C(=C\c2c(OC)ccc3ccccc32)C(=O)S1 ZINC000003001291 563469144 /nfs/dbraw/zinc/46/91/44/563469144.db2.gz FQJJTWDWTBGCPZ-PTNGSMBKSA-N 0 0 341.457 4.738 50 30 EJEARN CC(=O)c1ccc(N=Nc2ccc3c(c2)CCCN3CCC#N)cc1 ZINC000004344379 563500855 /nfs/dbraw/zinc/50/08/55/563500855.db2.gz QNLQHQKMUZHALZ-GHVJWSGMSA-N 0 0 332.407 4.971 50 30 EJEARN O=[N+]([O-])c1ccc(/C(=N/O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000004991738 563517829 /nfs/dbraw/zinc/51/78/29/563517829.db2.gz FLOLJUDEJGJPFB-VXPUYCOJSA-N 0 0 345.443 4.698 50 30 EJEARN C=CCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000005068298 563520508 /nfs/dbraw/zinc/52/05/08/563520508.db2.gz IMKKDIWBOYEYGI-DHZHZOJOSA-N 0 0 343.220 4.910 50 30 EJEARN CC(=O)C(=NNc1cccc(C)c1)Nc1ccc(Cl)cc1Cl ZINC000005747820 563548809 /nfs/dbraw/zinc/54/88/09/563548809.db2.gz WSFBNPDKDYPWBO-UHFFFAOYSA-N 0 0 336.222 4.538 50 30 EJEARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccccn1 ZINC000012796145 563672782 /nfs/dbraw/zinc/67/27/82/563672782.db2.gz LJDKWXGSCFJBFK-UHFFFAOYSA-N 0 0 331.400 4.995 50 30 EJEARN C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000013685109 563710800 /nfs/dbraw/zinc/71/08/00/563710800.db2.gz OTPUAQIJMOJQBS-SNVBAGLBSA-N 0 0 340.370 4.886 50 30 EJEARN COc1ccc(NC(=S)Nc2cccc3ccccc32)cc1OC ZINC000013935011 563731340 /nfs/dbraw/zinc/73/13/40/563731340.db2.gz GZFWWWWXGSGYFQ-UHFFFAOYSA-N 0 0 338.432 4.886 50 30 EJEARN CN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000032796563 563737660 /nfs/dbraw/zinc/73/76/60/563737660.db2.gz MNVRLYZSRGESPR-UHFFFAOYSA-N 0 0 338.476 4.551 50 30 EJEARN COc1cc(Cl)cc(/C=N\c2sc3c(c2C#N)CCCC3)c1O ZINC000015938608 563800347 /nfs/dbraw/zinc/80/03/47/563800347.db2.gz TULZPOYSZDDDQQ-UKWGHVSLSA-N 0 0 346.839 4.617 50 30 EJEARN Cn1cc(/C=C/C(=O)/C=C/c2cn(C)c3ccccc23)c2ccccc21 ZINC000000231431 563838149 /nfs/dbraw/zinc/83/81/49/563838149.db2.gz KNIWOYJXHOMWEK-PHEQNACWSA-N 0 0 340.426 4.966 50 30 EJEARN O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3Cl)o2)N1O ZINC000000373610 563841632 /nfs/dbraw/zinc/84/16/32/563841632.db2.gz HXANJCRVWXWNML-QGZVFWFLSA-N 0 0 340.766 4.556 50 30 EJEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)s3)S2)c1 ZINC000018255109 563852015 /nfs/dbraw/zinc/85/20/15/563852015.db2.gz IIYZQLNQKNYCAE-WQLSENKSSA-N 0 0 334.853 4.602 50 30 EJEARN C=CCCOc1ccc(OC(=O)c2ccc(OCCC=C)cc2)cc1 ZINC000003108548 563912459 /nfs/dbraw/zinc/91/24/59/563912459.db2.gz GATJFAOWTVFOGS-UHFFFAOYSA-N 0 0 338.403 4.816 50 30 EJEARN CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(C#N)cc1Cl ZINC000072302482 563914253 /nfs/dbraw/zinc/91/42/53/563914253.db2.gz RKXRFNMAVDAXLN-WMZOPIPTSA-N 0 0 325.843 4.688 50 30 EJEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2Cl)cc1-c1cccnc1 ZINC000033524523 563916138 /nfs/dbraw/zinc/91/61/38/563916138.db2.gz OIJKHMJIEDOFNW-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN N#Cc1c(N)nc(-c2ccc(Cl)c(Cl)c2)cc1-c1cccnc1 ZINC000033642755 563916339 /nfs/dbraw/zinc/91/63/39/563916339.db2.gz JODWIXHGWFYDBN-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1C ZINC000034210737 563916794 /nfs/dbraw/zinc/91/67/94/563916794.db2.gz FYPPZDRNGWYFTL-VCHYOVAHSA-N 0 0 347.443 4.676 50 30 EJEARN Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1Cl ZINC000044835842 563926696 /nfs/dbraw/zinc/92/66/96/563926696.db2.gz JYLRSAHSLXCAHM-REZTVBANSA-N 0 0 328.568 4.698 50 30 EJEARN CC(=O)N(/C=C\C=C\C=C1/Sc2ccccc2C1=O)c1ccccc1 ZINC000013571739 563930201 /nfs/dbraw/zinc/93/02/01/563930201.db2.gz XNTRBVIDEXYJQL-QOPTXWDBSA-N 0 0 347.439 4.982 50 30 EJEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000013733983 563932577 /nfs/dbraw/zinc/93/25/77/563932577.db2.gz LVHKDYCKMFWSST-OAHLLOKOSA-N 0 0 349.217 4.854 50 30 EJEARN CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccccc2C#N)O1 ZINC000013756715 563932615 /nfs/dbraw/zinc/93/26/15/563932615.db2.gz AXGFRCQJTXXMKQ-SKLSXVDLSA-N 0 0 330.387 4.968 50 30 EJEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3cccc4ccccc43)nc2C#N)C1 ZINC000013787005 563933232 /nfs/dbraw/zinc/93/32/32/563933232.db2.gz JVYXTMIZQPVKBJ-GASCZTMLSA-N 0 0 331.419 4.849 50 30 EJEARN N#C[C@@H](C(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000058285432 563941772 /nfs/dbraw/zinc/94/17/72/563941772.db2.gz HSODHSICZRGEGT-ZDUSSCGKSA-N 0 0 347.201 4.533 50 30 EJEARN N#C[C@@H](C(=O)Nc1cccc2ccccc21)c1nc2ccccc2s1 ZINC000058293369 563941857 /nfs/dbraw/zinc/94/18/57/563941857.db2.gz ZSFHGIMOSRQTKJ-HNNXBMFYSA-N 0 0 343.411 4.695 50 30 EJEARN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(O)c1 ZINC000254287794 563950428 /nfs/dbraw/zinc/95/04/28/563950428.db2.gz AUANPDRAXNBDPG-UHFFFAOYSA-N 0 0 342.851 4.994 50 30 EJEARN COc1ccccc1[C@H](C#N)N(C(=O)c1ccccc1)c1ccccc1 ZINC000071770845 563965662 /nfs/dbraw/zinc/96/56/62/563965662.db2.gz OMKHQWIATHKKCX-FQEVSTJZSA-N 0 0 342.398 4.607 50 30 EJEARN CCCCCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097965667 563967779 /nfs/dbraw/zinc/96/77/79/563967779.db2.gz MOELZJRPNLDIRU-SDNWHVSQSA-N 0 0 342.527 4.595 50 30 EJEARN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)cc1OC ZINC000000066931 563971763 /nfs/dbraw/zinc/97/17/63/563971763.db2.gz TXCHRCYRLITQHS-OVMKCGGTSA-N 0 0 340.448 4.512 50 30 EJEARN C#CCOc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271145 563971790 /nfs/dbraw/zinc/97/17/90/563971790.db2.gz PTWGPDLHKUZMIL-VJBMBRPKSA-N 0 0 347.458 4.950 50 30 EJEARN Cc1ccc(O)c([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000090267 563976526 /nfs/dbraw/zinc/97/65/26/563976526.db2.gz QEHZDRWLINJKEE-NRFANRHFSA-N 0 0 348.446 4.923 50 30 EJEARN CCCCCCCCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000097950861 563982139 /nfs/dbraw/zinc/98/21/39/563982139.db2.gz CAQMWPQNCXPVRA-UHFFFAOYSA-N 0 0 336.432 4.962 50 30 EJEARN O=C(C=CNc1ccc(Cl)cc1)c1ccc(OCCCF)cc1 ZINC000100418653 563982607 /nfs/dbraw/zinc/98/26/07/563982607.db2.gz AUBMFVYEKTYSKM-ZRDIBKRKSA-N 0 0 333.790 4.887 50 30 EJEARN CCc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000014115555 563983244 /nfs/dbraw/zinc/98/32/44/563983244.db2.gz VKZCPNRIIJZRAP-UHFFFAOYSA-N 0 0 325.411 4.901 50 30 EJEARN Cc1cc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 ZINC000000177408 563987696 /nfs/dbraw/zinc/98/76/96/563987696.db2.gz NMNXVJNQGYDJPM-LLVKDONJSA-N 0 0 338.476 4.922 50 30 EJEARN N#Cc1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000000191253 563988131 /nfs/dbraw/zinc/98/81/31/563988131.db2.gz BPLQCJXXAQQYJA-UHFFFAOYSA-N 0 0 329.384 4.573 50 30 EJEARN CC(=O)N(c1cc(Cl)ccc1Cl)c1nc(C)cc(C)c1C#N ZINC000000241024 563989085 /nfs/dbraw/zinc/98/90/85/563989085.db2.gz XRWXZCWDHZANEL-UHFFFAOYSA-N 0 0 334.206 4.562 50 30 EJEARN COc1ccc(C(=O)On2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000000239636 563989096 /nfs/dbraw/zinc/98/90/96/563989096.db2.gz IGWYMEZRSKHZOV-UHFFFAOYSA-N 0 0 343.382 4.586 50 30 EJEARN CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(Cl)cc1)S2 ZINC000100233009 563990205 /nfs/dbraw/zinc/99/02/05/563990205.db2.gz OOENDEXJIZTUIO-GZTJUZNOSA-N 0 0 345.851 4.658 50 30 EJEARN Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000004980003 563993577 /nfs/dbraw/zinc/99/35/77/563993577.db2.gz AKGRNXNTTLFIIQ-MRXNPFEDSA-N 0 0 341.480 4.573 50 30 EJEARN N#CCCSc1ccccc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000124008498 563995088 /nfs/dbraw/zinc/99/50/88/563995088.db2.gz RSJLWRCJJSGRLF-CQSZACIVSA-N 0 0 342.489 4.812 50 30 EJEARN COc1ccc(-c2ccc(C3(C#N)CCCC3)cc2)c(OC)c1OC ZINC000426478975 563995760 /nfs/dbraw/zinc/99/57/60/563995760.db2.gz OKTRUIBWGJCQPB-UHFFFAOYSA-N 0 0 337.419 4.715 50 30 EJEARN N#Cc1c2c(sc1N=Cc1c[nH]nc1-c1ccccc1)CCCC2 ZINC000000132868 563996065 /nfs/dbraw/zinc/99/60/65/563996065.db2.gz KFIRXJJUGJRCSR-SRZZPIQSSA-N 0 0 332.432 4.639 50 30 EJEARN C[C@H]1CN(C(=O)c2ccccc2F)C(=Nc2ccccc2Cl)S1 ZINC000252642535 563998046 /nfs/dbraw/zinc/99/80/46/563998046.db2.gz ZNBKDZHODAQBRP-NSHDSACASA-N 0 0 348.830 4.744 50 30 EJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1C ZINC000000428108 563998859 /nfs/dbraw/zinc/99/88/59/563998859.db2.gz QGVCDIKDCBGORG-IRLDBZIGSA-N 0 0 348.442 4.623 50 30 EJEARN COc1cccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C#N)c1 ZINC000005263692 564001693 /nfs/dbraw/zinc/00/16/93/564001693.db2.gz FGZHMTLUOPSVDS-AWEZNQCLSA-N 0 0 335.432 4.552 50 30 EJEARN CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)c2c1CCCC2 ZINC000005386443 564003333 /nfs/dbraw/zinc/00/33/33/564003333.db2.gz XJXDUFIQCDIXIN-UHFFFAOYSA-N 0 0 348.475 4.563 50 30 EJEARN CC(C)CCNc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000005453728 564004258 /nfs/dbraw/zinc/00/42/58/564004258.db2.gz MKCBANYWVZNAIA-UHFFFAOYSA-N 0 0 332.451 4.696 50 30 EJEARN COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000007714223 564006885 /nfs/dbraw/zinc/00/68/85/564006885.db2.gz YCAMVLWNEISMGQ-IZZDOVSWSA-N 0 0 340.419 4.732 50 30 EJEARN CSc1nc(C)nc(Sc2cccc(C(F)(F)F)c2)c1C#N ZINC000000132123 564013695 /nfs/dbraw/zinc/01/36/95/564013695.db2.gz XHTXJDHHYFOGKY-UHFFFAOYSA-N 0 0 341.383 4.549 50 30 EJEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000000503349 564019170 /nfs/dbraw/zinc/01/91/70/564019170.db2.gz OGJJJSOVHLFSFT-FYJGNVAPSA-N 0 0 342.358 4.660 50 30 EJEARN CCCCCCCCC(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000102256954 564019956 /nfs/dbraw/zinc/01/99/56/564019956.db2.gz MOELZJRPNLDIRU-KAMYIIQDSA-N 0 0 342.527 4.595 50 30 EJEARN Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1ccccc1O ZINC000000510267 564020083 /nfs/dbraw/zinc/02/00/83/564020083.db2.gz OPRBEUHVCMBMCC-WSDLNYQXSA-N 0 0 329.359 4.654 50 30 EJEARN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1 ZINC000000551025 564022889 /nfs/dbraw/zinc/02/28/89/564022889.db2.gz FGJJXBGAJHEEMU-UHFFFAOYSA-N 0 0 347.237 4.556 50 30 EJEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OC)cc2)cc1 ZINC000044842945 564027416 /nfs/dbraw/zinc/02/74/16/564027416.db2.gz AFTSRBFQFOXTSF-BUHFOSPRSA-N 0 0 325.408 4.683 50 30 EJEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(Br)cc2)c1 ZINC000044844538 564027471 /nfs/dbraw/zinc/02/74/71/564027471.db2.gz CHQDKMKQVKATEX-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN C=CCN(Cc1cccs1)c1ncnc2sc3c(c21)CCCC3 ZINC000006550904 564033188 /nfs/dbraw/zinc/03/31/88/564033188.db2.gz MFTXZKBWXQCGKR-UHFFFAOYSA-N 0 0 341.505 4.824 50 30 EJEARN C=CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OCC ZINC000002860780 564036033 /nfs/dbraw/zinc/03/60/33/564036033.db2.gz PSTZDFKKZLDUFO-UHFFFAOYSA-N 0 0 331.843 4.593 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1C ZINC000225508698 564047397 /nfs/dbraw/zinc/04/73/97/564047397.db2.gz GOXFOZHETZOCLE-RBBKRZOGSA-N 0 0 348.442 4.623 50 30 EJEARN CSc1ccc(/C=C/c2c(C#N)c(=O)oc3ccc(C)cc32)cc1 ZINC000001016435 564054071 /nfs/dbraw/zinc/05/40/71/564054071.db2.gz JAMFHWMYUYASFO-RMKNXTFCSA-N 0 0 333.412 4.865 50 30 EJEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C(F)(F)F)sc2C1 ZINC000002749088 564054535 /nfs/dbraw/zinc/05/45/35/564054535.db2.gz HSNQGAACGGYDRH-VIFPVBQESA-N 0 0 344.402 4.662 50 30 EJEARN COc1cccc(/C=C2/CCC/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000083295030 564063020 /nfs/dbraw/zinc/06/30/20/564063020.db2.gz QZHAPKOWNOKGFV-BKHHGCLFSA-N 0 0 334.415 4.924 50 30 EJEARN Cc1cccc(C)c1NC=CC(=O)c1ccc(Br)cc1 ZINC000032100168 564063252 /nfs/dbraw/zinc/06/32/52/564063252.db2.gz HYUSWDJEJRJKQS-ZHACJKMWSA-N 0 0 330.225 4.874 50 30 EJEARN Cn1ccc2c1c(C#N)c1ccccc1c2NC(=O)Nc1ccccc1 ZINC000001397376 564064723 /nfs/dbraw/zinc/06/47/23/564064723.db2.gz GCYJWXWZUTVYPZ-UHFFFAOYSA-N 0 0 340.386 4.847 50 30 EJEARN O=C(O/N=C1\CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000001396232 564064858 /nfs/dbraw/zinc/06/48/58/564064858.db2.gz QNHWOHNETIBWSW-CAPFRKAQSA-N 0 0 334.202 4.891 50 30 EJEARN O=C(/C=C/c1ccc2c(c1)OCO2)CCc1c(Cl)cccc1Cl ZINC000001405027 564065151 /nfs/dbraw/zinc/06/51/51/564065151.db2.gz DGGGLCLFBBZWBI-GQCTYLIASA-N 0 0 349.213 4.937 50 30 EJEARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1(C)C ZINC000084671114 564069584 /nfs/dbraw/zinc/06/95/84/564069584.db2.gz LTWQZVNMZDTDFL-NHCUHLMSSA-N 0 0 344.458 4.658 50 30 EJEARN C=CCn1c(=S)[nH]nc1CSCc1ccc(Cl)cc1Cl ZINC000005817016 564070622 /nfs/dbraw/zinc/07/06/22/564070622.db2.gz IHIZOFJAGOODGI-UHFFFAOYSA-N 0 0 346.308 4.867 50 30 EJEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3 ZINC000000477453 564074583 /nfs/dbraw/zinc/07/45/83/564074583.db2.gz QNZMPJRSPMFHDV-UHFFFAOYSA-N 0 0 346.521 4.581 50 30 EJEARN C=C(C)CSc1nc(CC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000000550053 564074607 /nfs/dbraw/zinc/07/46/07/564074607.db2.gz PYEOGIQUKAUIRJ-UHFFFAOYSA-N 0 0 334.510 4.773 50 30 EJEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000615016 564075005 /nfs/dbraw/zinc/07/50/05/564075005.db2.gz IWCDTAYCRYDIHT-UHFFFAOYSA-N 0 0 342.851 4.707 50 30 EJEARN COc1cc(OC)c(/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000043761152 564076194 /nfs/dbraw/zinc/07/61/94/564076194.db2.gz RCVRDJAFRLBACG-WYRDDRIESA-N 0 0 346.770 4.681 50 30 EJEARN C=CCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000006173651 564077227 /nfs/dbraw/zinc/07/72/27/564077227.db2.gz UKMPOQHANVLZEA-UHFFFAOYSA-N 0 0 341.414 4.607 50 30 biogenic EJEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006549222 564079309 /nfs/dbraw/zinc/07/93/09/564079309.db2.gz WQNVUQSPZOJMCQ-RUDMXATFSA-N 0 0 335.186 4.676 50 30 EJEARN CN(C)c1ccc(/N=C2\Sc3ccc4ccccc4c3C2=O)cc1 ZINC000016309897 564081831 /nfs/dbraw/zinc/08/18/31/564081831.db2.gz KNCBHTMGCKZVOI-MRCUWXFGSA-N 0 0 332.428 4.924 50 30 EJEARN Cc1ccccc1[C@@H]1[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N ZINC000006238692 564083187 /nfs/dbraw/zinc/08/31/87/564083187.db2.gz UBBBGSCFVIIMPQ-XAUDKBNISA-N 0 0 344.458 4.527 50 30 EJEARN C=CCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000001775129 564087483 /nfs/dbraw/zinc/08/74/83/564087483.db2.gz NKUSKIGSCNEXSL-UHFFFAOYSA-N 0 0 338.480 4.669 50 30 EJEARN N#C[C@H](c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000239412440 564088113 /nfs/dbraw/zinc/08/81/13/564088113.db2.gz SRQRABGFISPHTD-XZOQPEGZSA-N 0 0 337.426 5.103 50 30 EJEARN CC(=O)C1=C(C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497336 564089477 /nfs/dbraw/zinc/08/94/77/564089477.db2.gz WYOKDIKHIXWWOC-ITGARAMISA-N 0 0 328.496 4.826 50 30 biogenic EJEARN C=C(Cl)CSc1nnc(Nc2ccccc2OCC)s1 ZINC000006510342 564091273 /nfs/dbraw/zinc/09/12/73/564091273.db2.gz PFJSZHPCOOPACH-UHFFFAOYSA-N 0 0 327.862 4.525 50 30 EJEARN CCOc1ccc(Nc2oc(/C=C/c3cccs3)nc2C#N)cc1 ZINC000006870464 564100149 /nfs/dbraw/zinc/10/01/49/564100149.db2.gz BBTGILJYTIFZNA-MDZDMXLPSA-N 0 0 337.404 4.920 50 30 EJEARN CC(C)n1c(S[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl ZINC000007058863 564104009 /nfs/dbraw/zinc/10/40/09/564104009.db2.gz ZKUYNVJURIWEJR-VIFPVBQESA-N 0 0 341.267 4.837 50 30 EJEARN C=CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000014221861 564112310 /nfs/dbraw/zinc/11/23/10/564112310.db2.gz XBRKGSLFKFPCSA-CCEZHUSRSA-N 0 0 344.414 4.621 50 30 EJEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 ZINC000016741588 564112987 /nfs/dbraw/zinc/11/29/87/564112987.db2.gz WXEGPUVRIYFEID-UHFFFAOYSA-N 0 0 327.746 4.618 50 30 EJEARN C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Br)o1 ZINC000193039262 564116612 /nfs/dbraw/zinc/11/66/12/564116612.db2.gz JOJHIISJKFCYPU-GXTWGEPZSA-N 0 0 333.229 4.738 50 30 EJEARN CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=Nc1ccccc1 ZINC000252605797 564121261 /nfs/dbraw/zinc/12/12/61/564121261.db2.gz GLZWWWRACRQACE-INAUIHPSSA-N 0 0 334.444 4.867 50 30 EJEARN Cc1ccc2oc(-c3ccc(N=Cc4ccncc4)cc3O)nc2c1 ZINC000252605868 564121280 /nfs/dbraw/zinc/12/12/80/564121280.db2.gz GNSNXJFAYDGSBU-UHFFFAOYSA-N 0 0 329.359 4.654 50 30 EJEARN CCn1c2cc(C)c(C)cc2nc1N=Cc1cc(Cl)ccc1O ZINC000252633815 564124485 /nfs/dbraw/zinc/12/44/85/564124485.db2.gz WGWADRDRPIJSPJ-UHFFFAOYSA-N 0 0 327.815 4.783 50 30 EJEARN C=CCN=c1sc2c(n1-c1ccc(C)cc1)-c1ccccc1CC2 ZINC000252670712 564124790 /nfs/dbraw/zinc/12/47/90/564124790.db2.gz LNERMLLZURZELE-UHFFFAOYSA-N 0 0 332.472 4.700 50 30 EJEARN CC(C)c1cc(N2CCC(C)CC2)n2c3ccccc3nc2c1C#N ZINC000000091866 564132807 /nfs/dbraw/zinc/13/28/07/564132807.db2.gz XYAQAHDYWKMHNG-UHFFFAOYSA-N 0 0 332.451 4.719 50 30 EJEARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c1 ZINC000000191256 564133004 /nfs/dbraw/zinc/13/30/04/564133004.db2.gz ZWWMWLOGEMIHSL-UHFFFAOYSA-N 0 0 333.416 4.551 50 30 EJEARN N#Cc1ccccc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000285754 564133095 /nfs/dbraw/zinc/13/30/95/564133095.db2.gz PGPLDYHRFMGCLJ-HXUWFJFHSA-N 0 0 338.410 4.503 50 30 EJEARN N#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000000316568 564133128 /nfs/dbraw/zinc/13/31/28/564133128.db2.gz SCEZHJHFMUMVQA-UHFFFAOYSA-N 0 0 346.342 4.838 50 30 EJEARN COc1ccc(-c2ccc(C#N)c(SCc3ccccc3)n2)cc1 ZINC000000377247 564133143 /nfs/dbraw/zinc/13/31/43/564133143.db2.gz RCQXAWNJEHBTFP-UHFFFAOYSA-N 0 0 332.428 4.921 50 30 EJEARN N#Cc1cccc(Oc2cccc(-c3cnc4ccccc4n3)c2)c1C#N ZINC000000453228 564133283 /nfs/dbraw/zinc/13/32/83/564133283.db2.gz LJWKRFACEQDQQA-UHFFFAOYSA-N 0 0 348.365 4.832 50 30 EJEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1Cl ZINC000000615585 564133481 /nfs/dbraw/zinc/13/34/81/564133481.db2.gz QILJFKGECIARDJ-AATRIKPKSA-N 0 0 349.173 4.691 50 30 EJEARN CCNN=C1CC(C)(C)Cc2[nH]c(CC)c3c4ccccc4nc-3c21 ZINC000012653071 564135419 /nfs/dbraw/zinc/13/54/19/564135419.db2.gz MQMWYMSKSPEMMK-KOEQRZSOSA-N 0 0 334.467 4.565 50 30 biogenic EJEARN C[C@@H](NC(=O)Cc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587234 564136560 /nfs/dbraw/zinc/13/65/60/564136560.db2.gz KUOGYETWFKYMJK-MRXNPFEDSA-N 0 0 341.414 4.880 50 30 EJEARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1cc(C#N)ccn1 ZINC000078754389 564137071 /nfs/dbraw/zinc/13/70/71/564137071.db2.gz WEJIWRKQDOOCKC-AWEZNQCLSA-N 0 0 339.464 4.504 50 30 EJEARN CC(C)(CCC#N)CNc1cccc(CSC2CCOCC2)c1 ZINC000095429211 564140299 /nfs/dbraw/zinc/14/02/99/564140299.db2.gz YYABCUKYAVJRKH-UHFFFAOYSA-N 0 0 332.513 4.841 50 30 EJEARN Cc1ccc(-c2cc(N3CCCC3)c(C#N)c3c2CSCC3)cc1 ZINC000096319431 564146699 /nfs/dbraw/zinc/14/66/99/564146699.db2.gz YUYWHJZCDFKCFV-UHFFFAOYSA-N 0 0 334.488 4.923 50 30 EJEARN CCOc1ccc(Nc2oc([C@H]3C[C@H]3c3ccccc3)nc2C#N)cc1 ZINC000096346057 564146835 /nfs/dbraw/zinc/14/68/35/564146835.db2.gz DBHIOJJMYGKNKW-ROUUACIJSA-N 0 0 345.402 4.960 50 30 EJEARN C=C(C)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000002623027 564151236 /nfs/dbraw/zinc/15/12/36/564151236.db2.gz GYJOYBRTSQCCRZ-UHFFFAOYSA-N 0 0 337.448 4.611 50 30 EJEARN CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 ZINC000002748032 564152387 /nfs/dbraw/zinc/15/23/87/564152387.db2.gz SEIGAFFUOCLZPJ-GJZGRUSLSA-N 0 0 334.345 4.538 50 30 EJEARN N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000002765829 564152479 /nfs/dbraw/zinc/15/24/79/564152479.db2.gz RMONXVYIYWHKFM-JKSUJKDBSA-N 0 0 336.460 4.631 50 30 EJEARN N#Cc1cn(CCCCn2cc(C#N)c3ccccc32)c2ccccc12 ZINC000002838665 564152811 /nfs/dbraw/zinc/15/28/11/564152811.db2.gz GTGMLKJJWUGVAC-UHFFFAOYSA-N 0 0 338.414 4.820 50 30 EJEARN CC[C@H](C)c1ccc(OCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000002857324 564152865 /nfs/dbraw/zinc/15/28/65/564152865.db2.gz MXHUVYTYDPWYJB-LBPRGKRZSA-N 0 0 342.464 4.768 50 30 EJEARN N#Cc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)c(F)c1 ZINC000057604262 564155127 /nfs/dbraw/zinc/15/51/27/564155127.db2.gz IJFMHFCIEVICPI-KRWDZBQOSA-N 0 0 337.423 4.644 50 30 EJEARN N#Cc1ccc(F)c(CN2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000057661255 564155395 /nfs/dbraw/zinc/15/53/95/564155395.db2.gz MVALXMGLPUEYIU-KRWDZBQOSA-N 0 0 337.423 4.644 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)s3)sc2C1 ZINC000003306445 564157206 /nfs/dbraw/zinc/15/72/06/564157206.db2.gz IXYBXBGHUYGHCV-QMMMGPOBSA-N 0 0 336.869 4.712 50 30 EJEARN N#Cc1c(F)cccc1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000058421263 564159105 /nfs/dbraw/zinc/15/91/05/564159105.db2.gz OKFBUTMTMDCXMN-UHFFFAOYSA-N 0 0 337.329 4.636 50 30 EJEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000004175521 564161010 /nfs/dbraw/zinc/16/10/10/564161010.db2.gz IXARJRDTHMQGLG-QJOMJCCJSA-N 0 0 332.432 4.767 50 30 EJEARN CC(C)c1nnc(SCc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000004184783 564161067 /nfs/dbraw/zinc/16/10/67/564161067.db2.gz QIKSMXFXHYOCSA-UHFFFAOYSA-N 0 0 334.448 4.555 50 30 EJEARN N#Cc1ccccc1Cn1c2ccccc2nc1NCc1ccccc1 ZINC000007989840 564161979 /nfs/dbraw/zinc/16/19/79/564161979.db2.gz WQMPFUGTFOGYST-UHFFFAOYSA-N 0 0 338.414 4.568 50 30 EJEARN CC(C)(C)[C@@H]1C/C(=C\c2ccccn2)C(=O)/C(=C\c2ccccn2)C1 ZINC000245296594 564169019 /nfs/dbraw/zinc/16/90/19/564169019.db2.gz LSJAFGPDIQTRTL-VEKAOTLUSA-N 0 0 332.447 4.969 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1 ZINC000051318875 214088724 /nfs/dbraw/zinc/08/87/24/214088724.db2.gz PVWFAPVAVNUVFN-ZHACJKMWSA-N 0 0 335.325 4.913 50 30 EJEARN CCOc1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1 ZINC000051318873 214088917 /nfs/dbraw/zinc/08/89/17/214088917.db2.gz BMWTUMHQYYYDLP-VAWYXSNFSA-N 0 0 335.325 4.913 50 30 EJEARN N#C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)=N1 ZINC000004735719 210264279 /nfs/dbraw/zinc/26/42/79/210264279.db2.gz ZDCYLRRMEQQFBM-KRWDZBQOSA-N 0 0 330.218 4.668 50 30 EJEARN CCCCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004738300 210263948 /nfs/dbraw/zinc/26/39/48/210263948.db2.gz BKTMDJRUUHNALO-SDXDJHTJSA-N 0 0 342.355 4.509 50 30 EJEARN Cc1cccc(NC(=S)N/N=C\c2cccc3ccccc23)c1C ZINC000004695429 210250508 /nfs/dbraw/zinc/25/05/08/210250508.db2.gz CCXZOHXNUKTQOZ-BKUYFWCQSA-N 0 0 333.460 4.777 50 30 EJEARN C=CCOc1c(Cl)cc(CN(C)[C@@H](C)c2ccon2)cc1Cl ZINC000055196813 214287290 /nfs/dbraw/zinc/28/72/90/214287290.db2.gz YZVOFUASWZQCDC-NSHDSACASA-N 0 0 341.238 4.739 50 30 EJEARN CCCCCCCNC(=O)CCCCC(=O)NCCCCCCC ZINC000097940267 219060431 /nfs/dbraw/zinc/06/04/31/219060431.db2.gz UVGQOCHIIWOWJD-UHFFFAOYSA-N 0 0 340.552 4.720 50 30 EJEARN Cc1ccc(C(=O)/C=C\C(Cl)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000098009178 219067820 /nfs/dbraw/zinc/06/78/20/219067820.db2.gz UBQZKVXFGLBCSM-XCPYIMEESA-N 0 0 327.767 4.922 50 30 EJEARN C=CCCCC(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004614294 210232253 /nfs/dbraw/zinc/23/22/53/210232253.db2.gz HCQZPIIGHVJNRF-UHFFFAOYSA-N 0 0 330.497 4.906 50 30 EJEARN Cn1ncc2c1CC/C(=C/c1ccc(-c3cccs3)cc1F)C2=O ZINC000098055007 219074136 /nfs/dbraw/zinc/07/41/36/219074136.db2.gz PUKRXQLEDVNKOZ-ZROIWOOFSA-N 0 0 338.407 4.500 50 30 EJEARN CC1(C)CC(=O)C=C(Nc2ccc(Br)cc2Cl)C1 ZINC000004600209 210230575 /nfs/dbraw/zinc/23/05/75/210230575.db2.gz YQZVMYYHBBUSSS-UHFFFAOYSA-N 0 0 328.637 4.787 50 30 EJEARN CCSC1=N/C(=C\C=C2/N(C)c3ccccc3C2(C)C)C(=O)S1 ZINC000004579123 210224500 /nfs/dbraw/zinc/22/45/00/210224500.db2.gz UQQJMUWHPMMXCE-BDXDCFHCSA-N 0 0 344.505 4.564 50 30 EJEARN COc1ccc(/C(C)=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000004567466 210223654 /nfs/dbraw/zinc/22/36/54/210223654.db2.gz VNPORDOLVJYVGX-CIAFOILYSA-N 0 0 340.448 4.656 50 30 EJEARN Cc1sc(NC(=O)c2cc(Cl)sc2Cl)c(C#N)c1C ZINC000004570346 210223767 /nfs/dbraw/zinc/22/37/67/210223767.db2.gz VYRBFJOZAZIBAB-UHFFFAOYSA-N 0 0 331.249 4.857 50 30 EJEARN O=C1c2ccccc2SC1=CNc1ccc(Br)cc1 ZINC000100056621 219090204 /nfs/dbraw/zinc/09/02/04/219090204.db2.gz FLXVGCFOOISSPN-NTEUORMPSA-N 0 0 332.222 4.691 50 30 EJEARN O=C1c2ccccc2SC1=CNc1ccc(Br)cc1 ZINC000100056623 219090209 /nfs/dbraw/zinc/09/02/09/219090209.db2.gz FLXVGCFOOISSPN-ZROIWOOFSA-N 0 0 332.222 4.691 50 30 EJEARN COc1cccc2c1CC/C(=C\c1ccc(Br)cc1)C2=O ZINC000004507863 210208868 /nfs/dbraw/zinc/20/88/68/210208868.db2.gz HQXNNTXMORBHOT-ACCUITESSA-N 0 0 343.220 4.670 50 30 EJEARN CC1(C)CC(=O)C(=NNc2ccc(N=Nc3ccccc3)cc2)C(=O)C1 ZINC000004507940 210208539 /nfs/dbraw/zinc/20/85/39/210208539.db2.gz ABOCDJYNTQAPQI-QURGRASLSA-N 0 0 348.406 4.828 50 30 EJEARN COc1cc(Br)cc(/C=N\c2cccc(Cl)c2)c1O ZINC000100318834 219096854 /nfs/dbraw/zinc/09/68/54/219096854.db2.gz ZFGDUQUWBSTUBM-IUXPMGMMSA-N 0 0 340.604 4.567 50 30 EJEARN O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cc(Cl)sc1Cl ZINC000100482267 219100345 /nfs/dbraw/zinc/10/03/45/219100345.db2.gz VYXLHTVCPLTPKI-SNAWJCMRSA-N 0 0 343.191 4.772 50 30 EJEARN O=C1c2ccccc2S/C1=C1\Nc2ccc3ccccc3c2C1=O ZINC000100573292 219101823 /nfs/dbraw/zinc/10/18/23/219101823.db2.gz FVFUZHQCLPLHOF-JZJYNLBNSA-N 0 0 329.380 4.648 50 30 EJEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccccc1 ZINC000100715777 219105057 /nfs/dbraw/zinc/10/50/57/219105057.db2.gz VDWMFAALTYCWIK-VHEBQXMUSA-N 0 0 337.404 4.543 50 30 EJEARN CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100987810 219112887 /nfs/dbraw/zinc/11/28/87/219112887.db2.gz GOBXGXKHBANQPA-WGGXDPCSSA-N 0 0 328.824 4.574 50 30 EJEARN C=CCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 ZINC000004365836 210180816 /nfs/dbraw/zinc/18/08/16/210180816.db2.gz RQGWGYPNZNVJPO-UHFFFAOYSA-N 0 0 337.448 4.529 50 30 EJEARN C=CCC1=C(O)C(=C2Sc3ccccc3N2CC)SC1=S ZINC000101196446 219118606 /nfs/dbraw/zinc/11/86/06/219118606.db2.gz UPCZEHCWRAYRMR-ZEIZSXSISA-N 0 0 333.503 4.623 50 30 EJEARN C=CCS/C(=N\c1ccccc1)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000004334432 210172996 /nfs/dbraw/zinc/17/29/96/210172996.db2.gz HZILCQONIALCAS-AYAKEVCGSA-N 0 0 332.432 4.819 50 30 EJEARN Cc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O ZINC000004181463 210141093 /nfs/dbraw/zinc/14/10/93/210141093.db2.gz DGFMQJFIJQQQER-YDZHTSKRSA-N 0 0 348.377 4.843 50 30 EJEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCCC)CCCC3 ZINC000004141974 210131028 /nfs/dbraw/zinc/13/10/28/210131028.db2.gz FCSZKPARJOWWOY-UHFFFAOYSA-N 0 0 348.537 4.805 50 30 EJEARN CC(C)Cn1c(C=NN=c2[nH]c3ccccc3s2)nc2ccccc21 ZINC000004115904 210123386 /nfs/dbraw/zinc/12/33/86/210123386.db2.gz XGOXAVLRTRGISD-RGVLZGJSSA-N 0 0 349.463 4.748 50 30 EJEARN CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004082192 210115199 /nfs/dbraw/zinc/11/51/99/210115199.db2.gz WYOKDIKHIXWWOC-LXIBVNSESA-N 0 0 328.496 4.826 50 30 biogenic EJEARN Cn1c(Cl)c(/C=N/OC(=O)c2ccccc2Cl)c2ccccc21 ZINC000004051489 210109048 /nfs/dbraw/zinc/10/90/48/210109048.db2.gz PMMKGYYYYJGQCO-KEBDBYFISA-N 0 0 347.201 4.676 50 30 EJEARN Cn1c(Cl)c(/C=N/OC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000004051495 210108515 /nfs/dbraw/zinc/10/85/15/210108515.db2.gz LHLFONPWAYVQDE-KEBDBYFISA-N 0 0 347.201 4.676 50 30 EJEARN Cn1c(Cl)c(/C=N/OC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000004051487 210108370 /nfs/dbraw/zinc/10/83/70/210108370.db2.gz ORKYITWDIBNNKL-KEBDBYFISA-N 0 0 347.201 4.676 50 30 EJEARN Cc1cc2c(cc1C)N[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004036912 210106127 /nfs/dbraw/zinc/10/61/27/210106127.db2.gz NCIKIXIOZWWGIC-OAQYLSRUSA-N 0 0 347.462 4.920 50 30 EJEARN Cc1c(C(=O)/C=C/c2ccccc2Cl)c2cc(O)ccc2n1C ZINC000004007026 210098810 /nfs/dbraw/zinc/09/88/10/210098810.db2.gz NFYAPYJYNHVXFN-JXMROGBWSA-N 0 0 325.795 4.742 50 30 EJEARN Cc1cc2c(cc1C)C(=CC(=O)C(Cl)(Cl)Cl)NC(C)(C)C2 ZINC000003772002 210074872 /nfs/dbraw/zinc/07/48/72/210074872.db2.gz LULHWMSOUPSSRW-QPEQYQDCSA-N 0 0 346.685 4.508 50 30 EJEARN C=C(C)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 ZINC000003420854 210034324 /nfs/dbraw/zinc/03/43/24/210034324.db2.gz ZHFCYTDXMMBEKC-HNNXBMFYSA-N 0 0 336.460 4.674 50 30 EJEARN N#Cc1ccccc1COc1ncnc2scc(-c3ccccc3)c21 ZINC000003363000 210019038 /nfs/dbraw/zinc/01/90/38/210019038.db2.gz RPNWKKLZXWOFFN-UHFFFAOYSA-N 0 0 343.411 4.809 50 30 EJEARN N#Cc1ccc(COC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000015554580 201957836 /nfs/dbraw/zinc/95/78/36/201957836.db2.gz XFVONLWJKWZDKC-UHFFFAOYSA-N 0 0 325.433 4.636 50 30 EJEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000015636041 201958911 /nfs/dbraw/zinc/95/89/11/201958911.db2.gz ATYUCRXASRQLTI-RIYZIHGNSA-N 0 0 349.242 4.885 50 30 EJEARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC#N ZINC000003330046 210009548 /nfs/dbraw/zinc/00/95/48/210009548.db2.gz TVECFRRILMKEDH-UHFFFAOYSA-N 0 0 336.778 4.544 50 30 EJEARN N#Cc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003196129 209976968 /nfs/dbraw/zinc/97/69/68/209976968.db2.gz IYANFMAUQIOFGV-UHFFFAOYSA-N 0 0 349.217 4.663 50 30 EJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003166522 209972037 /nfs/dbraw/zinc/97/20/37/209972037.db2.gz XHINRJZXBATHJG-UHFFFAOYSA-N 0 0 338.407 4.505 50 30 EJEARN Cc1snc(SCc2ncc(C(F)(F)F)cc2Cl)c1C#N ZINC000003063808 209959364 /nfs/dbraw/zinc/95/93/64/209959364.db2.gz RKTKXCQAPWQGML-UHFFFAOYSA-N 0 0 349.790 4.683 50 30 EJEARN N#Cc1ccc(COC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000002848444 209927224 /nfs/dbraw/zinc/92/72/24/209927224.db2.gz DQQSEWAZCMRFTJ-UHFFFAOYSA-N 0 0 328.371 4.659 50 30 EJEARN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C(C)=O)cc1 ZINC000002677242 209888458 /nfs/dbraw/zinc/88/84/58/209888458.db2.gz MLGOFVZFPCUZHU-MRCUWXFGSA-N 0 0 334.444 4.838 50 30 EJEARN C=CC/N=c1/sc(C)c(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000103613277 219316526 /nfs/dbraw/zinc/31/65/26/219316526.db2.gz LYDRVSIUKQECTE-QZQOTICOSA-N 0 0 336.460 4.610 50 30 EJEARN CC(/C=N/NC(=S)Nc1cccc(Cl)c1)=C/c1ccccc1 ZINC000002543755 209865457 /nfs/dbraw/zinc/86/54/57/209865457.db2.gz JZKFYADBWBICLS-TZLNKHHCSA-N 0 0 329.856 4.716 50 30 EJEARN CCCCCCCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000002491629 209858328 /nfs/dbraw/zinc/85/83/28/209858328.db2.gz OYCVSLAPQHHOOW-JOCHJYFZSA-N 0 0 337.463 4.501 50 30 EJEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 ZINC000002358089 209844097 /nfs/dbraw/zinc/84/40/97/209844097.db2.gz PRCAEBAMTZMASP-IBGZPJMESA-N 0 0 343.467 4.675 50 30 EJEARN N#Cc1ccc(OC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002143509 209824196 /nfs/dbraw/zinc/82/41/96/209824196.db2.gz VTHZIZGMRAXPTC-UHFFFAOYSA-N 0 0 340.688 4.841 50 30 EJEARN CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000040049497 213254517 /nfs/dbraw/zinc/25/45/17/213254517.db2.gz KUDMXEDWTXCQKN-JOCHJYFZSA-N 0 0 340.426 4.614 50 30 EJEARN Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1 ZINC000001403804 209741205 /nfs/dbraw/zinc/74/12/05/209741205.db2.gz LFAMYXOBWYPWMK-UHFFFAOYSA-N 0 0 334.400 4.534 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000001257985 209720296 /nfs/dbraw/zinc/72/02/96/209720296.db2.gz QSEQNCIGXZQSGC-HXUWFJFHSA-N 0 0 334.419 4.614 50 30 EJEARN COc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1 ZINC000000544706 209658216 /nfs/dbraw/zinc/65/82/16/209658216.db2.gz RXBBQCAWCVEWFQ-UHFFFAOYSA-N 0 0 325.755 4.619 50 30 EJEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3 ZINC000000535344 209653470 /nfs/dbraw/zinc/65/34/70/209653470.db2.gz ZYKPQWGZGHMHPT-UHFFFAOYSA-N 0 0 337.539 4.510 50 30 EJEARN CC1(C)Cc2nc3sc(C#N)c(N)c3c(-c3ccccc3)c2C(=O)C1 ZINC000000500280 209636980 /nfs/dbraw/zinc/63/69/80/209636980.db2.gz KOJNMLCRYILMJA-UHFFFAOYSA-N 0 0 347.443 4.572 50 30 EJEARN Cc1cc(Oc2ccccc2)nc(SCc2ccccc2C#N)n1 ZINC000037510290 213153551 /nfs/dbraw/zinc/15/35/51/213153551.db2.gz UDUHHCGMYPFCRS-UHFFFAOYSA-N 0 0 333.416 4.741 50 30 EJEARN CC(C)c1nnc(SCc2cccc(C#N)c2)n1-c1ccccc1 ZINC000035847406 213050170 /nfs/dbraw/zinc/05/01/70/213050170.db2.gz ZJBJFKLPFGRIKN-UHFFFAOYSA-N 0 0 334.448 4.555 50 30 EJEARN CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000000433951 209599109 /nfs/dbraw/zinc/59/91/09/209599109.db2.gz XWPQDGJIVGEFNV-JTQLQIEISA-N 0 0 348.855 4.550 50 30 EJEARN O=C1C=C(Nc2ccc(Br)cc2)C[C@H](c2ccccc2)C1 ZINC000000434848 209598525 /nfs/dbraw/zinc/59/85/25/209598525.db2.gz IGUVOJSWETYWPH-AWEZNQCLSA-N 0 0 342.236 4.892 50 30 EJEARN O=C1C=C(Nc2cccc(Br)c2)C[C@H](c2ccccc2)C1 ZINC000000432212 209597652 /nfs/dbraw/zinc/59/76/52/209597652.db2.gz GJGPSXTWOHEADS-AWEZNQCLSA-N 0 0 342.236 4.892 50 30 EJEARN CCC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C1 ZINC000035347544 213023527 /nfs/dbraw/zinc/02/35/27/213023527.db2.gz ZXMPPZQWSDETMJ-HNNXBMFYSA-N 0 0 349.478 4.752 50 30 EJEARN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(N(C)CCC#N)cc1)CC2 ZINC000035190010 213013304 /nfs/dbraw/zinc/01/33/04/213013304.db2.gz NJMQBWTUULBEDM-CYVLTUHYSA-N 0 0 344.458 4.866 50 30 EJEARN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(F)cc3)sc2C1 ZINC000033923971 212970188 /nfs/dbraw/zinc/97/01/88/212970188.db2.gz VDSSECVKYZWMNM-LRAPTIAOSA-N 0 0 340.423 4.536 50 30 EJEARN COC(=O)c1ccc(/C=C2/CCC[C@H](C3CCCCC3)C2=O)cc1 ZINC000033380690 212931869 /nfs/dbraw/zinc/93/18/69/212931869.db2.gz MCFAANRGORGRSI-GDLUXTLDSA-N 0 0 326.436 4.806 50 30 EJEARN N#Cc1ccccc1OCc1nc2ccccc2c(-c2ccccc2)n1 ZINC000032754505 212835437 /nfs/dbraw/zinc/83/54/37/212835437.db2.gz YJMPCTLGLJBROC-UHFFFAOYSA-N 0 0 337.382 4.747 50 30 EJEARN CSC1=N/C(=N\C2CCCCC2)C2(C3CC4CC(C3)CC2C4)N1C ZINC000035178567 202290221 /nfs/dbraw/zinc/29/02/21/202290221.db2.gz MDATXNCOHWQGIE-UZYVYHOESA-N 0 0 345.556 4.577 50 30 EJEARN N#Cc1ccc(N(Cc2ccccc2C#N)Cc2ccccc2C#N)cc1 ZINC000072284294 216115032 /nfs/dbraw/zinc/11/50/32/216115032.db2.gz RXXXIBWYXWAPKV-UHFFFAOYSA-N 0 0 348.409 4.508 50 30 EJEARN C=CCn1c2ccccc2n2c1nc(C)c2C(=S)Nc1ccccc1 ZINC000000255147 209505801 /nfs/dbraw/zinc/50/58/01/209505801.db2.gz IVHCONBZCQBNMP-UHFFFAOYSA-N 0 0 346.459 4.571 50 30 EJEARN Cc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000000187789 209473000 /nfs/dbraw/zinc/47/30/00/209473000.db2.gz UZTCHWJQTCYPPK-UHFFFAOYSA-N 0 0 330.840 4.507 50 30 EJEARN Cc1c(C#N)c2nc3ccccc3n2c(Cl)c1Cc1ccccc1 ZINC000000135295 209442913 /nfs/dbraw/zinc/44/29/13/209442913.db2.gz ODTDABKCLACUAE-UHFFFAOYSA-N 0 0 331.806 4.912 50 30 EJEARN O=[N+]([O-])c1cc(/N=C/c2ccc(Br)s2)ccc1Cl ZINC000000096014 209417222 /nfs/dbraw/zinc/41/72/22/209417222.db2.gz MEFIQWDIYBSYQR-MKMNVTDBSA-N 0 0 345.605 4.823 50 30 EJEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)c(Cl)c1OC ZINC000000069927 209399368 /nfs/dbraw/zinc/39/93/68/209399368.db2.gz MWZVEXVGCCUGQP-SDNWHVSQSA-N 0 0 328.795 4.570 50 30 EJEARN N#Cc1c2c(sc1/N=C/c1cc([N+](=O)[O-])ccc1Cl)CCCC2 ZINC000000060282 209394664 /nfs/dbraw/zinc/39/46/64/209394664.db2.gz UETCNRYATOEOAD-DJKKODMXSA-N 0 0 345.811 4.811 50 30 EJEARN COc1ccccc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O ZINC000012859681 201364465 /nfs/dbraw/zinc/36/44/65/201364465.db2.gz DLGGWUHTRQKYHN-NDENLUEZSA-N 0 0 336.387 4.656 50 30 biogenic EJEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccs3)c12 ZINC000023909237 212398499 /nfs/dbraw/zinc/39/84/99/212398499.db2.gz WKXMFTOAOUJTQB-ZHACJKMWSA-N 0 0 347.443 4.741 50 30 EJEARN C/C(=N\OCc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000000092265 201433309 /nfs/dbraw/zinc/43/33/09/201433309.db2.gz LRSNOJYYFIVDST-VXLYETTFSA-N 0 0 340.167 4.668 50 30 EJEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1F ZINC000000382253 201466902 /nfs/dbraw/zinc/46/69/02/201466902.db2.gz NQQNOOOGRAYKKW-UHFFFAOYSA-N 0 0 345.373 4.696 50 30 EJEARN CC(C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000002544790 201535508 /nfs/dbraw/zinc/53/55/08/201535508.db2.gz ODRWCOACCRFWTB-UHFFFAOYSA-N 0 0 325.795 4.752 50 30 EJEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1Sc1ccc(Cl)cc1 ZINC000238882163 242949297 /nfs/dbraw/zinc/94/92/97/242949297.db2.gz CNKQICYCLHHAOQ-UHFFFAOYSA-N 0 0 347.226 5.671 50 30 EJEARN Cc1ccc(-c2nnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 ZINC000006654215 201688981 /nfs/dbraw/zinc/68/89/81/201688981.db2.gz KXBDYHXBUJIMMM-UHFFFAOYSA-N 0 0 340.839 4.512 50 30 EJEARN N#Cc1c(N)nc(-c2cccnc2)cc1-c1cccc(Cl)c1Cl ZINC000020291501 212116668 /nfs/dbraw/zinc/11/66/68/212116668.db2.gz UTUUZNQSIQYMEU-UHFFFAOYSA-N 0 0 341.201 4.571 50 30 EJEARN CCN1C/C(=C\c2ccccc2C)C(=O)/C(=C\c2ccccc2C)C1 ZINC000020115515 212103232 /nfs/dbraw/zinc/10/32/32/212103232.db2.gz NUVNZDFXVCESAL-VOKWCDJLSA-N 0 0 331.459 4.675 50 30 EJEARN CC(C)(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1 ZINC000019943356 212088151 /nfs/dbraw/zinc/08/81/51/212088151.db2.gz VLJUTBYQKPFNRT-UHFFFAOYSA-N 0 0 325.481 4.830 50 30 EJEARN CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820719 212072061 /nfs/dbraw/zinc/07/20/61/212072061.db2.gz QMELIVFMHQODNJ-UHFFFAOYSA-N 0 0 332.432 4.789 50 30 EJEARN CCCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820496 212071913 /nfs/dbraw/zinc/07/19/13/212071913.db2.gz IAUSYMKIPQBVID-UHFFFAOYSA-N 0 0 332.860 4.603 50 30 EJEARN CCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820476 212071608 /nfs/dbraw/zinc/07/16/08/212071608.db2.gz ROQFXIMJMQLHTE-UHFFFAOYSA-N 0 0 340.496 4.857 50 30 EJEARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1C#N ZINC000077458640 203389184 /nfs/dbraw/zinc/38/91/84/203389184.db2.gz OLRBIOWGMMDAMV-UHFFFAOYSA-N 0 0 342.398 4.623 50 30 EJEARN CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1 ZINC000019608504 212051871 /nfs/dbraw/zinc/05/18/71/212051871.db2.gz IPLDTQPOWOARIL-UHFFFAOYSA-N 0 0 325.481 4.875 50 30 EJEARN C/C(=N\N(C)c1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1 ZINC000091695222 203646951 /nfs/dbraw/zinc/64/69/51/203646951.db2.gz AVZZMMLVRUTBFS-UFFVCSGVSA-N 0 0 327.737 4.614 50 30 EJEARN CC(C)c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000015016032 211790199 /nfs/dbraw/zinc/79/01/99/211790199.db2.gz MQWXEMBNOSTOSC-BOPFTXTBSA-N 0 0 340.423 4.841 50 30 EJEARN CC(C)n1cnnc1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000014247649 211722296 /nfs/dbraw/zinc/72/22/96/211722296.db2.gz ZCYQKDKMNKLRRV-UHFFFAOYSA-N 0 0 334.448 4.690 50 30 EJEARN COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1Br ZINC000000060418 206210514 /nfs/dbraw/zinc/21/05/14/206210514.db2.gz IDNNDNUFRWFUMO-OQLLNIDSSA-N 0 0 347.233 4.787 50 30 EJEARN Cc1sc(NC(=O)c2cccnc2)c(C#N)c1-c1ccc(C)c(C)c1 ZINC000013328082 211547602 /nfs/dbraw/zinc/54/76/02/211547602.db2.gz UBUZVZFQYGFCEN-UHFFFAOYSA-N 0 0 347.443 4.859 50 30 EJEARN CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O ZINC000012504583 211395480 /nfs/dbraw/zinc/39/54/80/211395480.db2.gz KQBLYDZKTIEVTF-HHNLSAEISA-N 0 0 331.868 4.653 50 30 EJEARN S=C(N/C(=N\c1ccccc1)c1ccccc1)NC1CCCCC1 ZINC000012490540 211393529 /nfs/dbraw/zinc/39/35/29/211393529.db2.gz VQENOSFOKCGRMS-UHFFFAOYSA-N 0 0 337.492 4.562 50 30 EJEARN CN=C(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000091695324 218050591 /nfs/dbraw/zinc/05/05/91/218050591.db2.gz ASZVPSJCVHDEMG-UHFFFAOYSA-N 0 0 348.155 4.705 50 30 EJEARN FC(F)(F)c1cnc(N=NC=CCc2ccccc2)c(Cl)c1 ZINC000008925787 211020205 /nfs/dbraw/zinc/02/02/05/211020205.db2.gz FUNFZJICKMMMOC-WXEZRFCZSA-N 0 0 325.721 4.865 50 30 EJEARN C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1 ZINC000008573663 210967813 /nfs/dbraw/zinc/96/78/13/210967813.db2.gz MXCOBZOIEURAPF-UHFFFAOYSA-N 0 0 348.431 4.565 50 30 EJEARN C=CCOc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1 ZINC000006262061 210608139 /nfs/dbraw/zinc/60/81/39/210608139.db2.gz IKPAXYGPPMVKLP-LGMDPLHJSA-N 0 0 336.416 4.983 50 30 EJEARN O=C1c2ccccc2S/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000005557402 210489503 /nfs/dbraw/zinc/48/95/03/210489503.db2.gz LZGFADVSTAVOMP-PDGQHHTCSA-N 0 0 348.383 4.715 50 30 EJEARN N#Cc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000005357810 210448086 /nfs/dbraw/zinc/44/80/86/210448086.db2.gz ORAIOYWNEXVRTH-UHFFFAOYSA-N 0 0 338.461 4.505 50 30 EJEARN CC(C)[C@](C)(C#N)NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000096997142 218910501 /nfs/dbraw/zinc/91/05/01/218910501.db2.gz QVDSKZMXOCHSME-FQEVSTJZSA-N 0 0 349.459 4.631 50 30 EJEARN Cc1nc(SCCCC(=O)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000005089352 210386374 /nfs/dbraw/zinc/38/63/74/210386374.db2.gz QKQXJDNMUVDVDP-UHFFFAOYSA-N 0 0 342.439 4.773 50 30 EJEARN Cc1cccc2c1-c1sc(C(=O)Nc3cccc(C#N)c3)cc1CO2 ZINC000005049625 210374723 /nfs/dbraw/zinc/37/47/23/210374723.db2.gz YYQWRZKLBZFJKU-UHFFFAOYSA-N 0 0 346.411 4.740 50 30 EJEARN Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000004867074 210306295 /nfs/dbraw/zinc/30/62/95/210306295.db2.gz QEIYTQGGNYWELB-GDNBJRDFSA-N 0 0 328.824 4.540 50 30 EJEARN COc1cccc(NC(C)=CC(=O)c2ccc(Br)cc2)c1 ZINC000004819223 210286299 /nfs/dbraw/zinc/28/62/99/210286299.db2.gz SAKOOGDRAPEBHS-ZRDIBKRKSA-N 0 0 346.224 4.656 50 30 EJEARN O=[N+]([O-])c1cccc(C=NNc2nc3ccccc3c3ccccc32)c1 ZINC000004817134 210285861 /nfs/dbraw/zinc/28/58/61/210285861.db2.gz AQVCGCQDPOMQBN-FYJGNVAPSA-N 0 0 342.358 4.742 50 30 EJEARN N#Cc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000004832138 210290952 /nfs/dbraw/zinc/29/09/52/210290952.db2.gz ZWDOPHIUEOSRGD-UHFFFAOYSA-N 0 0 326.399 4.596 50 30 EJEARN COc1ccc2c(c1)CC/C(=C\c1ccc(Br)s1)C2=O ZINC000004826235 210289664 /nfs/dbraw/zinc/28/96/64/210289664.db2.gz LVLUIJULHPMVMY-PKNBQFBNSA-N 0 0 349.249 4.732 50 30 EJEARN CC(C)=NONc1cccc2c(NC(=O)ON=C(C)C)cccc12 ZINC000004774909 210274913 /nfs/dbraw/zinc/27/49/13/210274913.db2.gz LRHHWFWAUCUENR-UHFFFAOYSA-N 0 0 328.372 4.523 50 30 EJEARN CC(C)c1noc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000328587307 258046042 /nfs/dbraw/zinc/04/60/42/258046042.db2.gz ZEEHWCLPXLJKSQ-HNNXBMFYSA-N 0 0 346.434 4.582 50 30 EJEARN C=CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000012977461 258017046 /nfs/dbraw/zinc/01/70/46/258017046.db2.gz XQJGUNPNLPFTOJ-HNNXBMFYSA-N 0 0 327.449 4.679 50 30 EJEARN N#Cc1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2 ZINC000000996130 258048990 /nfs/dbraw/zinc/04/89/90/258048990.db2.gz HZTVMUPFFFOFAU-GZBFAFLISA-N 0 0 328.481 4.653 50 30 EJEARN COc1ccc(/C=C2\CCCC(=C3SCCCS3)C2=O)cc1 ZINC000003353288 258050608 /nfs/dbraw/zinc/05/06/08/258050608.db2.gz RPCFBRJWDQFJSF-WYMLVPIESA-N 0 0 332.490 4.913 50 30 EJEARN N#CCOc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 ZINC000006625613 258052198 /nfs/dbraw/zinc/05/21/98/258052198.db2.gz WHIBPMRJIZHVIK-JXMROGBWSA-N 0 0 331.293 4.504 50 30 EJEARN C[C@@H](NC(=S)NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013497289 258056104 /nfs/dbraw/zinc/05/61/04/258056104.db2.gz UQGWXTAWOZSDBV-SFAMEIPESA-N 0 0 346.515 4.806 50 30 EJEARN C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000257345623 258073399 /nfs/dbraw/zinc/07/33/99/258073399.db2.gz DFRQHISHXQPKMU-JVTHYKSUSA-N 0 0 328.496 4.826 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccccc1 ZINC000003173166 135659388 /nfs/dbraw/zinc/65/93/88/135659388.db2.gz REHUPAQDLIEZJW-SFHVURJKSA-N 0 0 345.442 4.850 50 30 EJEARN CC(C)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000012382920 135694688 /nfs/dbraw/zinc/69/46/88/135694688.db2.gz RAVKBAUXCHBRHE-JCMHNJIXSA-N 0 0 341.886 4.620 50 30 EJEARN N#CCC[C@@H](Nc1ncnc2sc3c(c21)CCC3)c1ccccc1 ZINC000164328057 226064770 /nfs/dbraw/zinc/06/47/70/226064770.db2.gz ZJFQCNKCTQORAA-OAHLLOKOSA-N 0 0 334.448 4.637 50 30 EJEARN COc1cc(/C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000017022968 262506496 /nfs/dbraw/zinc/50/64/96/262506496.db2.gz CHKCKZJOXKQZMG-FLIBITNWSA-N 0 0 348.398 4.762 50 30 EJEARN C=C(C)CN(C)C(=O)C[C@@H](c1cccc(Cl)c1)c1ccccc1O ZINC000012432306 518588774 /nfs/dbraw/zinc/58/87/74/518588774.db2.gz KGQBJLHEZCYAST-SFHVURJKSA-N 0 0 343.854 4.602 50 30 EJEARN C=C(C)Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1 ZINC000016788587 518638236 /nfs/dbraw/zinc/63/82/36/518638236.db2.gz POXSBAHVWXWUHH-RMKNXTFCSA-N 0 0 348.475 4.722 50 30 EJEARN C=CCCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012477768 518692197 /nfs/dbraw/zinc/69/21/97/518692197.db2.gz YIOQQXDIGGWUSF-OAQYLSRUSA-N 0 0 347.458 4.741 50 30 EJEARN C=CCN(C(=O)Cc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000036393581 518733765 /nfs/dbraw/zinc/73/37/65/518733765.db2.gz XSQZHIRPYRTHBU-IBGZPJMESA-N 0 0 325.839 4.585 50 30 EJEARN C=CCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000004362928 519017374 /nfs/dbraw/zinc/01/73/74/519017374.db2.gz UKDAATLWHBEWFP-DEDYPNTBSA-N 0 0 335.432 4.821 50 30 EJEARN C=CCc1ccc(OCCOc2ccccc2OC(C)C)c(OC)c1 ZINC000002983966 519139855 /nfs/dbraw/zinc/13/98/55/519139855.db2.gz CFUYRADLLHHLPO-UHFFFAOYSA-N 0 0 342.435 4.669 50 30 EJEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C ZINC000003294878 519170514 /nfs/dbraw/zinc/17/05/14/519170514.db2.gz MAWCEAKXSZWIRR-UHFFFAOYSA-N 0 0 342.489 4.876 50 30 EJEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 ZINC000000530042 519237501 /nfs/dbraw/zinc/23/75/01/519237501.db2.gz GWSNNRKUJGFTSG-UHFFFAOYSA-N 0 0 349.818 4.809 50 30 EJEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(F)cc1 ZINC000004196784 519240756 /nfs/dbraw/zinc/24/07/56/519240756.db2.gz DBCAPBGDHQSSQQ-UHFFFAOYSA-N 0 0 343.402 4.702 50 30 EJEARN CC(C)CCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006375253 519673387 /nfs/dbraw/zinc/67/33/87/519673387.db2.gz WNFVOBYHMRBEQW-DHZHZOJOSA-N 0 0 339.391 4.916 50 30 EJEARN CCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000003107189 519972422 /nfs/dbraw/zinc/97/24/22/519972422.db2.gz PYXABCLHECYWLF-UHFFFAOYSA-N 0 0 339.483 4.916 50 30 EJEARN CCCCCCCCCCS(=O)(=O)Nc1ccc(OC)cc1 ZINC000033355490 520023076 /nfs/dbraw/zinc/02/30/76/520023076.db2.gz QOLAYIIEKBTIPT-UHFFFAOYSA-N 0 0 327.490 4.578 50 30 EJEARN CCCCCCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000003095518 520033667 /nfs/dbraw/zinc/03/36/67/520033667.db2.gz ISRUKRPNNYWDTO-UHFFFAOYSA-N 0 0 332.271 4.849 50 30 EJEARN CCCCCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000038143346 520055687 /nfs/dbraw/zinc/05/56/87/520055687.db2.gz FRPBMOYNTLYJIF-UHFFFAOYSA-N 0 0 347.462 4.997 50 30 EJEARN CCCCCCCOc1ccc(COC(=O)c2cccnc2)cc1 ZINC000002028704 520064106 /nfs/dbraw/zinc/06/41/06/520064106.db2.gz GUQRNNCRMBTMME-UHFFFAOYSA-N 0 0 327.424 4.788 50 30 biogenic EJEARN CCOc1cc(/C=C\C(=O)c2ccc3cc(OC)ccc3c2)ccc1O ZINC000098053770 520636706 /nfs/dbraw/zinc/63/67/06/520636706.db2.gz GAHKMIHEGHTCDJ-WMZJFQQLSA-N 0 0 348.398 4.849 50 30 EJEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(Cl)cc1 ZINC000013961048 520978128 /nfs/dbraw/zinc/97/81/28/520978128.db2.gz MPKOJCUKGHXDMG-GIJQJNRQSA-N 0 0 344.818 4.644 50 30 EJEARN CCc1cccc(CC)c1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000000553828 524067255 /nfs/dbraw/zinc/06/72/55/524067255.db2.gz ABRKQUNTZAGCBY-OUKQBFOZSA-N 0 0 339.435 4.637 50 30 EJEARN COc1ccccc1N[C@H](C#N)c1ccccc1OCc1ccccc1 ZINC000000479573 524647075 /nfs/dbraw/zinc/64/70/75/524647075.db2.gz KYFXPHPBTUJULU-HXUWFJFHSA-N 0 0 344.414 4.951 50 30 in-vitro EJEARN Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)C2CC2)c2ccc(F)cc2)cc1 ZINC000005617848 526040684 /nfs/dbraw/zinc/04/06/84/526040684.db2.gz NERKTQZFNARWSS-JUGSVMCGSA-N 0 0 337.394 4.595 50 30 EJEARN N#CCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000000452275 526483173 /nfs/dbraw/zinc/48/31/73/526483173.db2.gz NVYZACJGXPTBQL-UHFFFAOYSA-N 0 0 330.840 4.527 50 30 EJEARN O=C1SC(SCc2ccccc2)=N/C1=C\C=C\c1ccco1 ZINC000015016577 527102994 /nfs/dbraw/zinc/10/29/94/527102994.db2.gz BSSQKKGYWVEKBS-VVGDYKIKSA-N 0 0 327.430 4.740 50 30 EJEARN O=[N+]([O-])c1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000004989860 527359782 /nfs/dbraw/zinc/35/97/82/527359782.db2.gz VNYGGQMKMWKIRG-XSFVSMFZSA-N 0 0 333.347 4.833 50 30 EJEARN O=C(C=C(Nc1ccccc1)C(=O)c1cccs1)c1cccs1 ZINC000023633884 527593192 /nfs/dbraw/zinc/59/31/92/527593192.db2.gz WSPIHFDVMNMLQI-OWBHPGMISA-N 0 0 339.441 4.871 50 30 EJEARN CCN(CC)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000095947 563224326 /nfs/dbraw/zinc/22/43/26/563224326.db2.gz RLWNZFYCLNHEHS-XDHOZWIPSA-N 0 0 331.803 4.845 50 30 EJEARN Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C\c1ccc(N(C)C)cc1 ZINC000000131453 563238798 /nfs/dbraw/zinc/23/87/98/563238798.db2.gz GLGYDQXINMDWDW-BRLDMJBGSA-N 0 0 344.462 4.702 50 30 EJEARN O=C(/C=C/Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000000174247 563252728 /nfs/dbraw/zinc/25/27/28/563252728.db2.gz SBSXDZYKCRZEDH-BQYQJAHWSA-N 0 0 327.302 4.728 50 30 EJEARN Cc1ccc(C2CC(=O)C(=CNc3ccc(C)c(C)c3)C(=O)C2)cc1 ZINC000000177926 563253387 /nfs/dbraw/zinc/25/33/87/563253387.db2.gz XRRNILZHHLKJPZ-UHFFFAOYSA-N 0 0 333.431 4.623 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1 ZINC000000458765 563325455 /nfs/dbraw/zinc/32/54/55/563325455.db2.gz HLYUSEBOGNPSQY-CMDGGOBGSA-N 0 0 334.188 4.705 50 30 EJEARN O=C(C=CNc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000000460562 563326093 /nfs/dbraw/zinc/32/60/93/563326093.db2.gz QJAGMGHYXRMHDQ-BQYQJAHWSA-N 0 0 338.151 4.536 50 30 EJEARN O=C1c2ccccc2SC/C1=C\c1ccc(Br)cc1 ZINC000000481221 563336437 /nfs/dbraw/zinc/33/64/37/563336437.db2.gz XBKTZWASAVGDJE-FMIVXFBMSA-N 0 0 331.234 4.821 50 30 EJEARN NC(=O)c1c(/N=C/c2ccc3ccccc3c2)sc2c1CCCC2 ZINC000000588118 563352183 /nfs/dbraw/zinc/35/21/83/563352183.db2.gz BTDYUVISWAETRN-WSDLNYQXSA-N 0 0 334.444 4.630 50 30 EJEARN Cc1cc2c(cc1C)N[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001065096 563372465 /nfs/dbraw/zinc/37/24/65/563372465.db2.gz ABWYEMQVFYCFOO-OAQYLSRUSA-N 0 0 347.462 4.920 50 30 EJEARN CCC(C)(C)NC(=S)N/N=C/c1ccccc1SC(C)(C)C ZINC000002141949 563423708 /nfs/dbraw/zinc/42/37/08/563423708.db2.gz UQUFUMAMLQOMKV-LDADJPATSA-N 0 0 337.558 4.564 50 30 EJEARN C[C@@H](O)C#Cc1cc(Cl)cc2nc(-c3ccccc3Cl)oc21 ZINC000002518789 563438379 /nfs/dbraw/zinc/43/83/79/563438379.db2.gz AAKYWUJQMAQBKX-SNVBAGLBSA-N 0 0 332.186 4.534 50 30 EJEARN CCOC(=O)/C(=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O ZINC000003136863 563474281 /nfs/dbraw/zinc/47/42/81/563474281.db2.gz OJZBBHWBJOSQFI-XNTDXEJSSA-N 0 0 346.467 4.523 50 30 EJEARN Cc1cccc(Cl)c1C=NNc1ccc(-c2csnn2)cc1 ZINC000004389487 563502108 /nfs/dbraw/zinc/50/21/08/563502108.db2.gz QLSYMRSSUNJLLR-GIJQJNRQSA-N 0 0 328.828 4.613 50 30 EJEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 ZINC000005073218 563520555 /nfs/dbraw/zinc/52/05/55/563520555.db2.gz CIPQRAQJVAKSBZ-VQHVLOKHSA-N 0 0 331.209 4.662 50 30 EJEARN CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000005188103 563522355 /nfs/dbraw/zinc/52/23/55/563522355.db2.gz UPAQTJKMVHFALB-KRWDZBQOSA-N 0 0 348.446 4.724 50 30 EJEARN C[C@@H]1CC(=O)C=C(Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000005211715 563522974 /nfs/dbraw/zinc/52/29/74/563522974.db2.gz JEUZIJZJTXZRQZ-AWEZNQCLSA-N 0 0 335.407 4.625 50 30 EJEARN S=C1N=NC(C2CCCCC2)N1N=CC(Cl)=Cc1ccccc1 ZINC000006227982 563561743 /nfs/dbraw/zinc/56/17/43/563561743.db2.gz URVLMQHGANREAC-CTGWRUSHSA-N 0 0 346.887 4.728 50 30 EJEARN COc1ccccc1NC(C)=CC(=O)c1ccc(Br)cc1 ZINC000006492576 563569951 /nfs/dbraw/zinc/56/99/51/563569951.db2.gz WHQQEZXCIVYTAA-VAWYXSNFSA-N 0 0 346.224 4.656 50 30 EJEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714801 563606696 /nfs/dbraw/zinc/60/66/96/563606696.db2.gz VCNAWJYTNWVLBP-UHFFFAOYSA-N 0 0 344.393 4.825 50 30 EJEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Br)c(C)c1 ZINC000008576320 563633038 /nfs/dbraw/zinc/63/30/38/563633038.db2.gz PCTMDXBRQQFXOJ-ACCUITESSA-N 0 0 330.225 4.956 50 30 EJEARN CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000013468854 563699074 /nfs/dbraw/zinc/69/90/74/563699074.db2.gz VFFOKZZMLPKPMY-QGZVFWFLSA-N 0 0 343.883 4.715 50 30 EJEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(Cl)c1 ZINC000013476322 563699099 /nfs/dbraw/zinc/69/90/99/563699099.db2.gz ZKMQAGAAWPDESO-NTEUORMPSA-N 0 0 349.242 4.885 50 30 EJEARN CC(C)N1C/C(=C\c2ccsc2)C(=O)/C(=C\c2ccsc2)C1 ZINC000013496517 563699760 /nfs/dbraw/zinc/69/97/60/563699760.db2.gz PEWNJAGVBWDEKF-NIVQCIBKSA-N 0 0 329.490 4.570 50 30 EJEARN COc1cccc(NC(=S)N=NC2CCC(C(C)(C)C)CC2)c1 ZINC000013683989 563710776 /nfs/dbraw/zinc/71/07/76/563710776.db2.gz GEDXHXLJVUDZJO-UHFFFAOYSA-N 0 0 333.501 4.985 50 30 EJEARN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc(-c2ccccc2)cc1 ZINC000032806325 563740944 /nfs/dbraw/zinc/74/09/44/563740944.db2.gz IDWXCADGPVADTF-CQSZACIVSA-N 0 0 344.374 4.702 50 30 EJEARN C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 ZINC000004506671 563742030 /nfs/dbraw/zinc/74/20/30/563742030.db2.gz TZEKDGCJVJLRLT-INIZCTEOSA-N 0 0 342.398 4.842 50 30 EJEARN CCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000004570282 563783188 /nfs/dbraw/zinc/78/31/88/563783188.db2.gz CWAJLNDHQAZMQA-UHFFFAOYSA-N 0 0 328.437 4.668 50 30 EJEARN O=C(C=CNc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000015774365 563792205 /nfs/dbraw/zinc/79/22/05/563792205.db2.gz PPHGPKCQJPFHKJ-CMDGGOBGSA-N 0 0 336.616 4.911 50 30 EJEARN CCC/C(=N\NC(=S)NC1CCCCC1)c1ccc(Cl)s1 ZINC000017071792 563835375 /nfs/dbraw/zinc/83/53/75/563835375.db2.gz JVTNKBVJJJTOMO-LDADJPATSA-N 0 0 343.949 4.703 50 30 EJEARN O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3Cl)o2)N1O ZINC000000373607 563841538 /nfs/dbraw/zinc/84/15/38/563841538.db2.gz HXANJCRVWXWNML-KRWDZBQOSA-N 0 0 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ZINC000033389029 563983147 /nfs/dbraw/zinc/98/31/47/563983147.db2.gz MEBSBNKWSNUCMP-JCMHNJIXSA-N 0 0 328.419 4.627 50 30 EJEARN N#Cc1cccc(CSc2nn(-c3ccccc3)c(=S)s2)c1 ZINC000014158657 563983346 /nfs/dbraw/zinc/98/33/46/563983346.db2.gz OWTQBXQVLXSXQK-UHFFFAOYSA-N 0 0 341.486 4.827 50 30 EJEARN Cc1ccc(N2C(=O)C[C@H](c3cccs3)C3=C2CCCC3=O)cc1 ZINC000000107111 563986483 /nfs/dbraw/zinc/98/64/83/563986483.db2.gz KJXQNCVIZPNHAO-OAHLLOKOSA-N 0 0 337.444 4.584 50 30 EJEARN Cc1cc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 ZINC000000177406 563987697 /nfs/dbraw/zinc/98/76/97/563987697.db2.gz NMNXVJNQGYDJPM-NSHDSACASA-N 0 0 338.476 4.922 50 30 EJEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1C ZINC000000428109 563998845 /nfs/dbraw/zinc/99/88/45/563998845.db2.gz QGVCDIKDCBGORG-IFMALSPDSA-N 0 0 348.442 4.623 50 30 EJEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C(NNc1ccccc1)C(F)(F)F ZINC000005426111 564003833 /nfs/dbraw/zinc/00/38/33/564003833.db2.gz DMGQWPFEZYBJLJ-RVFWHNAVSA-N 0 0 338.373 4.658 50 30 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/nfs/dbraw/zinc/01/91/29/564019129.db2.gz ZXZQTARWSNFUBH-LPYMAVHISA-N 0 0 334.419 4.834 50 30 EJEARN CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1C ZINC000000503857 564019226 /nfs/dbraw/zinc/01/92/26/564019226.db2.gz RTLAAXXZVSEANO-FYJGNVAPSA-N 0 0 334.375 4.716 50 30 EJEARN CCCCCCCCCNC(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000102249593 564019934 /nfs/dbraw/zinc/01/99/34/564019934.db2.gz XFCZOXZURUPSNY-OWBHPGMISA-N 0 0 333.472 4.584 50 30 EJEARN CC(=O)Nc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000000532790 564021591 /nfs/dbraw/zinc/02/15/91/564021591.db2.gz RSHBANHBERRFPB-BUHFOSPRSA-N 0 0 330.387 4.607 50 30 EJEARN O=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000540609 564022489 /nfs/dbraw/zinc/02/24/89/564022489.db2.gz RAOINHTZOICECU-IBGZPJMESA-N 0 0 334.350 4.903 50 30 EJEARN CCCCCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1OC ZINC000004539029 564027165 /nfs/dbraw/zinc/02/71/65/564027165.db2.gz OHIPEFSLMZCKGI-WUXMJOGZSA-N 0 0 340.419 4.866 50 30 EJEARN Cc1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1C ZINC000044844107 564027430 /nfs/dbraw/zinc/02/74/30/564027430.db2.gz YFKLFPDMSFJPRA-MDZDMXLPSA-N 0 0 330.225 4.874 50 30 EJEARN CCCCCCCNC(CC)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000109624041 564029613 /nfs/dbraw/zinc/02/96/13/564029613.db2.gz WEZSFFFBPSNJMO-WUKNDPDISA-N 0 0 348.874 4.825 50 30 EJEARN Cc1nc(-c2cccnc2)sc1C(=O)C=CNc1ccc(C)cc1 ZINC000221596367 564036317 /nfs/dbraw/zinc/03/63/17/564036317.db2.gz XCGUKXCGEMICCM-PKNBQFBNSA-N 0 0 335.432 4.630 50 30 EJEARN N#CCc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000015029415 564052884 /nfs/dbraw/zinc/05/28/84/564052884.db2.gz DPQZHPJTRKBNND-UHFFFAOYSA-N 0 0 342.398 4.584 50 30 EJEARN C/N=C1/S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)N1C ZINC000001097045 564054429 /nfs/dbraw/zinc/05/44/29/564054429.db2.gz XFRVRZRGQCFBMA-UMWYYCSLSA-N 0 0 332.428 4.525 50 30 EJEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000257359284 564055996 /nfs/dbraw/zinc/05/59/96/564055996.db2.gz ZJTSNYHPKIGSEQ-FGTLNERTSA-N 0 0 328.496 4.970 50 30 EJEARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257359315 564056002 /nfs/dbraw/zinc/05/60/02/564056002.db2.gz ZNWOYQVXPIEQRC-ONGWFTMNSA-N 0 0 330.512 4.763 50 30 EJEARN N#Cc1ccsc1NC(=O)c1ccc(OCc2cccs2)cc1 ZINC000031876673 564061260 /nfs/dbraw/zinc/06/12/60/564061260.db2.gz NVFKOLQIRAKDMF-UHFFFAOYSA-N 0 0 340.429 4.513 50 30 EJEARN C/C(=C/C=C(Cl)Cl)CSC(=NC#N)Nc1ccccc1 ZINC000015441971 564062121 /nfs/dbraw/zinc/06/21/21/564062121.db2.gz SSODMVZCQREEPH-XFFZJAGNSA-N 0 0 326.252 4.934 50 30 EJEARN N#Cc1ncc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1 ZINC000001391396 564064478 /nfs/dbraw/zinc/06/44/78/564064478.db2.gz GWQKDVNWZWJTEQ-UHFFFAOYSA-N 0 0 332.203 4.783 50 30 EJEARN N#C[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001397659 564064783 /nfs/dbraw/zinc/06/47/83/564064783.db2.gz YLDUJEAVNSGVLO-ZDUSSCGKSA-N 0 0 348.627 4.983 50 30 EJEARN O=C(O/N=C1\CCCc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000001396234 564064857 /nfs/dbraw/zinc/06/48/57/564064857.db2.gz LMTIPXUTFBQQPU-CJLVFECKSA-N 0 0 333.309 4.603 50 30 EJEARN Cc1noc(/C=C/c2ccc(/C=N/c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000001395602 564064867 /nfs/dbraw/zinc/06/48/67/564064867.db2.gz VCRCURMJXHPADA-IUTFFREVSA-N 0 0 333.347 4.812 50 30 EJEARN C/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1sc(C)nc1C ZINC000001406813 564065272 /nfs/dbraw/zinc/06/52/72/564065272.db2.gz CMEXNOSDRYFUHC-QGMBQPNBSA-N 0 0 343.235 4.648 50 30 EJEARN C=CCN(Cc1ncc(-c2ccccc2)o1)Cc1ccc(OC)cc1 ZINC000059423166 564065692 /nfs/dbraw/zinc/06/56/92/564065692.db2.gz PZEQWQMPTJRJER-UHFFFAOYSA-N 0 0 334.419 4.538 50 30 EJEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100044041 564066083 /nfs/dbraw/zinc/06/60/83/564066083.db2.gz NBQYGIPVNCVJJP-UHFFFAOYSA-N 0 0 338.038 4.652 50 30 EJEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000001422985 564066684 /nfs/dbraw/zinc/06/66/84/564066684.db2.gz AEPDCKXWYQVYOB-SNVBAGLBSA-N 0 0 339.218 4.667 50 30 EJEARN C=C(C)COC(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O ZINC000012766434 564068024 /nfs/dbraw/zinc/06/80/24/564068024.db2.gz OILMYGQCXHESSO-UHFFFAOYSA-N 0 0 334.371 4.501 50 30 EJEARN C=C(C)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012975273 564073710 /nfs/dbraw/zinc/07/37/10/564073710.db2.gz LAFNOXHJBCBYRI-SNVBAGLBSA-N 0 0 332.450 4.615 50 30 EJEARN C#CCOc1ccc([C@@H]2Nc3ccc(CC)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018272 564074208 /nfs/dbraw/zinc/07/42/08/564074208.db2.gz PDJZFUOYLQAIPF-VJBMBRPKSA-N 0 0 347.458 4.896 50 30 EJEARN C=CCn1c2ccccc2nc1NCc1ccc(Br)cc1 ZINC000000617467 564074625 /nfs/dbraw/zinc/07/46/25/564074625.db2.gz VXNMPCWNOCSOBO-UHFFFAOYSA-N 0 0 342.240 4.597 50 30 EJEARN CCCN(CCC)c1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000015831982 564076074 /nfs/dbraw/zinc/07/60/74/564076074.db2.gz KCTMDACLBVANAA-UHFFFAOYSA-N 0 0 340.496 4.672 50 30 EJEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346330 564076573 /nfs/dbraw/zinc/07/65/73/564076573.db2.gz YJSXWOYIDNPTIW-IRYZXUJRSA-N 0 0 344.495 4.808 50 30 EJEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000006341121 564077424 /nfs/dbraw/zinc/07/74/24/564077424.db2.gz DCKMBLQYHJECGB-JXMROGBWSA-N 0 0 333.309 4.560 50 30 EJEARN CCN(Cc1ccc(Cl)s1)Cc1cn2ccccc2c1C#N ZINC000012904540 564077790 /nfs/dbraw/zinc/07/77/90/564077790.db2.gz ZBSBRYHINRLVSP-UHFFFAOYSA-N 0 0 329.856 4.548 50 30 EJEARN C=C(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](O)c1ccc(C)cc1 ZINC000000333834 564082561 /nfs/dbraw/zinc/08/25/61/564082561.db2.gz WNLJAJJUYGFZIA-NMLACTOBSA-N 0 0 330.468 4.589 50 30 EJEARN Cc1ccccc1[C@H]1[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)C1(C#N)C#N ZINC000006238729 564083204 /nfs/dbraw/zinc/08/32/04/564083204.db2.gz UBBBGSCFVIIMPQ-JFNYDKOCSA-N 0 0 344.458 4.527 50 30 EJEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000001951024 564090347 /nfs/dbraw/zinc/09/03/47/564090347.db2.gz ARZXNFGCSZPMSA-CJLVFECKSA-N 0 0 326.355 4.745 50 30 EJEARN C=C(C)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000000408773 564090509 /nfs/dbraw/zinc/09/05/09/564090509.db2.gz YJRZNERAOQWLTL-UHFFFAOYSA-N 0 0 334.415 4.956 50 30 biogenic EJEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc(F)c(Cl)c1 ZINC000064438695 564091287 /nfs/dbraw/zinc/09/12/87/564091287.db2.gz DLWYTMANAALSLA-UHFFFAOYSA-N 0 0 327.746 4.651 50 30 EJEARN Cc1ccc(-c2cccnc2)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC000369595450 564092226 /nfs/dbraw/zinc/09/22/26/564092226.db2.gz PDRXBQDBKWGMRF-UHFFFAOYSA-N 0 0 348.450 4.509 50 30 EJEARN N#Cc1cc2c(nc1-c1cc3ccccc3o1)oc1ccccc1c2=O ZINC000006585775 564092264 /nfs/dbraw/zinc/09/22/64/564092264.db2.gz LLYHPJFVRQRELB-UHFFFAOYSA-N 0 0 338.322 4.626 50 30 EJEARN N#Cc1ccccc1CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000006588993 564092398 /nfs/dbraw/zinc/09/23/98/564092398.db2.gz WNCNXLBUUAPAJL-UHFFFAOYSA-N 0 0 345.349 4.813 50 30 EJEARN N#C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000426442526 564093762 /nfs/dbraw/zinc/09/37/62/564093762.db2.gz KREONHRJZDZKTF-ZDUSSCGKSA-N 0 0 342.801 4.522 50 30 EJEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCC(C)CC2)cc1 ZINC000006768558 564097431 /nfs/dbraw/zinc/09/74/31/564097431.db2.gz LNMYUHPBVFWVJL-UHFFFAOYSA-N 0 0 347.466 4.754 50 30 EJEARN COc1ccccc1C1(CNc2snc(Cl)c2C#N)CCCC1 ZINC000064915904 564097658 /nfs/dbraw/zinc/09/76/58/564097658.db2.gz BWXKNMIDNHAEAA-UHFFFAOYSA-N 0 0 347.871 4.601 50 30 EJEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000007017124 564103191 /nfs/dbraw/zinc/10/31/91/564103191.db2.gz VWQAUXGYSPCPSA-BONVTDFDSA-N 0 0 345.295 4.528 50 30 EJEARN CC(C)n1c(S[C@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl ZINC000007058866 564104037 /nfs/dbraw/zinc/10/40/37/564104037.db2.gz ZKUYNVJURIWEJR-SECBINFHSA-N 0 0 341.267 4.837 50 30 EJEARN N#Cc1nc(-c2cccc3ccccc32)oc1SCc1ccccc1 ZINC000238950605 564105770 /nfs/dbraw/zinc/10/57/70/564105770.db2.gz YXJCLILMSIXAAQ-UHFFFAOYSA-N 0 0 342.423 5.659 50 30 EJEARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1cccc(F)c1C#N ZINC000526052236 564108686 /nfs/dbraw/zinc/10/86/86/564108686.db2.gz HWCVSSSDULVRML-UHFFFAOYSA-N 0 0 342.757 4.966 50 30 EJEARN N#Cc1cccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000170621519 564110217 /nfs/dbraw/zinc/11/02/17/564110217.db2.gz XNPGPIJDVLWXEO-HXUWFJFHSA-N 0 0 331.419 4.632 50 30 EJEARN C[C@H](Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000089913662 564115235 /nfs/dbraw/zinc/11/52/35/564115235.db2.gz NKEBYUZFSYJNED-LBPRGKRZSA-N 0 0 338.798 4.629 50 30 EJEARN CCN(CC)c1ccc(N=Cc2ccc(N(CC)CC)cc2O)cc1 ZINC000252461237 564118715 /nfs/dbraw/zinc/11/87/15/564118715.db2.gz LNYQEQXQKKKFCI-UHFFFAOYSA-N 0 0 339.483 4.835 50 30 EJEARN CC(C)c1cnc(SCCCC2(C#N)CCOCC2)n1C(C)C ZINC000252480048 564119185 /nfs/dbraw/zinc/11/91/85/564119185.db2.gz BSXIYTYCPRSTMF-UHFFFAOYSA-N 0 0 335.517 4.780 50 30 EJEARN Cc1ccc(N=C2S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1C ZINC000252614419 564121984 /nfs/dbraw/zinc/12/19/84/564121984.db2.gz JIZHFUJUJKQBCG-RZZJTRJGSA-N 0 0 340.423 4.676 50 30 EJEARN C=CCN=c1sc(C)c(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000252620143 564122343 /nfs/dbraw/zinc/12/23/43/564122343.db2.gz LYDRVSIUKQECTE-UHFFFAOYSA-N 0 0 336.460 4.610 50 30 EJEARN CC(=O)Nc1ccc(N=C/C=C\c2ccc(Br)cc2)cc1 ZINC000252625718 564123254 /nfs/dbraw/zinc/12/32/54/564123254.db2.gz QPZXMXOZBQTFCC-TWWJHWNPSA-N 0 0 343.224 4.823 50 30 EJEARN C=CCSc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002224324 564124093 /nfs/dbraw/zinc/12/40/93/564124093.db2.gz PVMIBSCKOXRXTR-UHFFFAOYSA-N 0 0 338.523 4.543 50 30 EJEARN Cc1[nH]c2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(C)C1=O ZINC000252634654 564124560 /nfs/dbraw/zinc/12/45/60/564124560.db2.gz WPYPTDXHCKHHJZ-FNLGWUMESA-N 0 0 347.443 4.710 50 30 EJEARN N#CCCSc1ccccc1NC(=O)c1cnc2ccsc2c1 ZINC000253430411 564131342 /nfs/dbraw/zinc/13/13/42/564131342.db2.gz ZIHDACMMDLUFRD-UHFFFAOYSA-N 0 0 339.445 4.554 50 30 EJEARN N#Cc1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000000118584 564132865 /nfs/dbraw/zinc/13/28/65/564132865.db2.gz MAMYLEOQCCQORR-UHFFFAOYSA-N 0 0 344.417 4.737 50 30 EJEARN CSc1sc(C(=O)NC2CC2)c(-c2ccc(Cl)cc2)c1C#N ZINC000000126395 564132884 /nfs/dbraw/zinc/13/28/84/564132884.db2.gz PXBSEIDGHNTUBE-UHFFFAOYSA-N 0 0 348.880 4.554 50 30 EJEARN CC(C)(C)c1ccc(CSCC(=O)Nc2ccccc2C#N)cc1 ZINC000000172953 564132979 /nfs/dbraw/zinc/13/29/79/564132979.db2.gz VENBSWKLNCODKR-UHFFFAOYSA-N 0 0 338.476 4.728 50 30 EJEARN N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCCCCC2 ZINC000000226409 564133034 /nfs/dbraw/zinc/13/30/34/564133034.db2.gz QOLGQENCBUTYGJ-UHFFFAOYSA-N 0 0 338.476 4.850 50 30 EJEARN CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000000319886 564133125 /nfs/dbraw/zinc/13/31/25/564133125.db2.gz PPAYDSUIRIRZDI-UHFFFAOYSA-N 0 0 344.439 4.968 50 30 EJEARN N#Cc1cc2c(nc1SCc1ccccc1C(F)(F)F)CCC2 ZINC000000614433 564133480 /nfs/dbraw/zinc/13/34/80/564133480.db2.gz CWBLSNXRSGLFHO-UHFFFAOYSA-N 0 0 334.366 4.753 50 30 EJEARN COc1ccccc1-n1cnc2cc(/N=C/c3cccs3)ccc21 ZINC000002358192 564133589 /nfs/dbraw/zinc/13/35/89/564133589.db2.gz JSHWVQFPBYXKIM-UDWIEESQSA-N 0 0 333.416 4.846 50 30 EJEARN C=CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000012811064 564135647 /nfs/dbraw/zinc/13/56/47/564135647.db2.gz RUHQZSXDDLVUJC-UHFFFAOYSA-N 0 0 340.473 4.504 50 30 EJEARN Cc1sc(NC(=O)c2ccncc2)c(C#N)c1-c1ccc(C)c(C)c1 ZINC000013328084 564136228 /nfs/dbraw/zinc/13/62/28/564136228.db2.gz KUVSJKMUEYXCSI-UHFFFAOYSA-N 0 0 347.443 4.859 50 30 EJEARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc(C2CC2)n1 ZINC000328593619 564136784 /nfs/dbraw/zinc/13/67/84/564136784.db2.gz OJZPUQQPADUCGV-UHFFFAOYSA-N 0 0 326.444 4.691 50 30 EJEARN O=C1NC(=Nc2cccc(C(F)(F)F)c2)C(=Cc2cccnc2)S1 ZINC000095473498 564141323 /nfs/dbraw/zinc/14/13/23/564141323.db2.gz GSSRMGYBEFUMJL-NTUHNPAUSA-N 0 0 349.337 4.832 50 30 EJEARN CSc1ccccc1C(=O)Nc1ccccc1SCCC#N ZINC000095953477 564142430 /nfs/dbraw/zinc/14/24/30/564142430.db2.gz PJRVPYUHNUEBKM-UHFFFAOYSA-N 0 0 328.462 4.667 50 30 EJEARN COc1ccc2cc(/C=C\C(=O)c3ccc(OC)c(OC)c3)ccc2c1 ZINC000096766938 564148944 /nfs/dbraw/zinc/14/89/44/564148944.db2.gz NAJDBZARIDQMRZ-YHYXMXQVSA-N 0 0 348.398 4.762 50 30 EJEARN Cc1ccc(C)c(NC(=O)c2cc(C#N)c3c4ccccc4ccn23)c1 ZINC000002544920 564150597 /nfs/dbraw/zinc/15/05/97/564150597.db2.gz UMKFNFQRWUKOQL-UHFFFAOYSA-N 0 0 339.398 4.833 50 30 EJEARN CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O ZINC000028182582 564150605 /nfs/dbraw/zinc/15/06/05/564150605.db2.gz UMXJWAZDLVQBHI-NDENLUEZSA-N 0 0 347.414 4.985 50 30 EJEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccco1 ZINC000254616326 564150968 /nfs/dbraw/zinc/15/09/68/564150968.db2.gz NMEMEHVGGOVBHQ-UHFFFAOYSA-N 0 0 328.437 4.670 50 30 EJEARN N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000002765828 564152478 /nfs/dbraw/zinc/15/24/78/564152478.db2.gz RMONXVYIYWHKFM-HZPDHXFCSA-N 0 0 336.460 4.631 50 30 EJEARN CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000002767419 564152495 /nfs/dbraw/zinc/15/24/95/564152495.db2.gz GVVZJQRBVQKKFE-UHFFFAOYSA-N 0 0 340.448 4.540 50 30 EJEARN Oc1ccc(Br)cc1/C=N/Cc1ccc(F)c(Cl)c1 ZINC000057411939 564154027 /nfs/dbraw/zinc/15/40/27/564154027.db2.gz PNVHOSYIROTABJ-QGMBQPNBSA-N 0 0 342.595 4.566 50 30 EJEARN CCCCCCCCC[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000003115089 564155217 /nfs/dbraw/zinc/15/52/17/564155217.db2.gz CXNATEZOVVRARQ-RTBURBONSA-N 0 0 342.483 4.949 50 30 biogenic EJEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000003210961 564155990 /nfs/dbraw/zinc/15/59/90/564155990.db2.gz YBFXPKMRPYKNTA-UHFFFAOYSA-N 0 0 345.836 4.649 50 30 EJEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003445294 564158182 /nfs/dbraw/zinc/15/81/82/564158182.db2.gz WIJFKDICSPPLGN-INIZCTEOSA-N 0 0 342.398 4.631 50 30 EJEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1F ZINC000606422389 564159783 /nfs/dbraw/zinc/15/97/83/564159783.db2.gz VZGLWKFSFPRJOA-UHFFFAOYSA-N 0 0 335.382 4.729 50 30 EJEARN COc1ccc(-c2csc(SCc3ccc(C#N)cc3)n2)cc1 ZINC000008492858 564165456 /nfs/dbraw/zinc/16/54/56/564165456.db2.gz GFDFSQPQHYHNCA-UHFFFAOYSA-N 0 0 338.457 4.983 50 30 EJEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)cc2)n1 ZINC000008843582 564167453 /nfs/dbraw/zinc/16/74/53/564167453.db2.gz ZJQHARDTAUCZQH-UHFFFAOYSA-N 0 0 326.318 4.712 50 30 EJEARN O=c1ccc2c([nH]1)CCC[C@@H]2/N=C/c1sc2ccccc2c1Cl ZINC000069487557 564169857 /nfs/dbraw/zinc/16/98/57/564169857.db2.gz RCFURXBWPZQGSG-NPNVKNKFSA-N 0 0 342.851 4.740 50 30 EJEARN C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(F)cc1Cl ZINC000069588921 564170738 /nfs/dbraw/zinc/17/07/38/564170738.db2.gz UKAFRADHCNGEOH-LLVKDONJSA-N 0 0 348.830 4.983 50 30 EJEARN