smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCCCO1 ZINC000328718737 1089864161 /nfs/dbraw/zinc/86/41/61/1089864161.db2.gz VEBKPKKQTUTAKW-OAHLLOKOSA-N 0 0 361.442 4.268 50 30 FIEARN Cc1csc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1Cl ZINC000331109012 1091198076 /nfs/dbraw/zinc/19/80/76/1091198076.db2.gz SEBPBKROJUHGHC-UHFFFAOYSA-N 0 0 360.866 4.265 50 30 FIEARN CCn1c(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000254708057 1093743175 /nfs/dbraw/zinc/74/31/75/1093743175.db2.gz TWPRDGWXZFYJAI-UHFFFAOYSA-N 0 0 367.365 4.232 50 30 FIEARN CC1(C)C[C@H](NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)c2ccccc2O1 ZINC000329304147 1094830411 /nfs/dbraw/zinc/83/04/11/1094830411.db2.gz XSQYKXOCIPWBFD-DLBZAZTESA-N 0 0 354.454 4.153 50 30 FIEARN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cscc1C(F)(F)F ZINC000598817774 1106881431 /nfs/dbraw/zinc/88/14/31/1106881431.db2.gz AVYABPLZECXCJT-INIZCTEOSA-N 0 0 352.381 4.412 50 30 FIEARN C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000225525316 1115199450 /nfs/dbraw/zinc/19/94/50/1115199450.db2.gz QFBQLXDSHZHVQU-SUCHYCSPSA-N 0 0 353.425 4.363 50 30 FIEARN COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O ZINC000012935772 1124710762 /nfs/dbraw/zinc/71/07/62/1124710762.db2.gz QKUOIEFUXUDMQC-BQYQJAHWSA-N 0 0 371.820 4.077 50 30 FIEARN Cc1cc(I)ccc1NC1=CC(=O)CC(C)(C)C1 ZINC000001185180 219386636 /nfs/dbraw/zinc/38/66/36/219386636.db2.gz GNVTZLHZDRZPDG-UHFFFAOYSA-N 0 0 355.219 4.285 50 30 FIEARN Cc1cc(C2=NN/C(=N\c3ccccc3)SC2)c(C)n1C[C@H]1CCCO1 ZINC000005895381 219704425 /nfs/dbraw/zinc/70/44/25/219704425.db2.gz LFXKXSDBQUSAHV-QGZVFWFLSA-N 0 0 368.506 4.012 50 30 FIEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331551 203823967 /nfs/dbraw/zinc/82/39/67/203823967.db2.gz ZCUPTGVWGPFABC-LJQANCHMSA-N 0 0 359.429 4.220 50 30 FIEARN C=CCn1cnn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S ZINC000008111242 203850691 /nfs/dbraw/zinc/85/06/91/203850691.db2.gz ZKIIZDNRXOVWMV-UHFFFAOYSA-N 0 0 371.535 4.047 50 30 FIEARN C=CCN(C(=O)c1cc(=O)[nH]c2ccccc21)c1nc2c(s1)CCCC2 ZINC000015969069 203858203 /nfs/dbraw/zinc/85/82/03/203858203.db2.gz SHNAUHWSWQOPDM-UHFFFAOYSA-N 0 0 365.458 4.109 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1F)Nc1ccccc1-2 ZINC000002073583 203860694 /nfs/dbraw/zinc/86/06/94/203860694.db2.gz BKYYEIAMTKALHZ-QGZVFWFLSA-N 0 0 366.421 4.459 50 30 FIEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000001786552 203861331 /nfs/dbraw/zinc/86/13/31/203861331.db2.gz GHPXPFPOBQTRGE-ATVHPVEESA-N 0 0 369.467 4.363 50 30 FIEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2ccnc2)c1Cc1ccccc1 ZINC000000638330 203936783 /nfs/dbraw/zinc/93/67/83/203936783.db2.gz MSVDFOPCLPAWJJ-UHFFFAOYSA-N 0 0 363.424 4.444 50 30 FIEARN Cc1ccc(NC(=S)N/N=C/c2ccc(Br)s2)cc1 ZINC000000671785 203940727 /nfs/dbraw/zinc/94/07/27/203940727.db2.gz ICPIEUVVXTXVFT-OVCLIPMQSA-N 0 0 354.298 4.140 50 30 FIEARN CCOC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000000988620 203970112 /nfs/dbraw/zinc/97/01/12/203970112.db2.gz YYWVTBYSLLUBIH-IBGZPJMESA-N 0 0 359.425 4.160 50 30 FIEARN N#Cc1cnc2sc(-c3ncc(C(F)(F)F)cc3Cl)c(N)c2c1 ZINC000001397360 204004427 /nfs/dbraw/zinc/00/44/27/204004427.db2.gz FLLYQZCYVASDBW-UHFFFAOYSA-N 0 0 354.744 4.484 50 30 FIEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc(F)cc1F ZINC000001881068 204022865 /nfs/dbraw/zinc/02/28/65/204022865.db2.gz WYCLSENHWYKVOC-NUGSKGIGSA-N 0 0 367.380 4.285 50 30 FIEARN CCNC(=S)N=NCc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000001969051 204023881 /nfs/dbraw/zinc/02/38/81/204023881.db2.gz HXRJELCRGDMZQB-UFFVCSGVSA-N 0 0 365.861 4.287 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000002205011 204028566 /nfs/dbraw/zinc/02/85/66/204028566.db2.gz CTEUILIVXVVQJX-CTNGQTDRSA-N 0 0 350.414 4.015 50 30 FIEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(Cl)cc1Cl ZINC000002268297 204031850 /nfs/dbraw/zinc/03/18/50/204031850.db2.gz KOPLJFBRFJZMEN-ODCIPOBUSA-N 0 0 357.200 4.067 50 30 FIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(OCC)cc2)cc1 ZINC000003051087 204076165 /nfs/dbraw/zinc/07/61/65/204076165.db2.gz VCUWEPPGIWOMCB-RCCKNPSSSA-N 0 0 370.522 4.252 50 30 FIEARN N#CCOC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000003330500 204092207 /nfs/dbraw/zinc/09/22/07/204092207.db2.gz BGTIQOPGTPAMGS-UHFFFAOYSA-N 0 0 367.202 4.345 50 30 FIEARN C=CCSc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000002616547 204045379 /nfs/dbraw/zinc/04/53/79/204045379.db2.gz XPSGHZQRNAAYFS-UHFFFAOYSA-N 0 0 360.291 4.304 50 30 FIEARN Cc1c(C#N)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc1C(=O)OC(C)C ZINC000002736340 204053452 /nfs/dbraw/zinc/05/34/52/204053452.db2.gz UUVBPUBIBLYNNT-GJZGRUSLSA-N 0 0 368.458 4.236 50 30 FIEARN N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002766686 204055358 /nfs/dbraw/zinc/05/53/58/204055358.db2.gz BPPKYAWKHFCYBX-NEPJUHHUSA-N 0 0 371.160 4.178 50 30 FIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000003894016 204112730 /nfs/dbraw/zinc/11/27/30/204112730.db2.gz DAOGDTKBDOELAA-CQSZACIVSA-N 0 0 368.389 4.055 50 30 FIEARN CNc1nc(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000004090014 204120562 /nfs/dbraw/zinc/12/05/62/204120562.db2.gz INGBQAFMTBLRJZ-UHFFFAOYSA-N 0 0 355.323 4.138 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1 ZINC000004119642 204121663 /nfs/dbraw/zinc/12/16/63/204121663.db2.gz AUJXMNWHWIFADL-VQIMIIECSA-N 0 0 356.443 4.076 50 30 FIEARN CN(C)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)CCCC4)cc1 ZINC000004116837 204122152 /nfs/dbraw/zinc/12/21/52/204122152.db2.gz GUHLDDUULKLZMJ-SSDVNMTOSA-N 0 0 351.479 4.082 50 30 FIEARN CNC(=NC(=O)Nc1c(C)cccc1C)NC([O-])=[NH+]c1c(C)cccc1C ZINC000004110406 204122474 /nfs/dbraw/zinc/12/24/74/204122474.db2.gz GKIUUVWTTVWLII-UHFFFAOYSA-N 0 0 367.453 4.054 50 30 FIEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(CCc1ccccc1)CC2 ZINC000004170430 204124909 /nfs/dbraw/zinc/12/49/09/204124909.db2.gz PTJOMOVMIOBQPI-UHFFFAOYSA-N 0 0 352.441 4.273 50 30 FIEARN N#CC(=NNc1ccccc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004175405 204125855 /nfs/dbraw/zinc/12/58/55/204125855.db2.gz UVMZHEKVJOLXBG-PXLXIMEGSA-N 0 0 367.365 4.197 50 30 FIEARN N#CC(=NNc1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000004194554 204127000 /nfs/dbraw/zinc/12/70/00/204127000.db2.gz BNIBXBMAKYGIHJ-DEDYPNTBSA-N 0 0 357.236 4.399 50 30 FIEARN N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000003355980 204094613 /nfs/dbraw/zinc/09/46/13/204094613.db2.gz ARNSAENSAUCAFC-UHFFFAOYSA-N 0 0 350.809 4.369 50 30 FIEARN CC1=C(OC(C)C)[C@]2(O[C@@H](C)C(c3ccccc3)(c3ccccc3)O2)C1=O ZINC000004649150 204152283 /nfs/dbraw/zinc/15/22/83/204152283.db2.gz VEJMFBKFPIFTRC-SBUREZEXSA-N 0 0 364.441 4.344 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(CC)cc1 ZINC000004678806 204153990 /nfs/dbraw/zinc/15/39/90/204153990.db2.gz KBDJGCGBFLEEKW-HXUWFJFHSA-N 0 0 373.452 4.381 50 30 FIEARN CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc3ccccc3n21 ZINC000004684662 204155064 /nfs/dbraw/zinc/15/50/64/204155064.db2.gz PPLUNLOFBAGTIY-OAQYLSRUSA-N 0 0 359.429 4.457 50 30 FIEARN Cc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(F)cc3)CC2=Nc2ncnn21 ZINC000004782821 204162713 /nfs/dbraw/zinc/16/27/13/204162713.db2.gz OYYMJMKWGYHMLF-BTYIYWSLSA-N 0 0 374.419 4.141 50 30 FIEARN Cc1cccc(C[C@@H]2S/C(=N/N=C/c3cccc4ccccc34)NC2=O)c1 ZINC000004813748 204165869 /nfs/dbraw/zinc/16/58/69/204165869.db2.gz HEZZDYQMGZYVNA-BTVXTAIASA-N 0 0 373.481 4.312 50 30 FIEARN O=C1CC(c2ccco2)CC(=O)C1=CNc1ccc(Br)cc1 ZINC000004817123 204166007 /nfs/dbraw/zinc/16/60/07/204166007.db2.gz YTANZYMMQWYPOS-UHFFFAOYSA-N 0 0 360.207 4.054 50 30 aggregator FIEARN O=C1c2ccccc2C(=O)C(N2CCCCC2)=C1Nc1cccc(F)c1 ZINC000004819538 204167266 /nfs/dbraw/zinc/16/72/66/204167266.db2.gz PHEFKCZERNZYEV-UHFFFAOYSA-N 0 0 350.393 4.014 50 30 FIEARN N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004323138 204133203 /nfs/dbraw/zinc/13/32/03/204133203.db2.gz ZOJARJOAAKHKLW-UHFFFAOYSA-N 0 0 353.212 4.186 50 30 FIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 ZINC000004331392 204133500 /nfs/dbraw/zinc/13/35/00/204133500.db2.gz GSEQRLIGAGQEPY-CYBMUJFWSA-N 0 0 372.519 4.043 50 30 FIEARN COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(OC)c3O)nc1-2 ZINC000004351920 204135376 /nfs/dbraw/zinc/13/53/76/204135376.db2.gz KBWFORUCHXMMKH-SRZZPIQSSA-N 0 0 366.442 4.382 50 30 FIEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000004454701 204139983 /nfs/dbraw/zinc/13/99/83/204139983.db2.gz MHKBGZWTSFAJSU-UHFFFAOYSA-N 0 0 367.257 4.433 50 30 FIEARN Cc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000005347533 204205028 /nfs/dbraw/zinc/20/50/28/204205028.db2.gz ORZJITOAMQSLNL-DYESRHJHSA-N 0 0 356.429 4.002 50 30 FIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000005562342 204215511 /nfs/dbraw/zinc/21/55/11/204215511.db2.gz JHZXCXSMDSAGSN-QGZVFWFLSA-N 0 0 353.805 4.104 50 30 FIEARN N#CC(=NNc1cccc(Cl)c1)C(=O)c1ccc(Br)cc1 ZINC000005671152 204220072 /nfs/dbraw/zinc/22/00/72/204220072.db2.gz OAUOMDVOWDMIHT-XSFVSMFZSA-N 0 0 362.614 4.277 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(F)c1 ZINC000004918213 204175713 /nfs/dbraw/zinc/17/57/13/204175713.db2.gz ZZDMYNIDQBXGJC-PZJWPPBQSA-N 0 0 368.404 4.154 50 30 FIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000004916051 204175827 /nfs/dbraw/zinc/17/58/27/204175827.db2.gz MUVMMCBVNFXELM-HOCLYGCPSA-N 0 0 367.470 4.151 50 30 FIEARN CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000004913949 204176036 /nfs/dbraw/zinc/17/60/36/204176036.db2.gz PLXAXNGGZSCJSZ-ZFWWWQNUSA-N 0 0 369.511 4.474 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1 ZINC000004918570 204176099 /nfs/dbraw/zinc/17/60/99/204176099.db2.gz YNICVHFUYGBONU-FPOVZHCZSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 ZINC000004920096 204176676 /nfs/dbraw/zinc/17/66/76/204176676.db2.gz ZVVVKJSVHCCOLC-IFMALSPDSA-N 0 0 364.441 4.323 50 30 FIEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000005101061 204192275 /nfs/dbraw/zinc/19/22/75/204192275.db2.gz KIZGFJLEGQQBJQ-QFIPXVFZSA-N 0 0 361.445 4.389 50 30 FIEARN COc1cccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)c1 ZINC000005932592 204231140 /nfs/dbraw/zinc/23/11/40/204231140.db2.gz YJKVTWKNXTYGQX-AZFHKVEGSA-N 0 0 370.865 4.356 50 30 FIEARN COc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000006409260 204246765 /nfs/dbraw/zinc/24/67/65/204246765.db2.gz UIIDYQOMPWUANZ-UHFFFAOYSA-N 0 0 358.397 4.251 50 30 FIEARN COc1ccc(Cl)cc1-c1nc(SCc2ccc(C#N)cc2)n[nH]1 ZINC000006464088 204249756 /nfs/dbraw/zinc/24/97/56/204249756.db2.gz HXKLTCBDGOCPEC-UHFFFAOYSA-N 0 0 356.838 4.298 50 30 FIEARN CC(C)c1ccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 ZINC000006616954 204257327 /nfs/dbraw/zinc/25/73/27/204257327.db2.gz NOBGYHAJUOCJJT-ZVCOJXFSSA-N 0 0 357.504 4.036 50 30 FIEARN CCn1cc(Br)c(C(=O)/C=C/c2ccc(OC(F)F)cc2)n1 ZINC000006636001 204257621 /nfs/dbraw/zinc/25/76/21/204257621.db2.gz UMPKEAQXACDTMM-VMPITWQZSA-N 0 0 371.181 4.163 50 30 FIEARN Cc1sc(NC(=O)COc2ccccc2C#N)nc1-c1ccc(F)cc1 ZINC000007007145 204286254 /nfs/dbraw/zinc/28/62/54/204286254.db2.gz XAYRKIOEERHXNP-UHFFFAOYSA-N 0 0 367.405 4.147 50 30 FIEARN C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000007108743 204289038 /nfs/dbraw/zinc/28/90/38/204289038.db2.gz PKFNBNOHGBUUKM-JTQLQIEISA-N 0 0 363.200 4.049 50 30 FIEARN COCc1cc(C)nc2sc(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)c21 ZINC000006659465 204259405 /nfs/dbraw/zinc/25/94/05/204259405.db2.gz MJDKCTWGWSRCJE-AWQFTUOYSA-N 0 0 366.402 4.282 50 30 FIEARN CCCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000006738232 204264393 /nfs/dbraw/zinc/26/43/93/204264393.db2.gz AVDPAPXNTNLKGU-QGZVFWFLSA-N 0 0 372.469 4.331 50 30 FIEARN O=C1C[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819947 204274032 /nfs/dbraw/zinc/27/40/32/204274032.db2.gz OXZUXFYXLROYHI-BBRMVZONSA-N 0 0 367.832 4.050 50 30 FIEARN C=CCn1c(=S)n(CN2CCC[C@@H]3CCCC[C@H]32)nc1-c1cccnc1 ZINC000036390198 204351973 /nfs/dbraw/zinc/35/19/73/204351973.db2.gz WGSVHGOUGIJFSK-FUHWJXTLSA-N 0 0 369.538 4.274 50 30 FIEARN C#CCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)ccc1OC ZINC000036353533 204354893 /nfs/dbraw/zinc/35/48/93/204354893.db2.gz ULBGBIMLTRJMNR-KRWDZBQOSA-N 0 0 373.412 4.017 50 30 FIEARN O=C1C[C@H](/C=C/c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000009190048 204356741 /nfs/dbraw/zinc/35/67/41/204356741.db2.gz UNLYGRGVEDSGDH-KAKVHWSPSA-N 0 0 368.440 4.240 50 30 FIEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C1 ZINC000009329542 204363747 /nfs/dbraw/zinc/36/37/47/204363747.db2.gz RQPISYZBHZZSAV-IIBYNOLFSA-N 0 0 356.429 4.002 50 30 FIEARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(C#N)cc1 ZINC000010510528 204398539 /nfs/dbraw/zinc/39/85/39/204398539.db2.gz FPGLCEKODLWNPX-UHFFFAOYSA-N 0 0 371.400 4.396 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012911125 204508758 /nfs/dbraw/zinc/50/87/58/204508758.db2.gz PJGRJVMTGJTKRU-UHFFFAOYSA-N 0 0 353.809 4.176 50 30 FIEARN Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000013570253 204536346 /nfs/dbraw/zinc/53/63/46/204536346.db2.gz VLQXBHYDFCEKEJ-UZLBHIALSA-N 0 0 357.413 4.336 50 30 FIEARN N#Cc1ccc(OCCSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000036807260 205022135 /nfs/dbraw/zinc/02/21/35/205022135.db2.gz CRQNZBFALHLXAF-UHFFFAOYSA-N 0 0 356.838 4.168 50 30 FIEARN Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1 ZINC000039275971 205045221 /nfs/dbraw/zinc/04/52/21/205045221.db2.gz IXQFIPAUGYSVEN-UHFFFAOYSA-N 0 0 351.427 4.153 50 30 FIEARN Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cnc(N2CCCC2)nc1 ZINC000044026800 205105517 /nfs/dbraw/zinc/10/55/17/205105517.db2.gz CYYCDFMFWVOTBY-BQYQJAHWSA-N 0 0 356.495 4.035 50 30 FIEARN CSc1nc(C2CC2)cc(C(=O)NCC2(c3ccccc3)CC2)c1C#N ZINC000048290799 205157107 /nfs/dbraw/zinc/15/71/07/205157107.db2.gz LLKJTGAFGYVMKF-UHFFFAOYSA-N 0 0 363.486 4.014 50 30 FIEARN CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 ZINC000050400374 205177766 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CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 ZINC000005376472 206192373 /nfs/dbraw/zinc/19/23/73/206192373.db2.gz XMARWRLMRPHONZ-PDGQHHTCSA-N 0 0 368.458 4.158 50 30 FIEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)c(C)c2)C1 ZINC000005235911 206192493 /nfs/dbraw/zinc/19/24/93/206192493.db2.gz MLLISNKAWRNISU-HNNXBMFYSA-N 0 0 363.848 4.152 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000004844155 206181087 /nfs/dbraw/zinc/18/10/87/206181087.db2.gz VGWAAZWZWIXQIV-WFASDCNBSA-N 0 0 355.419 4.232 50 30 FIEARN C=CCN1C(=O)/C(=C/c2c(C)cn(-c3ccccc3)c2C)SC1=S ZINC000004798179 206181345 /nfs/dbraw/zinc/18/13/45/206181345.db2.gz KZGLQZFCQOMMRS-BOPFTXTBSA-N 0 0 354.500 4.481 50 30 FIEARN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 ZINC000007236303 206207561 /nfs/dbraw/zinc/20/75/61/206207561.db2.gz VEZUVOOYAHIPBG-UHFFFAOYSA-N 0 0 370.865 4.211 50 30 FIEARN CC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000000988990 206225019 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372.804 4.287 50 30 FIEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=CC=Cc2ccco2)c1 ZINC000009359822 263360971 /nfs/dbraw/zinc/36/09/71/263360971.db2.gz CCSVHSTZLODRQG-MOPJDAFUSA-N 0 0 354.435 4.161 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1C ZINC000009328157 263361294 /nfs/dbraw/zinc/36/12/94/263361294.db2.gz BPCKRJYETGTWDF-UHFFFAOYSA-N 0 0 374.469 4.286 50 30 FIEARN N#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1 ZINC000426402194 263577688 /nfs/dbraw/zinc/57/76/88/263577688.db2.gz ZATAUUMFLUAVJJ-UHFFFAOYSA-N 0 0 360.457 4.258 50 30 FIEARN CC1(C)CC(=O)C=C(N[C@H]2CCCC[C@@H]2NC2=CC(=O)CC(C)(C)C2)C1 ZINC000015022473 517504966 /nfs/dbraw/zinc/50/49/66/517504966.db2.gz ADMFYXMNRHBGPX-PMACEKPBSA-N 0 0 358.526 4.023 50 30 FIEARN C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 ZINC000216828593 518295592 /nfs/dbraw/zinc/29/55/92/518295592.db2.gz BYFNNZYQPRZCEZ-UHFFFAOYSA-N 0 0 358.821 4.416 50 30 FIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000006262586 518796065 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CC(=O)O[C@H]1C[C@@H]2[C@H]3CC[C@@H](C(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254507934 519758171 /nfs/dbraw/zinc/75/81/71/519758171.db2.gz SUCNAJORKZIPDF-UUHQUXNKSA-N 0 0 372.505 4.265 50 30 FIEARN CCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000001822667 520016032 /nfs/dbraw/zinc/01/60/32/520016032.db2.gz MIPQKURYRCQNLS-UHFFFAOYSA-N 0 0 362.514 4.220 50 30 FIEARN CCCOC(=NC(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000035817625 520205952 /nfs/dbraw/zinc/20/59/52/520205952.db2.gz KEKMLJQNPRZXKP-IBGZPJMESA-N 0 0 354.425 4.416 50 30 FIEARN CCOC(=O)C(=NNc1ccccc1)c1csc(Nc2ccccc2)n1 ZINC000004421542 520396689 /nfs/dbraw/zinc/39/66/89/520396689.db2.gz HKURHPZOMWCKLB-HAVVHWLPSA-N 0 0 366.446 4.266 50 30 FIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O ZINC000009419087 520517683 /nfs/dbraw/zinc/51/76/83/520517683.db2.gz FUHQLVLAWVJSEV-UNOMPAQXSA-N 0 0 367.401 4.152 50 30 FIEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000013059466 520620125 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Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C#Cc2ccccc2)c1 ZINC000011662281 524358259 /nfs/dbraw/zinc/35/82/59/524358259.db2.gz WSRPRIQXRKWDGL-QFIPXVFZSA-N 0 0 369.468 4.034 50 30 FIEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 ZINC000004516868 524650028 /nfs/dbraw/zinc/65/00/28/524650028.db2.gz GOEFLJVKMYLCKR-UHFFFAOYSA-N 0 0 374.444 4.342 50 30 FIEARN Cc1ccccc1CON=C(N)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000063509925 525170360 /nfs/dbraw/zinc/17/03/60/525170360.db2.gz JFWDOFRPJZBPDF-UHFFFAOYSA-N 0 0 351.381 4.159 50 30 FIEARN CSC(=NS(=O)(=O)c1cccs1)Nc1cccc(Cl)c1C ZINC000012589949 525285677 /nfs/dbraw/zinc/28/56/77/525285677.db2.gz QKNYGKBVLHOVDL-UHFFFAOYSA-N 0 0 360.913 4.230 50 30 FIEARN Cc1ccccc1OCc1nnc(SCCC#N)n1-c1ccccc1 ZINC000006039319 525316943 /nfs/dbraw/zinc/31/69/43/525316943.db2.gz YDAKZTVFSKYSSX-UHFFFAOYSA-N 0 0 350.447 4.161 50 30 FIEARN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C(O)C=Cc1c(F)cccc1F ZINC000147713785 525437558 /nfs/dbraw/zinc/43/75/58/525437558.db2.gz VSMVUBJFIOMHHI-KVPUOBJLSA-N 0 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N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCc1ccccc1 ZINC000000730256 568150042 /nfs/dbraw/zinc/15/00/42/568150042.db2.gz RDVSSUVYKNZSFL-UHFFFAOYSA-N 0 0 353.809 4.433 50 30 FIEARN COc1ccccc1OCc1nc(C#N)c(NCc2ccccc2Cl)o1 ZINC000000794769 568236226 /nfs/dbraw/zinc/23/62/26/568236226.db2.gz JAWAEATYYFBMLD-UHFFFAOYSA-N 0 0 369.808 4.399 50 30 FIEARN C=CCn1c(SCc2csc(C)n2)nc2sc(C)c(C)c2c1=O ZINC000002861515 568374918 /nfs/dbraw/zinc/37/49/18/568374918.db2.gz XTMJNJQVZBVTEG-UHFFFAOYSA-N 0 0 363.533 4.318 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000625731 570439583 /nfs/dbraw/zinc/43/95/83/570439583.db2.gz JXYMVQBVUFAUOC-OAHLLOKOSA-N 0 0 366.244 4.134 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)ccc1C ZINC000000625591 570439624 /nfs/dbraw/zinc/43/96/24/570439624.db2.gz DSIVMOSQFGSTFU-HXUWFJFHSA-N 0 0 367.489 4.471 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000909352 570463578 /nfs/dbraw/zinc/46/35/78/570463578.db2.gz 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Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1c(Cl)cccc1Cl ZINC000102907901 570841394 /nfs/dbraw/zinc/84/13/94/570841394.db2.gz YXXNUIGLOLNJDA-UHFFFAOYSA-N 0 0 372.215 4.007 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000016741484 570861529 /nfs/dbraw/zinc/86/15/29/570861529.db2.gz WCLJLNUXINMFCT-KRWDZBQOSA-N 0 0 371.458 4.135 50 30 FIEARN Cc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000018068389 570874533 /nfs/dbraw/zinc/87/45/33/570874533.db2.gz PUSARRHXBPYNEK-HJWRWDBZSA-N 0 0 361.195 4.474 50 30 FIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000018244445 570877286 /nfs/dbraw/zinc/87/72/86/570877286.db2.gz ABVZXJOLTMVWMG-FQEVSTJZSA-N 0 0 350.418 4.443 50 30 FIEARN N#CC1(c2ccccc2)CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000020405909 570915743 /nfs/dbraw/zinc/91/57/43/570915743.db2.gz KURKINSTOZOKSD-UHFFFAOYSA-N 0 0 350.853 4.045 50 30 FIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)cc1 ZINC000046125194 570926633 /nfs/dbraw/zinc/92/66/33/570926633.db2.gz 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C=CCN1C(=O)c2[nH]nc(-c3ccc(C)cc3O)c2[C@H]1c1ccc(C)cc1 ZINC000008845758 571062915 /nfs/dbraw/zinc/06/29/15/571062915.db2.gz TXLCMXKUTDQGLQ-OAQYLSRUSA-N 0 0 359.429 4.130 50 30 FIEARN N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1Cl ZINC000012741512 571063403 /nfs/dbraw/zinc/06/34/03/571063403.db2.gz DUFWSWOYKFDXSU-UHFFFAOYSA-N 0 0 368.849 4.333 50 30 FIEARN Cc1nn(-c2ccc(C(=O)Nc3ccccc3C#N)cc2)c(C)c1Cl ZINC000068233922 571064216 /nfs/dbraw/zinc/06/42/16/571064216.db2.gz TUXFPYZDJKGIJC-UHFFFAOYSA-N 0 0 350.809 4.267 50 30 FIEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccnc2ccccc12 ZINC000063868960 571072285 /nfs/dbraw/zinc/07/22/85/571072285.db2.gz MHUBPFMSDWEAIE-UHFFFAOYSA-N 0 0 356.429 4.473 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)cn1 ZINC000065395514 571073801 /nfs/dbraw/zinc/07/38/01/571073801.db2.gz RGEVFSZERMWNJI-OAQYLSRUSA-N 0 0 370.456 4.181 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1cccs1 ZINC000225847820 571074097 /nfs/dbraw/zinc/07/40/97/571074097.db2.gz 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CCO[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C12CCOCC2 ZINC000302255916 571098704 /nfs/dbraw/zinc/09/87/04/571098704.db2.gz OIXWQXBOEXKRMF-QZTJIDSGSA-N 0 0 371.868 4.146 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(CC)cc2)nnc1-c1ccncc1 ZINC000003612315 571098979 /nfs/dbraw/zinc/09/89/79/571098979.db2.gz FRKLBMPDJZRKPD-UHFFFAOYSA-N 0 0 364.474 4.064 50 30 FIEARN C=CCSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 ZINC000005065496 571102804 /nfs/dbraw/zinc/10/28/04/571102804.db2.gz PXKFTWFDFUVUAX-UHFFFAOYSA-N 0 0 363.240 4.022 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 ZINC000007720094 571104663 /nfs/dbraw/zinc/10/46/63/571104663.db2.gz MNYDYKCBXDTPBO-UHFFFAOYSA-N 0 0 353.809 4.218 50 30 FIEARN Cc1cccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000012807361 571111184 /nfs/dbraw/zinc/11/11/84/571111184.db2.gz DFMJXBBBTOQPAB-UHFFFAOYSA-N 0 0 367.499 4.250 50 30 FIEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000014245512 571121206 /nfs/dbraw/zinc/12/12/06/571121206.db2.gz RRRBAIXMFSXXEX-AWEZNQCLSA-N 0 0 351.402 4.497 50 30 FIEARN C=CCn1c(S[C@H](C)C(C)=O)nc2scc(-c3ccccc3)c2c1=O ZINC000015276983 571121860 /nfs/dbraw/zinc/12/18/60/571121860.db2.gz QGMNSSREAMFPKI-CYBMUJFWSA-N 0 0 370.499 4.381 50 30 FIEARN C=CCN(C(=O)[C@@H]1Cc2ccccc2O1)c1nc(-c2ccccc2)cs1 ZINC000015608269 571122105 /nfs/dbraw/zinc/12/21/05/571122105.db2.gz VFGPFBHFNXJLDV-IBGZPJMESA-N 0 0 362.454 4.333 50 30 FIEARN C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000000843976 571123320 /nfs/dbraw/zinc/12/33/20/571123320.db2.gz MVZHVYPUBOKHKI-ZROIWOOFSA-N 0 0 355.415 4.056 50 30 FIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000001148501 571123597 /nfs/dbraw/zinc/12/35/97/571123597.db2.gz MYBCXKKNNUYQRW-UHFFFAOYSA-N 0 0 352.419 4.332 50 30 FIEARN N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000012831812 571127959 /nfs/dbraw/zinc/12/79/59/571127959.db2.gz BDKQTDZVMBOMGX-UHFFFAOYSA-N 0 0 351.793 4.438 50 30 FIEARN N#Cc1ccccc1-c1ccc(CSc2nc(N)c(C#N)cc2C#N)cc1 ZINC000012862913 571130361 /nfs/dbraw/zinc/13/03/61/571130361.db2.gz BUNHPIWGTIWJBK-UHFFFAOYSA-N 0 0 367.437 4.238 50 30 FIEARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000000947395 571134987 /nfs/dbraw/zinc/13/49/87/571134987.db2.gz VNXTWZACNNSGMF-GFCCVEGCSA-N 0 0 354.475 4.379 50 30 FIEARN C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]21C ZINC000253617061 571135521 /nfs/dbraw/zinc/13/55/21/571135521.db2.gz RSBPOYAJCVXJON-UZZLAKBBSA-N 0 0 374.521 4.009 50 30 FIEARN C=CCn1c(SCC(C)=O)nc2scc(-c3cccs3)c2c1=O ZINC000000952468 571140272 /nfs/dbraw/zinc/14/02/72/571140272.db2.gz ITPOPHLSBRMGON-UHFFFAOYSA-N 0 0 362.501 4.054 50 30 FIEARN C=CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1OC ZINC000018136350 571140462 /nfs/dbraw/zinc/14/04/62/571140462.db2.gz IIOIJDNOAKUQCN-UHFFFAOYSA-N 0 0 368.458 4.104 50 30 FIEARN N#C[C@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCCC4)c23)C1 ZINC000001069911 571145202 /nfs/dbraw/zinc/14/52/02/571145202.db2.gz ZURIBAMFMJIGCE-NRFANRHFSA-N 0 0 360.486 4.242 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000001079998 571145550 /nfs/dbraw/zinc/14/55/50/571145550.db2.gz SYAGWLMWYQBCBM-ICSRJNTNSA-N 0 0 353.393 4.057 50 30 FIEARN O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000096765368 571146687 /nfs/dbraw/zinc/14/66/87/571146687.db2.gz ZOQFOPNZJMETNM-ALCCZGGFSA-N 0 0 361.298 4.321 50 30 FIEARN CN(Cc1ccccc1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097951003 571153116 /nfs/dbraw/zinc/15/31/16/571153116.db2.gz HORLUGIJHMFCRP-UHFFFAOYSA-N 0 0 367.211 4.113 50 30 FIEARN Cc1ccc(CN2CCN(/N=C\c3c(O)ccc4ccccc43)CC2)cc1 ZINC000033089333 571155188 /nfs/dbraw/zinc/15/51/88/571155188.db2.gz NUQJUDXIJOFSQB-JLPGSUDCSA-N 0 0 359.473 4.006 50 30 FIEARN C=CCn1c(Sc2cc(Cl)nc(C)n2)nnc1-c1cccc(OC)c1 ZINC000152248667 571157953 /nfs/dbraw/zinc/15/79/53/571157953.db2.gz NVAUMUIVOIPJGX-UHFFFAOYSA-N 0 0 373.869 4.043 50 30 FIEARN CC(C)=NOC(=O)Nc1ccc(Br)cc1Br ZINC000075260007 571158503 /nfs/dbraw/zinc/15/85/03/571158503.db2.gz UFGBIQZCKGHYQA-UHFFFAOYSA-N 0 0 350.010 4.156 50 30 FIEARN O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])c1 ZINC000075271669 571159173 /nfs/dbraw/zinc/15/91/73/571159173.db2.gz CKOJGSGNWYHNKW-RXVVDRJESA-N 0 0 359.385 4.173 50 30 FIEARN N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccccc1Br ZINC000001217597 571171223 /nfs/dbraw/zinc/17/12/23/571171223.db2.gz AYFSADOTPDVLEU-SFHVURJKSA-N 0 0 355.235 4.104 50 30 FIEARN C=CCOc1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)cc1OC ZINC000078934833 571201765 /nfs/dbraw/zinc/20/17/65/571201765.db2.gz YIWUOLTZIHLINI-INIZCTEOSA-N 0 0 373.474 4.092 50 30 FIEARN CCCCCCCOc1cccc(CNCc2ccnc(N(C)C)n2)c1 ZINC000097971435 571205480 /nfs/dbraw/zinc/20/54/80/571205480.db2.gz ZALGHHWPIODQTJ-UHFFFAOYSA-N 0 0 356.514 4.182 50 30 FIEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2cc(C)cc(C)c2)o1 ZINC000006527776 571207271 /nfs/dbraw/zinc/20/72/71/571207271.db2.gz PNTPRLSJEJWVHZ-BQYQJAHWSA-N 0 0 350.418 4.413 50 30 FIEARN Cc1c(C(=O)/C=C\c2ccc(COc3ccc(Cl)cc3)o2)cnn1C ZINC000006527532 571207319 /nfs/dbraw/zinc/20/73/19/571207319.db2.gz ZZTHHKZXTIRQAQ-KTKRTIGZSA-N 0 0 356.809 4.450 50 30 FIEARN N#Cc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)c1 ZINC000232314166 571209490 /nfs/dbraw/zinc/20/94/90/571209490.db2.gz SHKKNWKZFKXUNC-UHFFFAOYSA-N 0 0 363.225 4.246 50 30 FIEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3ccoc3)cc2)CCCCC1 ZINC000033277451 571229047 /nfs/dbraw/zinc/22/90/47/571229047.db2.gz KURSNRHFRQSSSO-UHFFFAOYSA-N 0 0 352.434 4.036 50 30 FIEARN C=C(C)CN(CC)C(=O)c1ccc(-c2cccc(CNC(C)=O)c2)cc1 ZINC000426707515 571236079 /nfs/dbraw/zinc/23/60/79/571236079.db2.gz WGOZQOUPZOZPPZ-UHFFFAOYSA-N 0 0 350.462 4.028 50 30 FIEARN C=CCSc1nnc(NC(=O)Cc2coc3c2ccc(C)c3C)s1 ZINC000006809925 571247704 /nfs/dbraw/zinc/24/77/04/571247704.db2.gz WYKSDBSYKCCXRK-UHFFFAOYSA-N 0 0 359.476 4.360 50 30 FIEARN COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(OC)c1 ZINC000006922362 571254660 /nfs/dbraw/zinc/25/46/60/571254660.db2.gz OIMMDVBTYKUKFN-ZDLGFXPLSA-N 0 0 368.458 4.212 50 30 FIEARN C=CCNc1nnc(SCc2cc(Br)ccc2OC)s1 ZINC000007399435 571265010 /nfs/dbraw/zinc/26/50/10/571265010.db2.gz OUHLBZQLLKVRGP-UHFFFAOYSA-N 0 0 372.313 4.199 50 30 FIEARN N#Cc1ccnc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000170610438 571267469 /nfs/dbraw/zinc/26/74/69/571267469.db2.gz HROWDDYPXGEDNT-UHFFFAOYSA-N 0 0 362.003 4.214 50 30 FIEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1C=O ZINC000002874470 571275781 /nfs/dbraw/zinc/27/57/81/571275781.db2.gz QAPIDXTWEGVLCB-UHFFFAOYSA-N 0 0 361.235 4.448 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2F)C[C@H]1c1cccc(F)c1 ZINC000252505100 571281355 /nfs/dbraw/zinc/28/13/55/571281355.db2.gz VOKGLIQXLMCDQT-PXNSSMCTSA-N 0 0 356.368 4.284 50 30 FIEARN CCN1C(=O)/C(=C\c2cccc(OC)c2O)SC1=Nc1ccc(C)cc1 ZINC000252594844 571284344 /nfs/dbraw/zinc/28/43/44/571284344.db2.gz BVMMDNRTQZYBLQ-DBOKLQOQSA-N 0 0 368.458 4.333 50 30 FIEARN COC(=O)c1ccc(N=C2S/C(=C\c3ccccc3C)C(=O)N2C)cc1 ZINC000252604889 571284713 /nfs/dbraw/zinc/28/47/13/571284713.db2.gz GEVXUVVYIWXROW-VTPWGRHDSA-N 0 0 366.442 4.015 50 30 FIEARN O=C1Nc2ccccc2C1=NN=C1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000252612250 571285728 /nfs/dbraw/zinc/28/57/28/571285728.db2.gz IQUNJPOBQNAYTJ-UHFFFAOYSA-N 0 0 362.820 4.303 50 30 FIEARN COCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=Nc1ccccc1 ZINC000252620481 571287537 /nfs/dbraw/zinc/28/75/37/571287537.db2.gz MEWISUIRIIVOGL-FZECDQFNSA-N 0 0 356.422 4.076 50 30 FIEARN C=C(C)Cn1c(C(=O)N2CCCC2)cc2scc(Br)c21 ZINC000037543739 571287782 /nfs/dbraw/zinc/28/77/82/571287782.db2.gz GYFQLXQXRCMXDZ-UHFFFAOYSA-N 0 0 353.285 4.277 50 30 FIEARN COc1ccc(-c2cn(N=Cc3ccc(Cl)cc3Cl)c(N)n2)cc1 ZINC000252622903 571288522 /nfs/dbraw/zinc/28/85/22/571288522.db2.gz OFIJFKZYMLLLBH-UHFFFAOYSA-N 0 0 361.232 4.330 50 30 FIEARN C=CCn1c(SCC(=O)c2cc(C)sc2C)nnc1-c1ccncc1 ZINC000007825854 571289966 /nfs/dbraw/zinc/28/99/66/571289966.db2.gz QIBNMOKYAZQQCK-UHFFFAOYSA-N 0 0 370.503 4.179 50 30 FIEARN C=CCNC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000007822080 571289979 /nfs/dbraw/zinc/28/99/79/571289979.db2.gz FCGMSLMIYDMLDT-ZDUSSCGKSA-N 0 0 369.515 4.450 50 30 FIEARN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1ccccc1 ZINC000252643299 571292166 /nfs/dbraw/zinc/29/21/66/571292166.db2.gz ZTXLBTHMSAPYCW-ORZNGPHRSA-N 0 0 368.458 4.328 50 30 FIEARN CCOc1ccccc1Oc1c(C)oc2cc(OCC#N)ccc2c1=O ZINC000002329102 571318109 /nfs/dbraw/zinc/31/81/09/571318109.db2.gz ZCMVVIJYFYAGRT-UHFFFAOYSA-N 0 0 351.358 4.195 50 30 biogenic FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCCCC3)c2O/C1=C\c1cccs1 ZINC000002324028 571318132 /nfs/dbraw/zinc/31/81/32/571318132.db2.gz RAMRVNMFLOGQHF-PDGQHHTCSA-N 0 0 355.459 4.446 50 30 FIEARN CC(C)c1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1 ZINC000000637597 571319115 /nfs/dbraw/zinc/31/91/15/571319115.db2.gz BXCNAOMDTAZIDQ-UHFFFAOYSA-N 0 0 355.401 4.130 50 30 FIEARN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3ccccc3C#N)CC2)c1 ZINC000077407566 571320962 /nfs/dbraw/zinc/32/09/62/571320962.db2.gz KLBDFCWVTPSUFA-UHFFFAOYSA-N 0 0 370.456 4.277 50 30 FIEARN CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426395404 571322011 /nfs/dbraw/zinc/32/20/11/571322011.db2.gz PNDVYVQDIFTBJA-FQEVSTJZSA-N 0 0 366.436 4.396 50 30 FIEARN N#Cc1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000082107614 571322742 /nfs/dbraw/zinc/32/27/42/571322742.db2.gz BSLDTSVIDBWADY-UHFFFAOYSA-N 0 0 374.362 4.261 50 30 FIEARN N#Cc1ccc(C(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000013357383 571323250 /nfs/dbraw/zinc/32/32/50/571323250.db2.gz BGFVZVBMDAFTMJ-UHFFFAOYSA-N 0 0 360.392 4.098 50 30 FIEARN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1sccc1OC(F)F ZINC000328592094 571323597 /nfs/dbraw/zinc/32/35/97/571323597.db2.gz ZYVOLJCJBYPYHY-HAQNSBGRSA-N 0 0 367.421 4.472 50 30 FIEARN C[C@](NC(=O)c1cccc([N+](=O)[O-])c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000328592904 571323643 /nfs/dbraw/zinc/32/36/43/571323643.db2.gz MXHNIHLIBSXBNY-MRXNPFEDSA-N 0 0 365.748 4.143 50 30 FIEARN Cc1c2c(cc3c1OCN(C1CC1)C3)C(=O)/C(=C/c1ccccc1F)O2 ZINC000094156262 571327664 /nfs/dbraw/zinc/32/76/64/571327664.db2.gz TYOYZLIZFRMXTJ-NVMNQCDNSA-N 0 0 351.377 4.065 50 30 FIEARN CCn1c(SCc2ccc(C#N)cc2OC)nnc1-c1ccc(F)cc1 ZINC000155283186 571327808 /nfs/dbraw/zinc/32/78/08/571327808.db2.gz FPCRUIGZRDQDLB-UHFFFAOYSA-N 0 0 368.437 4.277 50 30 FIEARN CCN1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 ZINC000020115479 571328003 /nfs/dbraw/zinc/32/80/03/571328003.db2.gz VQUWAROOHKASSD-IWGRKNQJSA-N 0 0 363.457 4.075 50 30 FIEARN N#Cc1c(N)nc(-c2cccnc2)cc1-c1ccc(Br)cc1 ZINC000020289507 571328755 /nfs/dbraw/zinc/32/87/55/571328755.db2.gz IHXZLFVZXDEAEP-UHFFFAOYSA-N 0 0 351.207 4.027 50 30 FIEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)CC1 ZINC000020503417 571330095 /nfs/dbraw/zinc/33/00/95/571330095.db2.gz BBWNCFVWFPIWFP-WQRHYEAKSA-N 0 0 355.459 4.302 50 30 biogenic FIEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020517682 571330479 /nfs/dbraw/zinc/33/04/79/571330479.db2.gz APJIGOSLGVEYBG-KEHVOCCWSA-N 0 0 353.418 4.079 50 30 biogenic FIEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000096336836 571335483 /nfs/dbraw/zinc/33/54/83/571335483.db2.gz SZBMQPGGLYNAAF-FQEVSTJZSA-N 0 0 367.489 4.490 50 30 FIEARN N#Cc1nc(-c2ccco2)oc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027992927 571337401 /nfs/dbraw/zinc/33/74/01/571337401.db2.gz ALBLHKSQFITJBT-CQSZACIVSA-N 0 0 354.435 4.117 50 30 FIEARN O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1ccccc1F ZINC000029934231 571344465 /nfs/dbraw/zinc/34/44/65/571344465.db2.gz HGOFKVMAZDMUOA-UHFFFAOYSA-N 0 0 364.445 4.015 50 30 FIEARN CC1(C)CCCc2sc(NC(=O)N[C@H]3CCCc4[nH]c(=O)ccc43)nc21 ZINC000329518527 1091004487 /nfs/dbraw/zinc/00/44/87/1091004487.db2.gz NOGWSGOHMQBKTM-ZDUSSCGKSA-N 0 0 372.494 4.261 50 30 FIEARN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccnc(N3CCCCC3)c1)O2 ZINC000330035388 1091143381 /nfs/dbraw/zinc/14/33/81/1091143381.db2.gz XIEMHHAKONQZJF-HXUWFJFHSA-N 0 0 365.477 4.231 50 30 FIEARN C[C@@H]1CCN(c2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)ccn2)C1 ZINC000331794853 1091389957 /nfs/dbraw/zinc/38/99/57/1091389957.db2.gz VXXUJZCFRLRGEU-CYBMUJFWSA-N 0 0 368.506 4.411 50 30 FIEARN Cc1oc(C#N)cc1C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000332441173 1091743614 /nfs/dbraw/zinc/74/36/14/1091743614.db2.gz LGBZPALDFZBGMQ-UHFFFAOYSA-N 0 0 373.250 4.242 50 30 FIEARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1OC ZINC000000852486 1091901193 /nfs/dbraw/zinc/90/11/93/1091901193.db2.gz WYILAFQIQSQDHA-KRWDZBQOSA-N 0 0 368.820 4.377 50 30 FIEARN COc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1OC(F)F ZINC000029217644 1093819651 /nfs/dbraw/zinc/81/96/51/1093819651.db2.gz HPASXZKJDAUSBG-XYOKQWHBSA-N 0 0 364.319 4.485 50 30 FIEARN CCCCNC(=S)NN=Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000263630161 1103143263 /nfs/dbraw/zinc/14/32/63/1103143263.db2.gz JYSUFKLJJVXMSL-UHFFFAOYSA-N 0 0 368.550 4.311 50 30 FIEARN O=C(/C=C/c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000089769759 1106781656 /nfs/dbraw/zinc/78/16/56/1106781656.db2.gz SODRJSSRNNTLOC-LZCJLJQNSA-N 0 0 363.791 4.351 50 30 FIEARN O=C(/C=C\c1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000033474175 1122561729 /nfs/dbraw/zinc/56/17/29/1122561729.db2.gz XXKRUTKXFPKTMJ-YWEYNIOJSA-N 0 0 350.143 4.393 50 30 FIEARN CCNC(=S)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000001185575 219386658 /nfs/dbraw/zinc/38/66/58/219386658.db2.gz MATOWCFMWZWUMM-SSDVNMTOSA-N 0 0 370.909 4.161 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2CCC[C@H]2CCOC2)cn1 ZINC000065370495 203823991 /nfs/dbraw/zinc/82/39/91/203823991.db2.gz ICKRSXUZAZICQG-SFHVURJKSA-N 0 0 362.477 4.416 50 30 FIEARN C=CCNC(=S)Nc1ccc(OCc2nc3ccccc3s2)cc1 ZINC000004661557 203829129 /nfs/dbraw/zinc/82/91/29/203829129.db2.gz IAMDKEVNVYFBAQ-UHFFFAOYSA-N 0 0 355.488 4.348 50 30 FIEARN C=C(C)COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000009231833 203851310 /nfs/dbraw/zinc/85/13/10/203851310.db2.gz OKQPTWBIXVCGFE-UHFFFAOYSA-N 0 0 352.434 4.488 50 30 FIEARN C=CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2C)n1 ZINC000009573517 203851726 /nfs/dbraw/zinc/85/17/26/203851726.db2.gz HLIRCQGDOXEBJH-UHFFFAOYSA-N 0 0 356.433 4.465 50 30 FIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1O ZINC000001118947 203859627 /nfs/dbraw/zinc/85/96/27/203859627.db2.gz KWRLRPAFPLZYKM-UHFFFAOYSA-N 0 0 368.418 4.037 50 30 FIEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 ZINC000002453035 203861686 /nfs/dbraw/zinc/86/16/86/203861686.db2.gz DOKQTMQIEGRMPU-UHFFFAOYSA-N 0 0 362.458 4.304 50 30 FIEARN COc1cc(/C=C(\C(=O)C(F)(F)F)c2ncccc2C)cc(OC)c1 ZINC000096035428 203927339 /nfs/dbraw/zinc/92/73/39/203927339.db2.gz NDXJVOGRYVOLDQ-DHDCSXOGSA-N 0 0 351.324 4.079 50 30 FIEARN N#Cc1nn(-c2ccc(Cl)cc2)c(=O)cc1Nc1ccc(Cl)cc1 ZINC000001385312 204003083 /nfs/dbraw/zinc/00/30/83/204003083.db2.gz YCBNPXLOCROFCZ-UHFFFAOYSA-N 0 0 357.200 4.155 50 30 FIEARN Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000001430116 204007044 /nfs/dbraw/zinc/00/70/44/204007044.db2.gz HZHVIKCXPYCTJH-VQTJNVASSA-N 0 0 374.484 4.188 50 30 FIEARN Cc1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2nccs2)n1 ZINC000001439975 204007348 /nfs/dbraw/zinc/00/73/48/204007348.db2.gz FQCUYMHHUMARHL-UHFFFAOYSA-N 0 0 366.471 4.116 50 30 FIEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(C)(=O)=O ZINC000001442687 204007771 /nfs/dbraw/zinc/00/77/71/204007771.db2.gz INLGRHHWGYWXGT-AWEZNQCLSA-N 0 0 369.273 4.329 50 30 FIEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1ccco1 ZINC000001874639 204020941 /nfs/dbraw/zinc/02/09/41/204020941.db2.gz ONYKTSSRDMMYBX-ODLFYWEKSA-N 0 0 363.325 4.383 50 30 FIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000002069359 204024615 /nfs/dbraw/zinc/02/46/15/204024615.db2.gz KTBFGJQJKHXOEK-SFHVURJKSA-N 0 0 357.837 4.037 50 30 FIEARN N#Cc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000002162679 204027532 /nfs/dbraw/zinc/02/75/32/204027532.db2.gz POMVXMJASACHTI-UHFFFAOYSA-N 0 0 353.212 4.186 50 30 FIEARN CCCCOc1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 ZINC000002290040 204032361 /nfs/dbraw/zinc/03/23/61/204032361.db2.gz UGNPKIIXYSCXMT-UHFFFAOYSA-N 0 0 357.417 4.206 50 30 FIEARN CCOC(=O)c1sc(=S)n(CC)c1NC(=O)c1ccccc1C ZINC000002313819 204034655 /nfs/dbraw/zinc/03/46/55/204034655.db2.gz JBSGFAANBSLJTQ-UHFFFAOYSA-N 0 0 350.465 4.420 50 30 FIEARN O=C1CS/C(=N\N=C\c2ccccc2)N1Cc1cccc2ccccc21 ZINC000002352111 204035393 /nfs/dbraw/zinc/03/53/93/204035393.db2.gz NDKRJUVLNMSXON-ISURTVLTSA-N 0 0 359.454 4.305 50 30 FIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(CC)c2)cc1 ZINC000003049974 204075268 /nfs/dbraw/zinc/07/52/68/204075268.db2.gz NBFHMRHGWSVMAR-RCCKNPSSSA-N 0 0 354.523 4.416 50 30 FIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)cc1 ZINC000003051078 204075280 /nfs/dbraw/zinc/07/52/80/204075280.db2.gz AITAJJXUGCXAFL-KGENOOAVSA-N 0 0 354.523 4.470 50 30 FIEARN N#CC(Br)(C#N)[C@H](CC(=O)c1cccs1)c1ccccc1 ZINC000003073450 204077363 /nfs/dbraw/zinc/07/73/63/204077363.db2.gz TWTFKNZRBWPTSS-CYBMUJFWSA-N 0 0 359.248 4.286 50 30 FIEARN COc1ccc(NC=CC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000003084060 204077730 /nfs/dbraw/zinc/07/77/30/204077730.db2.gz VQJUPFXLAWLQES-MDZDMXLPSA-N 0 0 362.223 4.275 50 30 FIEARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(O)cc2)cc1 ZINC000003112555 204078716 /nfs/dbraw/zinc/07/87/16/204078716.db2.gz STQMZXKRKHHOOQ-KGENOOAVSA-N 0 0 367.426 4.219 50 30 FIEARN N#Cc1c2c(sc1NC(=O)CO/N=C/c1ccccc1Cl)CCCC2 ZINC000003167669 204080442 /nfs/dbraw/zinc/08/04/42/204080442.db2.gz ZNSSYKHZMBGPPW-UFFVCSGVSA-N 0 0 373.865 4.141 50 30 FIEARN Cc1ccc2cccc(OCC(=O)Nc3ccc(C#N)c(Cl)c3)c2n1 ZINC000003340608 204092278 /nfs/dbraw/zinc/09/22/78/204092278.db2.gz NWRWVYVOAOIEOU-UHFFFAOYSA-N 0 0 351.793 4.086 50 30 FIEARN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000003278782 204086727 /nfs/dbraw/zinc/08/67/27/204086727.db2.gz ZJXJAANYWDLJCX-UHFFFAOYSA-N 0 0 355.393 4.455 50 30 FIEARN O=C(Nc1cccc(C(F)(F)F)c1)O/N=C/c1ccc2c(c1)OCO2 ZINC000002544937 204044329 /nfs/dbraw/zinc/04/43/29/204044329.db2.gz FEVYHBSOTRXUOY-DNTJNYDQSA-N 0 0 352.268 4.017 50 30 FIEARN N#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000002736378 204053866 /nfs/dbraw/zinc/05/38/66/204053866.db2.gz YPEILDBDPNKOFJ-UHFFFAOYSA-N 0 0 367.499 4.001 50 30 FIEARN CCOc1cc(C#N)c(Br)c(Br)c1OC(C)C ZINC000002764013 204056040 /nfs/dbraw/zinc/05/60/40/204056040.db2.gz ZQLQIAKLARCXRM-UHFFFAOYSA-N 0 0 363.049 4.269 50 30 FIEARN COc1cc(/C=N/O)c(Br)cc1OCc1ccccc1Cl ZINC000002763589 204056392 /nfs/dbraw/zinc/05/63/92/204056392.db2.gz JOWOPESHAKPWCC-QGMBQPNBSA-N 0 0 370.630 4.498 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000002801316 204059577 /nfs/dbraw/zinc/05/95/77/204059577.db2.gz KUKLHSJZZPQRCM-HXUWFJFHSA-N 0 0 369.461 4.006 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000003883271 204112400 /nfs/dbraw/zinc/11/24/00/204112400.db2.gz AEZUZXYVWGQRLK-TZIWHRDSSA-N 0 0 350.414 4.015 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1 ZINC000003883269 204112710 /nfs/dbraw/zinc/11/27/10/204112710.db2.gz AEZUZXYVWGQRLK-PZJWPPBQSA-N 0 0 350.414 4.015 50 30 FIEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccco2)c1 ZINC000004184802 204126305 /nfs/dbraw/zinc/12/63/05/204126305.db2.gz YORQMNILJHRWHH-VQHVLOKHSA-N 0 0 354.383 4.465 50 30 FIEARN CN(Cc1cccs1)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003403987 204097243 /nfs/dbraw/zinc/09/72/43/204097243.db2.gz RDFDLEFMTWVFNF-UHFFFAOYSA-N 0 0 362.454 4.324 50 30 FIEARN C=CCSC1=N/C(=C\c2cc(OC)c(OC)cc2Cl)C(=O)S1 ZINC000003461254 204102601 /nfs/dbraw/zinc/10/26/01/204102601.db2.gz GEHDAYFDKLHPSH-WDZFZDKYSA-N 0 0 355.868 4.247 50 30 FIEARN CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3C#N)n2N)cc1 ZINC000003529239 204104364 /nfs/dbraw/zinc/10/43/64/204104364.db2.gz QIBSPVTYDYNNMB-UHFFFAOYSA-N 0 0 363.490 4.120 50 30 FIEARN O=C1/C(=C/c2ccc3c(c2)OCO3)CCC/C1=C\c1ccc2c(c1)OCO2 ZINC000004579161 204148155 /nfs/dbraw/zinc/14/81/55/204148155.db2.gz FSKXKUGPSKOGHB-GONBZBRSSA-N 0 0 362.381 4.364 50 30 FIEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C)c(O)cc1C(C)C ZINC000004619108 204150906 /nfs/dbraw/zinc/15/09/06/204150906.db2.gz UTAKFSFKZWASAL-UHFFFAOYSA-N 0 0 360.479 4.352 50 30 FIEARN CC(=O)Nc1ccc(/C=C2\CC/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000004614459 204151026 /nfs/dbraw/zinc/15/10/26/204151026.db2.gz DJGZTKZVTWOSRP-IWGRKNQJSA-N 0 0 374.440 4.433 50 30 FIEARN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000004631230 204151913 /nfs/dbraw/zinc/15/19/13/204151913.db2.gz SUFVQPBLRKGLJS-HOOMGSECSA-N 0 0 351.475 4.377 50 30 FIEARN COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(OC)c1 ZINC000004696373 204155544 /nfs/dbraw/zinc/15/55/44/204155544.db2.gz IRPCFFVBFANCMA-ZDLGFXPLSA-N 0 0 368.458 4.212 50 30 FIEARN CN1c2ccccc2[C@@]2(Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1=O ZINC000004414091 204138806 /nfs/dbraw/zinc/13/88/06/204138806.db2.gz WWZDXIARHJVMRX-QHCPKHFHSA-N 0 0 373.456 4.039 50 30 FIEARN CCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000004436170 204139090 /nfs/dbraw/zinc/13/90/90/204139090.db2.gz IWQBNYVGBHCUCQ-HNNXBMFYSA-N 0 0 360.870 4.066 50 30 FIEARN COc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000004545286 204145352 /nfs/dbraw/zinc/14/53/52/204145352.db2.gz NCWQCGXZFZMPRP-UHFFFAOYSA-N 0 0 358.821 4.477 50 30 FIEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 ZINC000005517421 204212909 /nfs/dbraw/zinc/21/29/09/204212909.db2.gz MLLSZMXLQMTNJP-INIZCTEOSA-N 0 0 360.335 4.216 50 30 FIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 ZINC000005528129 204213789 /nfs/dbraw/zinc/21/37/89/204213789.db2.gz BNNCOMGNGCQMFM-LLVKDONJSA-N 0 0 356.447 4.014 50 30 FIEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1O ZINC000005551267 204214167 /nfs/dbraw/zinc/21/41/67/204214167.db2.gz UCWSTALIFCXNIV-WQRHYEAKSA-N 0 0 368.458 4.299 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000005593826 204217334 /nfs/dbraw/zinc/21/73/34/204217334.db2.gz FVRYMKDHGYPBNP-LJQANCHMSA-N 0 0 374.371 4.004 50 30 FIEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(O)cc3)on1)CCCC2 ZINC000004880677 204171789 /nfs/dbraw/zinc/17/17/89/204171789.db2.gz VOEPOFSHMPPYHO-UHFFFAOYSA-N 0 0 365.414 4.111 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1OC ZINC000004918755 204175309 /nfs/dbraw/zinc/17/53/09/204175309.db2.gz JRIWEFZFRLJMDT-DNVCBOLYSA-N 0 0 356.443 4.076 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1C ZINC000004918286 204175967 /nfs/dbraw/zinc/17/59/67/204175967.db2.gz SHSVYLNCWQMSEY-UNMCSNQZSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1C ZINC000004919246 204176858 /nfs/dbraw/zinc/17/68/58/204176858.db2.gz VICFHKBVNXWMKS-RBBKRZOGSA-N 0 0 364.441 4.323 50 30 FIEARN Cc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000004981792 204182437 /nfs/dbraw/zinc/18/24/37/204182437.db2.gz HCIAOUZUMPOVPN-CMDGGOBGSA-N 0 0 361.195 4.474 50 30 FIEARN O=C1C[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004986799 204183298 /nfs/dbraw/zinc/18/32/98/204183298.db2.gz LVBPMQKJMOFEGK-JSGCOSHPSA-N 0 0 357.862 4.406 50 30 FIEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000005642563 204219281 /nfs/dbraw/zinc/21/92/81/204219281.db2.gz PIOLGKKTOWKSHX-NSHDSACASA-N 0 0 363.845 4.482 50 30 FIEARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n(CC(C)C)c1C ZINC000005152065 204194270 /nfs/dbraw/zinc/19/42/70/204194270.db2.gz YYXLWSWWWKPPRH-HNNXBMFYSA-N 0 0 356.495 4.147 50 30 FIEARN N#Cc1ccccc1COc1ccc(/C=C/[N+](=O)[O-])cc1Br ZINC000006222397 204240858 /nfs/dbraw/zinc/24/08/58/204240858.db2.gz AQRUMHMMQYZRFM-BQYQJAHWSA-N 0 0 359.179 4.147 50 30 FIEARN COc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1 ZINC000006580655 204254354 /nfs/dbraw/zinc/25/43/54/204254354.db2.gz BEQQURGFBLWWAT-SRZZPIQSSA-N 0 0 364.357 4.020 50 30 FIEARN COc1ccc(/C=C/C(=O)c2ccn(C)n2)cc1COc1ccc(F)cc1 ZINC000006925537 204281868 /nfs/dbraw/zinc/28/18/68/204281868.db2.gz VIUXWJANVQHRKD-YCRREMRBSA-N 0 0 366.392 4.043 50 30 FIEARN N#C[C@H]1C(=O)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 ZINC000006927881 204282169 /nfs/dbraw/zinc/28/21/69/204282169.db2.gz BIPQNHCVEWTGLL-HOCLYGCPSA-N 0 0 364.474 4.091 50 30 FIEARN CCOC(=O)[C@@H](CC)Sc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000007134847 204290777 /nfs/dbraw/zinc/29/07/77/204290777.db2.gz 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/nfs/dbraw/zinc/26/76/50/571267650.db2.gz HSQOTHZCJBRKNY-KRWDZBQOSA-N 0 0 373.374 4.082 50 30 FIEARN Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1ccc(Cl)cc1 ZINC000013564448 571271181 /nfs/dbraw/zinc/27/11/81/571271181.db2.gz VVTOLQORACCKGK-MQIUFUGCSA-N 0 0 357.866 4.114 50 30 FIEARN CN(C)c1ccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000014354296 571271990 /nfs/dbraw/zinc/27/19/90/571271990.db2.gz DAIHDAZNVGKCTE-UHFFFAOYSA-N 0 0 371.440 4.141 50 30 FIEARN C=CCn1c(SCC(=O)c2cccn2C)nnc1-c1cccc(Cl)c1 ZINC000122540261 571275186 /nfs/dbraw/zinc/27/51/86/571275186.db2.gz SDEKSRUNLKWNMV-UHFFFAOYSA-N 0 0 372.881 4.098 50 30 FIEARN COc1cc(C=NN2CC(c3ccccc3)=NC2=S)cc(Cl)c1O ZINC000252452393 571278782 /nfs/dbraw/zinc/27/87/82/571278782.db2.gz GLTVMUHXGMJFND-UHFFFAOYSA-N 0 0 359.838 4.089 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(C)c1 ZINC000252488841 571280595 /nfs/dbraw/zinc/28/05/95/571280595.db2.gz JAFFBASWDNJIAJ-SIKLNZKXSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2C)C[C@H]1c1cccc(OC)c1 ZINC000252490139 571280676 /nfs/dbraw/zinc/28/06/76/571280676.db2.gz KJZJYJQMNNCEKP-RBBKRZOGSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2F)C[C@@H]1c1cccc(F)c1 ZINC000252505101 571281389 /nfs/dbraw/zinc/28/13/89/571281389.db2.gz VOKGLIQXLMCDQT-XLIONFOSSA-N 0 0 356.368 4.284 50 30 FIEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)c1O ZINC000252608994 571285073 /nfs/dbraw/zinc/28/50/73/571285073.db2.gz HOWMOEFKOQVMGO-UQZIKHPZSA-N 0 0 368.458 4.251 50 30 FIEARN CC(=O)Nc1cc(N=Cc2ccc3c(c2)OCO3)c(Cl)cc1Cl ZINC000252613927 571285874 /nfs/dbraw/zinc/28/58/74/571285874.db2.gz JEVVGWUNNBBTME-UHFFFAOYSA-N 0 0 351.189 4.431 50 30 FIEARN CC(N=Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccc(N)cc1 ZINC000252617208 571286125 /nfs/dbraw/zinc/28/61/25/571286125.db2.gz KOOGKOFUXJZNSW-UHFFFAOYSA-N 0 0 354.628 4.332 50 30 FIEARN O=C1C=CC(=NNc2cc(C(F)(F)F)ccc2Cl)c2cccnc21 ZINC000252617193 571286157 /nfs/dbraw/zinc/28/61/57/571286157.db2.gz KOFFEDZMZSABKF-UHFFFAOYSA-N 0 0 351.715 4.323 50 30 FIEARN CCCN1C(=O)/C(=C/c2ccccc2O)SC1=Nc1ccc(OC)cc1 ZINC000252625711 571288875 /nfs/dbraw/zinc/28/88/75/571288875.db2.gz QPXUKIYVZSPLST-JEFZPDFESA-N 0 0 368.458 4.415 50 30 FIEARN CCN1C(=O)/C(=C\c2cc(C)n(C)c2C)SC1=Nc1ccc(OC)cc1 ZINC000252631208 571289845 /nfs/dbraw/zinc/28/98/45/571289845.db2.gz VJPWEKULSIRIJI-JEESXGFFSA-N 0 0 369.490 4.274 50 30 FIEARN COc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000252636950 571291446 /nfs/dbraw/zinc/29/14/46/571291446.db2.gz XOFNEIDZUISPHY-MSWOZKQMSA-N 0 0 374.849 4.288 50 30 FIEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000077300883 571321001 /nfs/dbraw/zinc/32/10/01/571321001.db2.gz LLNJDPNPZQDIQM-GOSISDBHSA-N 0 0 374.419 4.107 50 30 FIEARN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000078899979 571321499 /nfs/dbraw/zinc/32/14/99/571321499.db2.gz JODILOJRBAERPD-UHFFFAOYSA-N 0 0 369.490 4.060 50 30 FIEARN N#Cc1cc(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)ccc1F ZINC000426370427 571322033 /nfs/dbraw/zinc/32/20/33/571322033.db2.gz KCDANCUZBCLNPN-UHFFFAOYSA-N 0 0 366.436 4.132 50 30 FIEARN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccccc2C#N)cc1 ZINC000426547737 571322142 /nfs/dbraw/zinc/32/21/42/571322142.db2.gz ZEUQSJVDDFRALN-UHFFFAOYSA-N 0 0 372.472 4.257 50 30 FIEARN N#Cc1ccc(-c2ccc(C(=O)NCCSC3CCCCC3)cc2)cn1 ZINC000426661971 571322208 /nfs/dbraw/zinc/32/22/08/571322208.db2.gz GQVXRZVIBIXCFN-UHFFFAOYSA-N 0 0 365.502 4.416 50 30 FIEARN N#Cc1ccccc1-c1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 ZINC000012863739 571322799 /nfs/dbraw/zinc/32/27/99/571322799.db2.gz ATDKWSPCMZNPAB-UHFFFAOYSA-N 0 0 371.371 4.229 50 30 FIEARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012993928 571322888 /nfs/dbraw/zinc/32/28/88/571322888.db2.gz LXPSMKJNHVSPHR-LBPRGKRZSA-N 0 0 357.454 4.467 50 30 FIEARN N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012975572 571322936 /nfs/dbraw/zinc/32/29/36/571322936.db2.gz UXSULWAEASYFAS-JOCHJYFZSA-N 0 0 373.481 4.206 50 30 FIEARN CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 ZINC000019852174 571327367 /nfs/dbraw/zinc/32/73/67/571327367.db2.gz CFESOOPENHTZDM-SNVBAGLBSA-N 0 0 365.462 4.098 50 30 FIEARN CCN(Cc1ccc(C#N)cc1F)c1nc2cc(C)nn2c2ccccc21 ZINC000095356630 571328934 /nfs/dbraw/zinc/32/89/34/571328934.db2.gz RFJTUGVGEWFZNF-UHFFFAOYSA-N 0 0 359.408 4.228 50 30 FIEARN Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1-n1cncn1 ZINC000095440935 571329701 /nfs/dbraw/zinc/32/97/01/571329701.db2.gz LWNIYXJKSSBVLT-UHFFFAOYSA-N 0 0 365.462 4.059 50 30 FIEARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1SCCC#N ZINC000095953530 571332828 /nfs/dbraw/zinc/33/28/28/571332828.db2.gz RBYZTFYPBXJBCH-UHFFFAOYSA-N 0 0 368.458 4.085 50 30 FIEARN CC(=O)N(C)c1nc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cs1 ZINC000096310726 571335229 /nfs/dbraw/zinc/33/52/29/571335229.db2.gz QAESWCQRGZNANP-PLNGDYQASA-N 0 0 360.822 4.422 50 30 FIEARN Cn1c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2nc1C(C)(C)C ZINC000333613479 571335718 /nfs/dbraw/zinc/33/57/18/571335718.db2.gz 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FIEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)cc1OC ZINC000001185892 219386533 /nfs/dbraw/zinc/38/65/33/219386533.db2.gz LTWDDBQRJXGAIU-UHFFFAOYSA-N 0 0 355.397 4.363 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1ccccc1 ZINC000007595805 219810243 /nfs/dbraw/zinc/81/02/43/219810243.db2.gz APJAMRSHTAGAKM-CMDGGOBGSA-N 0 0 372.218 4.338 50 30 FIEARN C=CCN(C(=O)[C@@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000134357093 203806394 /nfs/dbraw/zinc/80/63/94/203806394.db2.gz ZULRYGDMLLDSGD-RHSMWYFYSA-N 0 0 354.475 4.334 50 30 FIEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000065331428 203823452 /nfs/dbraw/zinc/82/34/52/203823452.db2.gz IFMVMHPYVXEQIB-SFHVURJKSA-N 0 0 363.392 4.050 50 30 FIEARN C=CCn1c(SCCOCC)nc2scc(-c3ccccc3)c2c1=O ZINC000007059415 203830544 /nfs/dbraw/zinc/83/05/44/203830544.db2.gz HTNJORLJOHEHLW-UHFFFAOYSA-N 0 0 372.515 4.440 50 30 FIEARN C=CCOc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000009901250 203852119 /nfs/dbraw/zinc/85/21/19/203852119.db2.gz WZHWTUYVALLYHL-FMIVXFBMSA-N 0 0 358.441 4.331 50 30 FIEARN C=CCNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(OC)cc1 ZINC000011241219 203852563 /nfs/dbraw/zinc/85/25/63/203852563.db2.gz RXSBZIRJQIBJCA-UHFFFAOYSA-N 0 0 352.409 4.217 50 30 FIEARN C#CCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002181967 203860869 /nfs/dbraw/zinc/86/08/69/203860869.db2.gz FJUPFBPIDKVUTN-UHFFFAOYSA-N 0 0 364.514 4.414 50 30 biogenic FIEARN C=CCn1cnn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S ZINC000023855680 203866906 /nfs/dbraw/zinc/86/69/06/203866906.db2.gz MOJBMANFKOTBOI-MRXNPFEDSA-N 0 0 374.560 4.328 50 30 FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1ccccc1Cl ZINC000004339733 203920113 /nfs/dbraw/zinc/92/01/13/203920113.db2.gz XHKNFHXUEYICEN-WQRHYEAKSA-N 0 0 355.821 4.258 50 30 FIEARN N#Cc1c(SCC(=O)Nc2ccccc2)ncc2cc3ccccc3nc21 ZINC000001112543 203984113 /nfs/dbraw/zinc/98/41/13/203984113.db2.gz JDWIUIBKOKGHFA-UHFFFAOYSA-N 0 0 370.437 4.385 50 30 FIEARN C=CCn1c(N)c(C(=O)OCCCCCCC)c2nc3ccccc3nc21 ZINC000002376391 204036723 /nfs/dbraw/zinc/03/67/23/204036723.db2.gz WAXQPCMHNAKJEY-UHFFFAOYSA-N 0 0 366.465 4.480 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(Cl)cc1 ZINC000002481142 204041243 /nfs/dbraw/zinc/04/12/43/204041243.db2.gz WNGDLXKCBFUISA-QGZVFWFLSA-N 0 0 374.893 4.359 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1 ZINC000002492322 204041769 /nfs/dbraw/zinc/04/17/69/204041769.db2.gz SGTDBFFXSJLHLY-OAQYLSRUSA-N 0 0 363.457 4.384 50 30 FIEARN N#Cc1c(=O)n(Cc2cccc(C(F)(F)F)c2)ccc1-c1ccccc1 ZINC000001401907 204004070 /nfs/dbraw/zinc/00/40/70/204004070.db2.gz XTTYYOXWLNEMFN-UHFFFAOYSA-N 0 0 354.331 4.454 50 30 FIEARN COc1ccc(CO/N=C2/c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000001403312 204004759 /nfs/dbraw/zinc/00/47/59/204004759.db2.gz PLDDIFNRAORFEP-LNVKXUELSA-N 0 0 358.397 4.294 50 30 FIEARN CN(C)N1C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C2=C1CC(C)(C)CC2=O ZINC000001429998 204006586 /nfs/dbraw/zinc/00/65/86/204006586.db2.gz FPBPENHSQKDPRT-QGZVFWFLSA-N 0 0 368.521 4.420 50 30 FIEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccccc3)nc12 ZINC000001469987 204009376 /nfs/dbraw/zinc/00/93/76/204009376.db2.gz LNLUODVEBDXCRA-HZHRSRAPSA-N 0 0 354.413 4.497 50 30 FIEARN COc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 ZINC000002235361 204029896 /nfs/dbraw/zinc/02/98/96/204029896.db2.gz OQXZJWNIGIJLKB-UHFFFAOYSA-N 0 0 369.808 4.399 50 30 FIEARN CCCc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3 ZINC000002279884 204031336 /nfs/dbraw/zinc/03/13/36/204031336.db2.gz WPLYVCWZUYDZNN-WSDLNYQXSA-N 0 0 369.465 4.311 50 30 FIEARN CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002318664 204034157 /nfs/dbraw/zinc/03/41/57/204034157.db2.gz XBKHCMRDLYHWMG-VGCKYNLESA-N 0 0 355.463 4.304 50 30 FIEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCCCC2 ZINC000002316366 204034607 /nfs/dbraw/zinc/03/46/07/204034607.db2.gz VSXGWANRHZIZEE-UHFFFAOYSA-N 0 0 369.515 4.406 50 30 FIEARN N#CC(Br)(C#N)[C@@H](CC(=O)c1cccs1)c1ccccc1 ZINC000003073451 204076887 /nfs/dbraw/zinc/07/68/87/204076887.db2.gz TWTFKNZRBWPTSS-ZDUSSCGKSA-N 0 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355.225 4.022 50 30 FIEARN O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)NCc1ccccc1 ZINC000005946989 526946886 /nfs/dbraw/zinc/94/68/86/526946886.db2.gz HOZZBKKYAXTLLB-ZVHZXABRSA-N 0 0 362.404 4.272 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1cccnc1)CC(=O)O3 ZINC000253411453 527124473 /nfs/dbraw/zinc/12/44/73/527124473.db2.gz OPZDVWWNEOGZOK-BEWREHSGSA-N 0 0 369.376 4.139 50 30 biogenic FIEARN O=[N+]([O-])c1cccc(C=NNc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000004856052 527385181 /nfs/dbraw/zinc/38/51/81/527385181.db2.gz YRGCIZXDSOZSAW-WSDLNYQXSA-N 0 0 370.372 4.046 50 30 FIEARN O=C(/C=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)OCO2 ZINC000096930334 527660450 /nfs/dbraw/zinc/66/04/50/527660450.db2.gz XOOYMXMWTLPFBV-ALCCZGGFSA-N 0 0 366.804 4.210 50 30 FIEARN N#Cc1cc(Oc2ccc(F)cc2)c(-n2nnc3ccccc32)cc1C#N ZINC000000718873 568130485 /nfs/dbraw/zinc/13/04/85/568130485.db2.gz SRTPKAXIUGZUQC-UHFFFAOYSA-N 0 0 355.332 4.095 50 30 FIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 ZINC000000719744 568131035 /nfs/dbraw/zinc/13/10/35/568131035.db2.gz ZSVCRTYPIXPKCP-UHFFFAOYSA-N 0 0 368.462 4.072 50 30 FIEARN Cc1ccccc1[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(F)(F)F ZINC000024929708 568292863 /nfs/dbraw/zinc/29/28/63/568292863.db2.gz JBGZKJJJACTVJP-SUMWQHHRSA-N 0 0 363.335 4.481 50 30 FIEARN Cc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000024506951 568468229 /nfs/dbraw/zinc/46/82/29/568468229.db2.gz SBINJEFMJUPFOB-UHFFFAOYSA-N 0 0 368.358 4.344 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(O)c1 ZINC000000635028 570441472 /nfs/dbraw/zinc/44/14/72/570441472.db2.gz KOPUTNSMUCFAMZ-UHFFFAOYSA-N 0 0 365.473 4.365 50 30 FIEARN Cc1cc(-n2c3ccccc3nc2CC#N)n2c3ccccc3nc2c1C#N ZINC000000634578 570441562 /nfs/dbraw/zinc/44/15/62/570441562.db2.gz HXUXROSKOCKVSO-UHFFFAOYSA-N 0 0 362.396 4.073 50 30 FIEARN Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1I ZINC000000712988 570452056 /nfs/dbraw/zinc/45/20/56/570452056.db2.gz IFRCRBNRAYERLC-VGOFMYFVSA-N 0 0 372.187 4.320 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000753390 570454973 /nfs/dbraw/zinc/45/49/73/570454973.db2.gz BSYQJCPYTIQZPF-MRXNPFEDSA-N 0 0 366.244 4.134 50 30 FIEARN Cc1oc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000943163 570464759 /nfs/dbraw/zinc/46/47/59/570464759.db2.gz DHGMKADNIQOASJ-LSHDLFTRSA-N 0 0 363.442 4.274 50 30 FIEARN FC(F)(F)[C@@](F)(Br)[C@@](F)(Br)C(F)(F)F ZINC000095676719 570470386 /nfs/dbraw/zinc/47/03/86/570470386.db2.gz WDEZAGXZUSQBLW-XIXRPRMCSA-N 0 0 359.836 4.232 50 30 FIEARN CCSC1=N/C(=C\c2ccc(N(CC)CC)cc2OC)C(=O)S1 ZINC000001007357 570470973 /nfs/dbraw/zinc/47/09/73/570470973.db2.gz DJTMZQFDXSBJTH-UVTDQMKNSA-N 0 0 350.509 4.265 50 30 FIEARN COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/c1ccc(C)cc1 ZINC000001031835 570472468 /nfs/dbraw/zinc/47/24/68/570472468.db2.gz BWWTYOSKMWBXBQ-CIAFOILYSA-N 0 0 353.809 4.371 50 30 FIEARN C=CCNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023316104 570485474 /nfs/dbraw/zinc/48/54/74/570485474.db2.gz FDYLCVZHQPDIKU-UHFFFAOYSA-N 0 0 371.362 4.474 50 30 FIEARN CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100288118 570502473 /nfs/dbraw/zinc/50/24/73/570502473.db2.gz BNCSYKIUCWOUQF-LJQANCHMSA-N 0 0 358.434 4.139 50 30 FIEARN CC1=C(C(=O)c2ccc(C(F)(F)F)cc2)N(C)[C@@H]2CCCC[C@@H]2N1C ZINC000101361759 570511960 /nfs/dbraw/zinc/51/19/60/570511960.db2.gz NDWWPBQNUOGMKH-JKSUJKDBSA-N 0 0 352.400 4.308 50 30 FIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000100136388 570523481 /nfs/dbraw/zinc/52/34/81/570523481.db2.gz RMCVKWXJZKBMDA-YDJIHCHBSA-N 0 0 370.408 4.016 50 30 FIEARN N#CC(=NNc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000033826079 570587519 /nfs/dbraw/zinc/58/75/19/570587519.db2.gz RWLUUVGYDYELMD-HYARGMPZSA-N 0 0 367.365 4.197 50 30 FIEARN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccnc1 ZINC000004740776 570604130 /nfs/dbraw/zinc/60/41/30/570604130.db2.gz JMBZWUIMVKEMSH-BUVRLJJBSA-N 0 0 360.461 4.076 50 30 FIEARN CCc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000252590387 570624107 /nfs/dbraw/zinc/62/41/07/570624107.db2.gz ASICOCAUNYMKFH-RYBWPTGJSA-N 0 0 366.442 4.212 50 30 FIEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 ZINC000012406362 570742561 /nfs/dbraw/zinc/74/25/61/570742561.db2.gz WXTXDZFNBXVIQR-CKZKCJOCSA-N 0 0 362.429 4.477 50 30 FIEARN Cc1ccc([C@H]2c3c(C)nn(-c4ccccn4)c3NC3=C2C(=O)CCC3)o1 ZINC000013121783 570773986 /nfs/dbraw/zinc/77/39/86/570773986.db2.gz KOXHYVZCANEELI-FQEVSTJZSA-N 0 0 360.417 4.042 50 30 FIEARN Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000013726330 570787624 /nfs/dbraw/zinc/78/76/24/570787624.db2.gz CSTFPFOFAHOOSH-HNNXBMFYSA-N 0 0 359.223 4.310 50 30 FIEARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000018113938 570807963 /nfs/dbraw/zinc/80/79/63/570807963.db2.gz PIBSZKYVAVQYBX-UHFFFAOYSA-N 0 0 355.397 4.436 50 30 FIEARN C=CCN(CC=C)C(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000003106292 570817744 /nfs/dbraw/zinc/81/77/44/570817744.db2.gz KGVYRVWLFWHEGC-UHFFFAOYSA-N 0 0 350.896 4.243 50 30 FIEARN C=CCN(Cc1cccs1)C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000032888379 570835949 /nfs/dbraw/zinc/83/59/49/570835949.db2.gz KCZWOLYJGJTHPL-UHFFFAOYSA-N 0 0 353.447 4.299 50 30 FIEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc(C)n1 ZINC000024568961 570859338 /nfs/dbraw/zinc/85/93/38/570859338.db2.gz JVVHYVIQZOOWAU-UHFFFAOYSA-N 0 0 372.519 4.026 50 30 FIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019536301 570892141 /nfs/dbraw/zinc/89/21/41/570892141.db2.gz HWFUXTLTPARKHS-GOSISDBHSA-N 0 0 359.853 4.260 50 30 FIEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000044842559 570901183 /nfs/dbraw/zinc/90/11/83/570901183.db2.gz VOPPODPYJCTKDI-ZHACJKMWSA-N 0 0 367.401 4.181 50 30 FIEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000044842716 570901317 /nfs/dbraw/zinc/90/13/17/570901317.db2.gz UMQQSEMOOPGKFA-BQYQJAHWSA-N 0 0 351.280 4.122 50 30 FIEARN CC1(C)CC(=O)C2C(=Nc3cccnc3N[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000020036635 570908607 /nfs/dbraw/zinc/90/86/07/570908607.db2.gz JLWMXZXYDMMDTJ-LJQANCHMSA-N 0 0 363.417 4.032 50 30 FIEARN C=CCn1c2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2oc1=O ZINC000046010568 570918768 /nfs/dbraw/zinc/91/87/68/570918768.db2.gz SZZHHQVNLBKJRI-UHFFFAOYSA-N 0 0 373.796 4.087 50 30 FIEARN CCc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1cccnc1 ZINC000046127920 570927117 /nfs/dbraw/zinc/92/71/17/570927117.db2.gz HIAYUPNDGUDNGU-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2)cc1 ZINC000046127693 570927138 /nfs/dbraw/zinc/92/71/38/570927138.db2.gz CIBFGRWWFKMXQF-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc(Cl)c(C)c1 ZINC000021965663 570936392 /nfs/dbraw/zinc/93/63/92/570936392.db2.gz XFCVWUIGVNFEQC-ZDUSSCGKSA-N 0 0 367.792 4.164 50 30 FIEARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608090 570947296 /nfs/dbraw/zinc/94/72/96/570947296.db2.gz OKBUKLSDQJYCIF-VPTHRUTESA-N 0 0 363.248 4.161 50 30 FIEARN CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1OC ZINC000001268835 571045621 /nfs/dbraw/zinc/04/56/21/571045621.db2.gz DCUJHCNIYYDPDZ-LDADJPATSA-N 0 0 368.458 4.294 50 30 FIEARN CCOC(=O)CS[C@@H]1c2ccccc2Nc2c(C#N)c(Cl)ncc21 ZINC000001300758 571048286 /nfs/dbraw/zinc/04/82/86/571048286.db2.gz UWHCBCCXQULVSF-MRXNPFEDSA-N 0 0 359.838 4.049 50 30 FIEARN COc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1CC#N ZINC000012697340 571050308 /nfs/dbraw/zinc/05/03/08/571050308.db2.gz HBCJLFQEBYSBQO-UHFFFAOYSA-N 0 0 367.430 4.049 50 30 FIEARN C=CCOc1c(Cl)cc(CN(C)Cc2nncn2C(C)C)cc1Cl ZINC000055341546 571058756 /nfs/dbraw/zinc/05/87/56/571058756.db2.gz XXBAHJBCNUBHTB-UHFFFAOYSA-N 0 0 369.296 4.363 50 30 FIEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O ZINC000008765425 571060843 /nfs/dbraw/zinc/06/08/43/571060843.db2.gz LECZNJZKTIYGGY-JMIUGGIZSA-N 0 0 350.370 4.377 50 30 biogenic FIEARN CCc1cccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)c1 ZINC000046127796 571064813 /nfs/dbraw/zinc/06/48/13/571064813.db2.gz FBZWFKVOZGBIKX-UHFFFAOYSA-N 0 0 358.445 4.042 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2ccccc2)cn1 ZINC000065435200 571074201 /nfs/dbraw/zinc/07/42/01/571074201.db2.gz ZTACFWSVSLFONS-OAQYLSRUSA-N 0 0 370.456 4.333 50 30 FIEARN CCN1C=C(C(=O)C=Cc2ccc(F)cc2)[C@H](c2ccc(C)cc2)NC1=O ZINC000012391501 571084089 /nfs/dbraw/zinc/08/40/89/571084089.db2.gz HZAHVTFXFIKYQT-LNYGYFNRSA-N 0 0 364.420 4.387 50 30 FIEARN CC(=O)Nc1ccc(C(C)=NOCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000245267913 571096369 /nfs/dbraw/zinc/09/63/69/571096369.db2.gz NBMYLBMAXJKEKH-UHFFFAOYSA-N 0 0 374.824 4.010 50 30 FIEARN N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000301723497 571097359 /nfs/dbraw/zinc/09/73/59/571097359.db2.gz OGGZEUZKCOIUTL-RDTXWAMCSA-N 0 0 359.882 4.226 50 30 FIEARN C#CCOC(=O)Nc1cnc(Sc2ccccc2)c(C(F)(F)F)c1 ZINC000004335925 571102143 /nfs/dbraw/zinc/10/21/43/571102143.db2.gz BFZJLWWHJVYONY-UHFFFAOYSA-N 0 0 352.337 4.433 50 30 FIEARN C=CCNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 ZINC000004334956 571102156 /nfs/dbraw/zinc/10/21/56/571102156.db2.gz XCXOXFKUMDUJRG-CRAIPNDOSA-N 0 0 353.516 4.132 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000004868562 571102423 /nfs/dbraw/zinc/10/24/23/571102423.db2.gz OSZLEIRIVDPWFF-UHFFFAOYSA-N 0 0 364.445 4.130 50 30 FIEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCc1cccnc1 ZINC000005323566 571102824 /nfs/dbraw/zinc/10/28/24/571102824.db2.gz WGERHUKJTHQUQT-UHFFFAOYSA-N 0 0 355.445 4.440 50 30 FIEARN C=CCn1c(=O)c2ccsc2nc1SCc1cc(-c2ccco2)on1 ZINC000009364169 571106458 /nfs/dbraw/zinc/10/64/58/571106458.db2.gz UOZBZOXIGBOJCQ-UHFFFAOYSA-N 0 0 371.443 4.184 50 30 FIEARN Cn1c2ccccc2cc(C=C2SC(=O)N=C2Nc2ccccc2)c1=O ZINC000085432496 571115457 /nfs/dbraw/zinc/11/54/57/571115457.db2.gz WXTOVBTTYHESGN-ATVHPVEESA-N 0 0 361.426 4.270 50 30 FIEARN Cc1c(/N=C/c2c(O)ccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000012372086 571115819 /nfs/dbraw/zinc/11/58/19/571115819.db2.gz SFKAWDFUODXKKF-OEAKJJBVSA-N 0 0 357.413 4.094 50 30 FIEARN C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2s1 ZINC000014140599 571120867 /nfs/dbraw/zinc/12/08/67/571120867.db2.gz ATUCMGGNUHXRAD-UHFFFAOYSA-N 0 0 354.431 4.146 50 30 FIEARN C=CCn1c2nc(-c3cccc(OCC(=C)C)c3)[nH]c(=O)c2sc1=S ZINC000001444478 571123914 /nfs/dbraw/zinc/12/39/14/571123914.db2.gz IDIQKYBUMROKAN-UHFFFAOYSA-N 0 0 371.487 4.323 50 30 FIEARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]2C1 ZINC000102071033 571151708 /nfs/dbraw/zinc/15/17/08/571151708.db2.gz KJWSKORJFCFRHG-UAOJZALGSA-N 0 0 360.413 4.276 50 30 FIEARN CCOc1ccccc1O[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N ZINC000075148717 571156975 /nfs/dbraw/zinc/15/69/75/571156975.db2.gz LXNUOAWBGVZVCN-QWHCGFSZSA-N 0 0 363.870 4.479 50 30 FIEARN N#C[C@H]1CC(c2ccccc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F ZINC000075253532 571158574 /nfs/dbraw/zinc/15/85/74/571158574.db2.gz HPHJGKHMCZTWFQ-SECBINFHSA-N 0 0 353.706 4.403 50 30 FIEARN O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])c1 ZINC000075271673 571159072 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C#CCOc1cccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c1 ZINC000036366020 204351929 /nfs/dbraw/zinc/35/19/29/204351929.db2.gz ZZGZZXZDHXGFMW-MRXNPFEDSA-N 0 0 367.474 4.269 50 30 FIEARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2sccc2C#N)cc1 ZINC000009385894 204366327 /nfs/dbraw/zinc/36/63/27/204366327.db2.gz PXWGQGMWGKHNFZ-GOSISDBHSA-N 0 0 369.490 4.184 50 30 FIEARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(Br)c1 ZINC000008735027 204342537 /nfs/dbraw/zinc/34/25/37/204342537.db2.gz CSAQTDYOGGMHMQ-GFCCVEGCSA-N 0 0 359.223 4.035 50 30 FIEARN Cc1cc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)no1 ZINC000008754525 204344157 /nfs/dbraw/zinc/34/41/57/204344157.db2.gz PKBPCHGAGXWIQV-UHFFFAOYSA-N 0 0 364.430 4.103 50 30 FIEARN CCN1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C\c2ccc(OC)cc2)C1 ZINC000012604690 204481208 /nfs/dbraw/zinc/48/12/08/204481208.db2.gz VQUWAROOHKASSD-LRVMPXQBSA-N 0 0 363.457 4.075 50 30 FIEARN N#Cc1c(COC(=O)/C=C/c2ccc3ccccc3n2)cn2ccccc12 ZINC000014728705 204586243 /nfs/dbraw/zinc/58/62/43/204586243.db2.gz LLTGXMNWCOLVHA-ZHACJKMWSA-N 0 0 353.381 4.116 50 30 FIEARN N#Cc1ccc(F)c(CSc2nc3ccccc3c(=O)n2C2CC2)c1 ZINC000014125007 204567492 /nfs/dbraw/zinc/56/74/92/204567492.db2.gz UWSBKAMYMNDTCU-UHFFFAOYSA-N 0 0 351.406 4.034 50 30 FIEARN CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820782 204709348 /nfs/dbraw/zinc/70/93/48/204709348.db2.gz ZOBVGNKRFAAOFS-UHFFFAOYSA-N 0 0 350.422 4.488 50 30 FIEARN Cc1nc(SC[C@@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1 ZINC000022132817 204769272 /nfs/dbraw/zinc/76/92/72/204769272.db2.gz MGRGGSXTFPUFNZ-KRWDZBQOSA-N 0 0 367.474 4.175 50 30 FIEARN O=C1c2cccc(F)c2SC/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000032820145 204939728 /nfs/dbraw/zinc/93/97/28/204939728.db2.gz XSUXALNWYHIFAB-SXGWCWSVSA-N 0 0 350.418 4.443 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2c(C)n[nH]c2C)cn1 ZINC000067756851 204996712 /nfs/dbraw/zinc/99/67/12/204996712.db2.gz HKJARVXFDNQFFV-UHFFFAOYSA-N 0 0 372.476 4.182 50 30 FIEARN N#Cc1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 ZINC000040050785 205051394 /nfs/dbraw/zinc/05/13/94/205051394.db2.gz RQQWAOODRBNYHJ-QGZVFWFLSA-N 0 0 362.458 4.147 50 30 FIEARN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1Cl ZINC000048333666 205158960 /nfs/dbraw/zinc/15/89/60/205158960.db2.gz JMPKGJFUNPDAPM-UHFFFAOYSA-N 0 0 372.833 4.200 50 30 FIEARN Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000048830197 205165804 /nfs/dbraw/zinc/16/58/04/205165804.db2.gz DKSFSWGAHJJXFW-MRXNPFEDSA-N 0 0 370.334 4.085 50 30 FIEARN CCc1cc(C(=O)Nc2ccc(C#N)cc2)nc2cc(-c3ccsc3)nn21 ZINC000064760419 205305217 /nfs/dbraw/zinc/30/52/17/205305217.db2.gz VIQCBHVBEKJVCO-UHFFFAOYSA-N 0 0 373.441 4.144 50 30 FIEARN Cc1cccc(NC(=O)c2ccc(CN(C)[C@H](C)c3ccon3)cc2)c1C#N ZINC000065380959 205340799 /nfs/dbraw/zinc/34/07/99/205340799.db2.gz AXBHTFAOQUAYJZ-MRXNPFEDSA-N 0 0 374.444 4.300 50 30 FIEARN N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072140407 205478914 /nfs/dbraw/zinc/47/89/14/205478914.db2.gz VXEHQFOXOYWDHP-LJQANCHMSA-N 0 0 361.445 4.004 50 30 FIEARN O=c1[nH][nH]c2c1[C@@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196464 220227257 /nfs/dbraw/zinc/22/72/57/220227257.db2.gz SUEPHMDAPYHWDV-LRDDRELGSA-N 0 0 363.442 4.135 50 30 FIEARN N#CCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 ZINC000096307385 205873527 /nfs/dbraw/zinc/87/35/27/205873527.db2.gz FEHHPZKBNQONIM-SXGWCWSVSA-N 0 0 373.195 4.240 50 30 FIEARN O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000100698816 205946403 /nfs/dbraw/zinc/94/64/03/205946403.db2.gz XCGTVQAGFOCWDQ-UHFFFAOYSA-N 0 0 371.174 4.268 50 30 FIEARN CCOCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccccc1 ZINC000101854336 205966120 /nfs/dbraw/zinc/96/61/20/205966120.db2.gz UZKNCQFFMMMVLV-VWTGEQJNSA-N 0 0 370.449 4.466 50 30 FIEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000044890042 206073458 /nfs/dbraw/zinc/07/34/58/206073458.db2.gz OAJPCFINQDVUBA-MRXNPFEDSA-N 0 0 359.216 4.084 50 30 FIEARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1nccs1 ZINC000049772099 206095128 /nfs/dbraw/zinc/09/51/28/206095128.db2.gz YOCUAXOILLBBRU-UHFFFAOYSA-N 0 0 358.492 4.220 50 30 FIEARN C=CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000001777080 206151381 /nfs/dbraw/zinc/15/13/81/206151381.db2.gz TYSBRWHJNOXCLI-UHFFFAOYSA-N 0 0 368.341 4.295 50 30 FIEARN C[C@]12CC3(SCCS3)C3=C(CCCC3=O)N1CCc1ccccc12 ZINC000004064835 206166589 /nfs/dbraw/zinc/16/65/89/206166589.db2.gz DAILSGQYKNVYKT-LJQANCHMSA-N 0 0 357.544 4.347 50 30 biogenic FIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1OC ZINC000004069995 206167049 /nfs/dbraw/zinc/16/70/49/206167049.db2.gz IEUBTWWSLGSRPS-NSHDSACASA-N 0 0 356.447 4.014 50 30 FIEARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2)c1C#N ZINC000004128382 206167789 /nfs/dbraw/zinc/16/77/89/206167789.db2.gz LXHNNWGEOLGKIN-UHFFFAOYSA-N 0 0 351.793 4.241 50 30 FIEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000004696588 206182174 /nfs/dbraw/zinc/18/21/74/206182174.db2.gz KTEWMZVMTXIQMO-KAVGSWPWSA-N 0 0 350.330 4.333 50 30 FIEARN CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004898439 206182844 /nfs/dbraw/zinc/18/28/44/206182844.db2.gz OXASPXZINCQJBR-PPJHHJNZSA-N 0 0 361.467 4.131 50 30 FIEARN Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 ZINC000004935925 206183939 /nfs/dbraw/zinc/18/39/39/206183939.db2.gz XMKWKFDLZXGMOH-KJYJHBNDSA-N 0 0 369.465 4.297 50 30 FIEARN COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 ZINC000005358173 206195036 /nfs/dbraw/zinc/19/50/36/206195036.db2.gz IPUSMOINVZLXSB-AWQFTUOYSA-N 0 0 369.299 4.077 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000005377248 206192469 /nfs/dbraw/zinc/19/24/69/206192469.db2.gz QFBLKLVZMVROIA-XNTDXEJSSA-N 0 0 372.427 4.242 50 30 FIEARN CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1 ZINC000005868321 206199790 /nfs/dbraw/zinc/19/97/90/206199790.db2.gz PAAYSFSIIHKBSV-UHFFFAOYSA-N 0 0 350.418 4.339 50 30 FIEARN Cc1ccc(CSc2nnc(NC(=O)c3ccc(C#N)cc3)s2)cc1 ZINC000006610692 206201937 /nfs/dbraw/zinc/20/19/37/206201937.db2.gz KTDFNORYKAKACI-UHFFFAOYSA-N 0 0 366.471 4.263 50 30 FIEARN CC(C)(C)OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000006542706 206204085 /nfs/dbraw/zinc/20/40/85/206204085.db2.gz PPUBIXDLRJYONP-UHFFFAOYSA-N 0 0 369.442 4.208 50 30 FIEARN CCOc1ccc(N=CC(=CNc2ccc(OCC)cc2)[N+](=O)[O-])cc1 ZINC000100713994 206224512 /nfs/dbraw/zinc/22/45/12/206224512.db2.gz PJVGAHXUERDQSR-QZKUAPIUSA-N 0 0 355.394 4.417 50 30 FIEARN C=CCN1c2ccc(NC(=O)c3ccccc3C)cc2OCC(C)(C)C1=O ZINC000008958711 206221278 /nfs/dbraw/zinc/22/12/78/206221278.db2.gz ZRBOMHJMOLYCAV-UHFFFAOYSA-N 0 0 364.445 4.185 50 30 FIEARN N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003359884 206233042 /nfs/dbraw/zinc/23/30/42/206233042.db2.gz BLLPIKIQECCJQZ-UHFFFAOYSA-N 0 0 354.715 4.248 50 30 FIEARN C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012419639 206289870 /nfs/dbraw/zinc/28/98/70/206289870.db2.gz VJRFGIHBEAVSJO-UHFFFAOYSA-N 0 0 360.460 4.142 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000012737103 206295125 /nfs/dbraw/zinc/29/51/25/206295125.db2.gz MJKMGNHCMCGFHS-UHFFFAOYSA-N 0 0 355.393 4.125 50 30 FIEARN CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000013522778 206303522 /nfs/dbraw/zinc/30/35/22/206303522.db2.gz DRGNTWYQJADYTL-IBGZPJMESA-N 0 0 352.507 4.128 50 30 FIEARN CCOC(=O)c1sc(N)c(C#N)c1COc1cccc(Cl)c1Cl ZINC000014095435 206307331 /nfs/dbraw/zinc/30/73/31/206307331.db2.gz CFDMCYMVSHYTLN-UHFFFAOYSA-N 0 0 371.245 4.264 50 30 FIEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1OC ZINC000016693385 206320599 /nfs/dbraw/zinc/32/05/99/206320599.db2.gz IZGUIARHAQPSMP-YBEGLDIGSA-N 0 0 374.849 4.249 50 30 FIEARN Cc1cccc(-n2c(SCC#N)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 ZINC000016841536 206320775 /nfs/dbraw/zinc/32/07/75/206320775.db2.gz FXQPSIBQTNZCGP-UHFFFAOYSA-N 0 0 372.453 4.305 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000019228570 206324224 /nfs/dbraw/zinc/32/42/24/206324224.db2.gz OTQHJFMREQMCOG-LJQANCHMSA-N 0 0 368.477 4.029 50 30 FIEARN CC(C)=C1Oc2c(ccc3c2[C@H](C2=Cc4ccccc4OC2)CC(=O)O3)C1=O ZINC000217594576 206363824 /nfs/dbraw/zinc/36/38/24/206363824.db2.gz AULFWHLJIYYAGR-INIZCTEOSA-N 0 0 374.392 4.424 50 30 biogenic FIEARN N#Cc1ccc(N2CCN([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)nc1 ZINC000089794193 132200267 /nfs/dbraw/zinc/20/02/67/132200267.db2.gz OKNVAPVFQLPORO-SFHVURJKSA-N 0 0 373.287 4.070 50 30 FIEARN C=CCN1C(=O)/C(=C\C=C2/C=CN(CC)c3ccccc32)SC1=S ZINC000012411937 132373468 /nfs/dbraw/zinc/37/34/68/132373468.db2.gz FOKYLXZRIVSNNF-QWGLIZDWSA-N 0 0 354.500 4.354 50 30 FIEARN N#Cc1c2c(sc1NC(=O)CCN1CCCc3ccc(F)cc31)CCC2 ZINC000048253143 136123036 /nfs/dbraw/zinc/12/30/36/136123036.db2.gz AMMDEOIXSBRPMN-UHFFFAOYSA-N 0 0 369.465 4.029 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000669911 263141109 /nfs/dbraw/zinc/14/11/09/263141109.db2.gz YJHKJCCEYURVPF-BQYQJAHWSA-N 0 0 362.769 4.074 50 30 FIEARN N#C[C@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccc(F)cc1 ZINC000005341157 263340482 /nfs/dbraw/zinc/34/04/82/263340482.db2.gz NJPPKTXZBNARBI-KBPBESRZSA-N 0 0 372.446 4.055 50 30 FIEARN CCCc1cc(-c2nc(C)c(C(C)=NNc3nc(C)cs3)s2)ccn1 ZINC000008767881 263357187 /nfs/dbraw/zinc/35/71/87/263357187.db2.gz XZVPRIIBOIHPPY-LPYMAVHISA-N 0 0 371.535 4.489 50 30 FIEARN C=CCOc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 ZINC000012053962 263369036 /nfs/dbraw/zinc/36/90/36/263369036.db2.gz GMJDMSYMEHZDAI-LJQANCHMSA-N 0 0 354.425 4.107 50 30 FIEARN CC(C)(C)C1CCC(C(=O)OCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000004965302 518602352 /nfs/dbraw/zinc/60/23/52/518602352.db2.gz HQFBODOREPSPKY-UHFFFAOYSA-N 0 0 370.493 4.329 50 30 FIEARN C=C(C)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000032666466 518608592 /nfs/dbraw/zinc/60/85/92/518608592.db2.gz VZKJNAZBCLEHHG-UHFFFAOYSA-N 0 0 364.397 4.413 50 30 FIEARN C=C(C)COc1c(CN2CCCC[C@@H]2c2nc(C)no2)cccc1OC ZINC000055061077 518608700 /nfs/dbraw/zinc/60/87/00/518608700.db2.gz JNVHYRPAWBFZSM-QGZVFWFLSA-N 0 0 357.454 4.069 50 30 FIEARN C=C(C)CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1 ZINC000032876777 518624973 /nfs/dbraw/zinc/62/49/73/518624973.db2.gz BDALBRIYSLIDBK-CQSZACIVSA-N 0 0 354.479 4.274 50 30 FIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000007285031 518780167 /nfs/dbraw/zinc/78/01/67/518780167.db2.gz VHZZQEUKEOOCQC-UHFFFAOYSA-N 0 0 362.882 4.117 50 30 FIEARN C=CCN(Cc1cccs1)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000016395424 518791261 /nfs/dbraw/zinc/79/12/61/518791261.db2.gz KYRJNQHATIHBOJ-UHFFFAOYSA-N 0 0 371.462 4.004 50 30 FIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009530408 518796282 /nfs/dbraw/zinc/79/62/82/518796282.db2.gz CZPQRBRKFKYBPN-ZDLGFXPLSA-N 0 0 370.376 4.162 50 30 FIEARN C=CCc1ccc(OCC(=O)Nc2c(F)cccc2NC2CC2)c(OC)c1 ZINC000076093158 519135941 /nfs/dbraw/zinc/13/59/41/519135941.db2.gz KJPPFZNMOKAJAL-UHFFFAOYSA-N 0 0 370.424 4.155 50 30 FIEARN C=CCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccco1 ZINC000008944540 519229947 /nfs/dbraw/zinc/22/99/47/519229947.db2.gz KPONAMZAXUTVCI-UHFFFAOYSA-N 0 0 364.430 4.180 50 30 FIEARN C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1C1CC1 ZINC000021243417 519237089 /nfs/dbraw/zinc/23/70/89/519237089.db2.gz MEMPMLGDHKOKIX-UHFFFAOYSA-N 0 0 367.474 4.357 50 30 FIEARN C=CCn1c(SCc2ccccc2N(C)C)nnc1-c1ccoc1C ZINC000123752348 519245678 /nfs/dbraw/zinc/24/56/78/519245678.db2.gz FFGDRGZAUOJAKR-UHFFFAOYSA-N 0 0 354.479 4.391 50 30 FIEARN CC(C)C(=O)Nc1sc(N=NCc2ccco2)nc1-c1ccccc1 ZINC000016753150 519533126 /nfs/dbraw/zinc/53/31/26/519533126.db2.gz QPFSAQDGQWNCPO-YBFXNURJSA-N 0 0 354.435 4.444 50 30 FIEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000254835679 519757669 /nfs/dbraw/zinc/75/76/69/519757669.db2.gz NHUDOBXYMZWEFY-SWMFTOKCSA-N 0 0 372.505 4.265 50 30 FIEARN CCOc1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000096920219 520851965 /nfs/dbraw/zinc/85/19/65/520851965.db2.gz AZIOSIQBSCLKJT-LUAWRHEFSA-N 0 0 365.429 4.117 50 30 FIEARN CCOC(=O)SC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1 ZINC000004953299 520999310 /nfs/dbraw/zinc/99/93/10/520999310.db2.gz FSXSGIDLMBYJKT-UITAMQMPSA-N 0 0 372.811 4.108 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1 ZINC000004918862 521091796 /nfs/dbraw/zinc/09/17/96/521091796.db2.gz AWRCGTJTUWYUEF-LPHOPBHVSA-N 0 0 356.443 4.076 50 30 FIEARN CCC(C)(CC)NC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000328596659 521373115 /nfs/dbraw/zinc/37/31/15/521373115.db2.gz NCPAVGZJDFOOIF-UHFFFAOYSA-N 0 0 355.438 4.465 50 30 FIEARN CCc1cnc(CCNC(=O)Nc2cc(C(C)(C)C)sc2C#N)s1 ZINC000089289652 522007611 /nfs/dbraw/zinc/00/76/11/522007611.db2.gz USDSTUJEVPEEBW-UHFFFAOYSA-N 0 0 362.524 4.300 50 30 FIEARN CO/N=C(/C[S@](=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001404668 522737082 /nfs/dbraw/zinc/73/70/82/522737082.db2.gz CHGKZEIVGCVYFW-MHZRJXOASA-N 0 0 356.274 4.293 50 30 FIEARN CCn1nccc1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000006490113 523708567 /nfs/dbraw/zinc/70/85/67/523708567.db2.gz ONWYHLOAPFTXKH-VMPITWQZSA-N 0 0 351.362 4.276 50 30 FIEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005960997 524362803 /nfs/dbraw/zinc/36/28/03/524362803.db2.gz SZDFYNLSXNIHTE-ODLFYWEKSA-N 0 0 362.337 4.124 50 30 biogenic FIEARN COc1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl ZINC000015294262 524677867 /nfs/dbraw/zinc/67/78/67/524677867.db2.gz XSQVFLYLNHDHKI-UHFFFAOYSA-N 0 0 361.854 4.015 50 30 FIEARN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000023804728 525209296 /nfs/dbraw/zinc/20/92/96/525209296.db2.gz OPQVSNMRRDLLPZ-CHWSQXEVSA-N 0 0 374.466 4.284 50 30 FIEARN COc1cccc(NC(=O)CON=C2c3ccccc3-c3ccccc32)c1 ZINC000005460002 526175698 /nfs/dbraw/zinc/17/56/98/526175698.db2.gz WVINFUPIONNSEF-UHFFFAOYSA-N 0 0 358.397 4.083 50 30 FIEARN N#CCc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000005281348 526482755 /nfs/dbraw/zinc/48/27/55/526482755.db2.gz WUGIRDZTNLYSTC-UHFFFAOYSA-N 0 0 370.408 4.001 50 30 FIEARN N#Cc1c2c(sc1N1C(=O)Nc3ccccc3N1O)CCCCCC2 ZINC000000688269 526532621 /nfs/dbraw/zinc/53/26/21/526532621.db2.gz NRXLIAAAKNANIF-UHFFFAOYSA-N 0 0 354.435 4.441 50 30 FIEARN N#Cc1nc(NCc2csc(CCc3ccccc3)n2)ccc1Cl ZINC000081033600 526788757 /nfs/dbraw/zinc/78/87/57/526788757.db2.gz LDIDWMHMEILHNS-UHFFFAOYSA-N 0 0 354.866 4.460 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](c1ccco1)CC(=O)O3 ZINC000253396004 527124515 /nfs/dbraw/zinc/12/45/15/527124515.db2.gz ASQCYGRPCVMXFF-JQFNYASXSA-N 0 0 358.349 4.337 50 30 biogenic FIEARN O=C1c2cccc(Cl)c2O/C1=C\c1ccc(O)c(Br)c1 ZINC000299738213 527125710 /nfs/dbraw/zinc/12/57/10/527125710.db2.gz JZGYCYJKBMHRDY-QPEQYQDCSA-N 0 0 351.583 4.424 50 30 FIEARN Cn1nc(C(C)(C)C)cc1C(=O)O/N=C/c1c(Cl)cccc1Cl ZINC000001324158 527548682 /nfs/dbraw/zinc/54/86/82/527548682.db2.gz RGCRHXIQPLGCDY-DJKKODMXSA-N 0 0 354.237 4.215 50 30 FIEARN O=C(/C=C\c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000098059448 527654173 /nfs/dbraw/zinc/65/41/73/527654173.db2.gz SODRJSSRNNTLOC-BHQIHCQQSA-N 0 0 363.791 4.351 50 30 FIEARN O=C(/C=C\c1ccccc1Br)c1cccc(N2CCCC2=O)c1 ZINC000096920239 527658383 /nfs/dbraw/zinc/65/83/83/527658383.db2.gz LTMZFHNQRZDREG-KHPPLWFESA-N 0 0 370.246 4.472 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1c(Cl)cccc1Cl ZINC000012348876 568289039 /nfs/dbraw/zinc/28/90/39/568289039.db2.gz SFTXVHKGSDZOLM-OAHLLOKOSA-N 0 0 363.248 4.243 50 30 FIEARN C=CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 ZINC000032916398 568424171 /nfs/dbraw/zinc/42/41/71/568424171.db2.gz KSQNKBVEUKQHMW-AWEZNQCLSA-N 0 0 353.896 4.266 50 30 FIEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 ZINC000002837697 568455565 /nfs/dbraw/zinc/45/55/65/568455565.db2.gz MLSAGPCYJKTSBY-UHFFFAOYSA-N 0 0 368.502 4.091 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1 ZINC000000629699 570440324 /nfs/dbraw/zinc/44/03/24/570440324.db2.gz AOPYGJZYZFSWNA-UHFFFAOYSA-N 0 0 365.473 4.365 50 30 FIEARN CCn1c2ccccc2c2cc(/C=N/N3C(=O)c4ccccc4C3=O)ccc21 ZINC000000705160 570451253 /nfs/dbraw/zinc/45/12/53/570451253.db2.gz YVRLDYRPGSIXBI-ZVHZXABRSA-N 0 0 367.408 4.445 50 30 FIEARN Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/c2ccccc2)cc1 ZINC000001241410 570496130 /nfs/dbraw/zinc/49/61/30/570496130.db2.gz USYDFACAWIVBIC-HZHRSRAPSA-N 0 0 354.413 4.497 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])o1 ZINC000001304905 570497138 /nfs/dbraw/zinc/49/71/38/570497138.db2.gz FAGDDYKDMJWQIE-GOSISDBHSA-N 0 0 353.378 4.410 50 30 FIEARN Cc1c(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cnn1C ZINC000071745840 570510377 /nfs/dbraw/zinc/51/03/77/570510377.db2.gz RBEIRHJLYBARFV-UHFFFAOYSA-N 0 0 358.232 4.218 50 30 FIEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1O ZINC000101523237 570512524 /nfs/dbraw/zinc/51/25/24/570512524.db2.gz FSVQGYUPCMIJDI-KDWIEBRMSA-N 0 0 368.458 4.333 50 30 FIEARN CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000014188801 570518709 /nfs/dbraw/zinc/51/87/09/570518709.db2.gz GULTVIZMQBPGQI-UHFFFAOYSA-N 0 0 354.475 4.035 50 30 FIEARN C=CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000002984689 570547433 /nfs/dbraw/zinc/54/74/33/570547433.db2.gz QXUPBDOJPZFKST-UHFFFAOYSA-N 0 0 369.214 4.477 50 30 FIEARN COc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2ccccc2)oc1C ZINC000024042877 570548993 /nfs/dbraw/zinc/54/89/93/570548993.db2.gz RSJLLVCZPXLHBW-UHFFFAOYSA-N 0 0 368.776 4.403 50 30 FIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(NC(C)=O)cc1 ZINC000033458484 570553332 /nfs/dbraw/zinc/55/33/32/570553332.db2.gz QBDZKEQCGYZKQO-UITAMQMPSA-N 0 0 374.234 4.312 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000100439890 570557440 /nfs/dbraw/zinc/55/74/40/570557440.db2.gz UQBGJFLODCDKNC-NHFXJNLRSA-N 0 0 355.393 4.313 50 30 FIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000003843598 570568365 /nfs/dbraw/zinc/56/83/65/570568365.db2.gz LFSRETZWVUHKLB-DWBHWTKOSA-N 0 0 356.506 4.245 50 30 FIEARN CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000033742765 570580214 /nfs/dbraw/zinc/58/02/14/570580214.db2.gz OQAVORJZMXZSSV-TXVOGCCPSA-N 0 0 357.504 4.382 50 30 FIEARN O=C(C=NOCc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000252507134 570623653 /nfs/dbraw/zinc/62/36/53/570623653.db2.gz ZEALMARWEZYKLP-UHFFFAOYSA-N 0 0 358.266 4.125 50 30 FIEARN CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=Nc1ccc(OC)cc1 ZINC000252639369 570624496 /nfs/dbraw/zinc/62/44/96/570624496.db2.gz YKFLLPCISRROEB-JEFZPDFESA-N 0 0 368.458 4.415 50 30 FIEARN O=[N+]([O-])c1ccc(N=NC2CCCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000012524289 570749155 /nfs/dbraw/zinc/74/91/55/570749155.db2.gz OXWJCYWFEMNOSV-PETKRDDUSA-N 0 0 355.354 4.024 50 30 FIEARN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1Cl ZINC000032615219 570753938 /nfs/dbraw/zinc/75/39/38/570753938.db2.gz JDXKNTHUCFSPPU-UHFFFAOYSA-N 0 0 363.642 4.246 50 30 FIEARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(C#N)cc3)c12 ZINC000012994034 570771316 /nfs/dbraw/zinc/77/13/16/570771316.db2.gz ACVPNXBUGUMOBY-UHFFFAOYSA-N 0 0 360.398 4.384 50 30 FIEARN COc1ccc(/C=N/c2c(-c3ccc(OC)cc3)nc3n2CCS3)cc1 ZINC000013108411 570773843 /nfs/dbraw/zinc/77/38/43/570773843.db2.gz YMPZQZIFBHBCIN-FYJGNVAPSA-N 0 0 365.458 4.424 50 30 FIEARN Cc1nn(-c2cccc(C)c2)c2c1[C@@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000013123373 570773955 /nfs/dbraw/zinc/77/39/55/570773955.db2.gz MCQZZYUEZDBVHZ-JOCHJYFZSA-N 0 0 370.456 4.449 50 30 FIEARN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)S2)c1 ZINC000013546832 570778767 /nfs/dbraw/zinc/77/87/67/570778767.db2.gz ORFOBVQXAYFIJR-LICLKQGHSA-N 0 0 367.430 4.412 50 30 FIEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000013551977 570779225 /nfs/dbraw/zinc/77/92/25/570779225.db2.gz REPMZQFDMXYIKQ-FQEVSTJZSA-N 0 0 356.429 4.140 50 30 FIEARN Cc1ccccc1NC(=NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013597810 570780291 /nfs/dbraw/zinc/78/02/91/570780291.db2.gz HUMZPJRARIUFSI-UHFFFAOYSA-N 0 0 368.433 4.382 50 30 FIEARN C=CCOc1ccc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc1 ZINC000018206966 570815162 /nfs/dbraw/zinc/81/51/62/570815162.db2.gz URJCKYVEGGJHFR-SFQUDFHCSA-N 0 0 352.415 4.039 50 30 FIEARN C#CCSc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1C(C)=O ZINC000003046136 570817699 /nfs/dbraw/zinc/81/76/99/570817699.db2.gz AQJDKMAYTNSGPY-UHFFFAOYSA-N 0 0 350.365 4.399 50 30 FIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000101284960 570818283 /nfs/dbraw/zinc/81/82/83/570818283.db2.gz AMEOULMBXFNIQP-GOSISDBHSA-N 0 0 372.444 4.220 50 30 FIEARN CC[C@@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 ZINC000016334498 570854835 /nfs/dbraw/zinc/85/48/35/570854835.db2.gz HRCTYXHKZIAOEA-GOSISDBHSA-N 0 0 361.401 4.150 50 30 FIEARN C#CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000016408285 570855911 /nfs/dbraw/zinc/85/59/11/570855911.db2.gz LMSMUQWMZSFBED-JXMROGBWSA-N 0 0 366.413 4.011 50 30 FIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000018244447 570877517 /nfs/dbraw/zinc/87/75/17/570877517.db2.gz ABVZXJOLTMVWMG-HXUWFJFHSA-N 0 0 350.418 4.443 50 30 FIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000019087736 570880283 /nfs/dbraw/zinc/88/02/83/570880283.db2.gz OFULCNJVSHETTM-KRWDZBQOSA-N 0 0 353.805 4.104 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000019536417 570892061 /nfs/dbraw/zinc/89/20/61/570892061.db2.gz HOLYIDAAZZBEMD-FQEVSTJZSA-N 0 0 368.477 4.029 50 30 FIEARN O=C(C=CNc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000044842711 570901321 /nfs/dbraw/zinc/90/13/21/570901321.db2.gz FYBFQWKGAPBWME-VOTSOKGWSA-N 0 0 351.280 4.122 50 30 FIEARN C#CCSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000045952104 570916582 /nfs/dbraw/zinc/91/65/82/570916582.db2.gz YIPKHFJMCPTIJX-UHFFFAOYSA-N 0 0 370.275 4.422 50 30 FIEARN Cc1cccc(NC(=NC(=O)c2cccc(C)c2)NCc2cccnc2)c1 ZINC000046127670 570927195 /nfs/dbraw/zinc/92/71/95/570927195.db2.gz ZEAPIEXSZXYDBF-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN N#C[C@@H]1C(=O)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 ZINC000023157196 570957863 /nfs/dbraw/zinc/95/78/63/570957863.db2.gz BIPQNHCVEWTGLL-ZBFHGGJFSA-N 0 0 364.474 4.091 50 30 FIEARN CCOc1cc(N[C@H](C)C#N)c(OCC)cc1NC(=O)c1ccccc1 ZINC000024162107 570972044 /nfs/dbraw/zinc/97/20/44/570972044.db2.gz 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C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000016310817 203857671 /nfs/dbraw/zinc/85/76/71/203857671.db2.gz ZWSKUUHTGMUOMW-OAHLLOKOSA-N 0 0 354.475 4.030 50 30 FIEARN C=CCN(CC=C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000014953332 203858628 /nfs/dbraw/zinc/85/86/28/203858628.db2.gz SBXSCHRPPJGZQJ-UHFFFAOYSA-N 0 0 350.393 4.372 50 30 FIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000029206787 203870376 /nfs/dbraw/zinc/87/03/76/203870376.db2.gz MSBJXSKPHIENIZ-JWTNVVGKSA-N 0 0 363.482 4.482 50 30 FIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 ZINC000009305595 203923268 /nfs/dbraw/zinc/92/32/68/203923268.db2.gz MFABMUPEJXHTJP-WQRHYEAKSA-N 0 0 352.386 4.263 50 30 biogenic FIEARN N#Cc1ccc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000001402920 204004380 /nfs/dbraw/zinc/00/43/80/204004380.db2.gz WITWYIVSSLUIGR-UHFFFAOYSA-N 0 0 354.331 4.454 50 30 FIEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000001932427 204021859 /nfs/dbraw/zinc/02/18/59/204021859.db2.gz 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O=C(c1ccccc1C(F)(F)F)N1CCS/C1=N\Cc1ccccc1 ZINC000002635829 204048035 /nfs/dbraw/zinc/04/80/35/204048035.db2.gz CWBWPXAZNDYDIB-XLNRJJMWSA-N 0 0 364.392 4.451 50 30 FIEARN N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002766687 204055692 /nfs/dbraw/zinc/05/56/92/204055692.db2.gz BPPKYAWKHFCYBX-RYUDHWBXSA-N 0 0 371.160 4.178 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000003905772 204115359 /nfs/dbraw/zinc/11/53/59/204115359.db2.gz MBMRHTHVACFMKN-NRFANRHFSA-N 0 0 365.473 4.449 50 30 FIEARN Oc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000004017530 204117858 /nfs/dbraw/zinc/11/78/58/204117858.db2.gz NTQRIKNQVQNTLL-HZHRSRAPSA-N 0 0 367.412 4.357 50 30 FIEARN N#Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000003359398 204094642 /nfs/dbraw/zinc/09/46/42/204094642.db2.gz YTMVABRXDCGROE-UHFFFAOYSA-N 0 0 368.436 4.189 50 30 FIEARN COc1cc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC#N ZINC000003360378 204095722 /nfs/dbraw/zinc/09/57/22/204095722.db2.gz 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204138862 /nfs/dbraw/zinc/13/88/62/204138862.db2.gz UTEFHJHKKGWFBP-AWEZNQCLSA-N 0 0 360.508 4.110 50 30 FIEARN CCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000004436183 204138983 /nfs/dbraw/zinc/13/89/83/204138983.db2.gz ZWTQGPGLDYDRRX-OAHLLOKOSA-N 0 0 360.870 4.066 50 30 FIEARN Oc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000005649378 204219922 /nfs/dbraw/zinc/21/99/22/204219922.db2.gz BKKCNGXHXBGRNZ-QGMBQPNBSA-N 0 0 365.245 4.128 50 30 FIEARN C/C(=N\OCc1cccc(C(F)(F)F)c1)c1sc2ncnn2c1C ZINC000005533977 204213330 /nfs/dbraw/zinc/21/33/30/204213330.db2.gz LNPGNNZGDJIDMU-ZVBGSRNCSA-N 0 0 354.357 4.059 50 30 FIEARN O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000005593932 204217375 /nfs/dbraw/zinc/21/73/75/204217375.db2.gz YTINGRSICPDNLG-CYBMUJFWSA-N 0 0 351.258 4.455 50 30 FIEARN CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000004916144 204175544 /nfs/dbraw/zinc/17/55/44/204175544.db2.gz SDEWVBYMLBVFSO-CVEARBPZSA-N 0 0 351.471 4.315 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1 ZINC000004918856 204175963 /nfs/dbraw/zinc/17/59/63/204175963.db2.gz AWRCGTJTUWYUEF-QFBILLFUSA-N 0 0 356.443 4.076 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(F)c1 ZINC000004919169 204176665 /nfs/dbraw/zinc/17/66/65/204176665.db2.gz QCGHJAJBYGGGBW-PZJWPPBQSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC ZINC000004919988 204177127 /nfs/dbraw/zinc/17/71/27/204177127.db2.gz AFLZQWWRXPVFGB-DENIHFKCSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC ZINC000004919992 204177187 /nfs/dbraw/zinc/17/71/87/204177187.db2.gz AFLZQWWRXPVFGB-KNQAVFIVSA-N 0 0 364.441 4.323 50 30 FIEARN C[C@@H](C#N)Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000004986050 204183201 /nfs/dbraw/zinc/18/32/01/204183201.db2.gz QLWJJACOPOJCFU-LBPRGKRZSA-N 0 0 374.853 4.156 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000005050674 204188517 /nfs/dbraw/zinc/18/85/17/204188517.db2.gz BQTZZVQXOYVTDL-KDWIEBRMSA-N 0 0 364.426 4.205 50 30 FIEARN CCn1c2ccccc2c2cc(/N=C/c3c(O)c(C)ncc3CO)ccc21 ZINC000005110588 204191347 /nfs/dbraw/zinc/19/13/47/204191347.db2.gz VJCNXIWXRMJNOX-WYMPLXKRSA-N 0 0 359.429 4.466 50 30 FIEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000005091908 204191900 /nfs/dbraw/zinc/19/19/00/204191900.db2.gz YHJDCWDKXVQGJK-AQNXPRMDSA-N 0 0 371.440 4.296 50 30 FIEARN COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCC#N ZINC000005155789 204194183 /nfs/dbraw/zinc/19/41/83/204194183.db2.gz JZJZDFRLKJRKND-VMPITWQZSA-N 0 0 361.357 4.224 50 30 aggregator FIEARN CO/N=C1\CC(C)(C)Cc2nnc(-c3ccc(Br)cc3)cc21 ZINC000005191009 204196557 /nfs/dbraw/zinc/19/65/57/204196557.db2.gz HLQNJCGTBIPPCA-LTGZKZEYSA-N 0 0 360.255 4.229 50 30 FIEARN CCC[C@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/O)C1 ZINC000005194086 204196717 /nfs/dbraw/zinc/19/67/17/204196717.db2.gz WLPLAFLTSSMRAN-CRPJYIMTSA-N 0 0 360.255 4.447 50 30 FIEARN CC1=C[C@H](C)[C@H](/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)[C@H](C)C1 ZINC000005277610 204201239 /nfs/dbraw/zinc/20/12/39/204201239.db2.gz PNOVVDRHHMKFHS-IYWJKYABSA-N 0 0 352.413 4.089 50 30 FIEARN C=C(C)C/N=C1\NN=C(c2cc(C)n(-c3ccc(C)cc3)c2C)CS1 ZINC000005693752 204221112 /nfs/dbraw/zinc/22/11/12/204221112.db2.gz POAIITJVVWBROG-UHFFFAOYSA-N 0 0 352.507 4.375 50 30 FIEARN CCOc1cccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)c1 ZINC000005791139 204225501 /nfs/dbraw/zinc/22/55/01/204225501.db2.gz APSOZTSOPIMQGU-ADCWSOHQSA-N 0 0 350.447 4.180 50 30 FIEARN O=C1CCCC2=C1[C@H](c1ccccc1)N=C(Nc1nc3ccccc3s1)N2 ZINC000005905747 204230000 /nfs/dbraw/zinc/23/00/00/204230000.db2.gz CWFGBBULVRSUQG-IBGZPJMESA-N 0 0 374.469 4.416 50 30 FIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000005959258 204232437 /nfs/dbraw/zinc/23/24/37/204232437.db2.gz YFOVNVVJRKUFNU-YBFXNURJSA-N 0 0 358.854 4.168 50 30 FIEARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006046302 204234627 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COc1ccc2occ(CC(=O)Nc3sc4c(c3C#N)CCCC4)c2c1 ZINC000006746667 204266190 /nfs/dbraw/zinc/26/61/90/204266190.db2.gz AKSBDUAEKCJKIQ-UHFFFAOYSA-N 0 0 366.442 4.435 50 30 FIEARN Cc1ccc(-c2csc3ncn(Cc4cccc(C#N)c4)c(=O)c23)s1 ZINC000007671964 204301365 /nfs/dbraw/zinc/30/13/65/204301365.db2.gz DGNIQBPVTOSUNX-UHFFFAOYSA-N 0 0 363.467 4.415 50 30 FIEARN COc1cc(C#N)ccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000008063489 204317105 /nfs/dbraw/zinc/31/71/05/204317105.db2.gz WJVPPNAMYLEKIU-UHFFFAOYSA-N 0 0 354.369 4.364 50 30 FIEARN N#Cc1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000008158092 204320481 /nfs/dbraw/zinc/32/04/81/204320481.db2.gz KPYBUGFMTZLIIB-UHFFFAOYSA-N 0 0 358.397 4.268 50 30 FIEARN N#Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000008392021 204330323 /nfs/dbraw/zinc/33/03/23/204330323.db2.gz GVEBZZMYFJGQCX-MDZDMXLPSA-N 0 0 357.413 4.119 50 30 FIEARN COc1cccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)c1 ZINC000008494511 204332465 /nfs/dbraw/zinc/33/24/65/204332465.db2.gz UMPWWJUCEUVZRH-MDZDMXLPSA-N 0 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C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533701 518358090 /nfs/dbraw/zinc/35/80/90/518358090.db2.gz AIBWHDYZKNWYQQ-NENAYYCWSA-N 0 0 354.490 4.453 50 30 FIEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000002234699 534368969 /nfs/dbraw/zinc/36/89/69/534368969.db2.gz OQCMDMCOHAJBAT-UHFFFAOYSA-N 0 0 363.505 4.487 50 30 FIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccc2O)cc1 ZINC000239235811 519009593 /nfs/dbraw/zinc/00/95/93/519009593.db2.gz WTRXHZVUNGAFEX-UHFFFAOYSA-N 0 0 352.463 4.119 50 30 FIEARN C=CCOc1cccc(-c2nc(C(=O)N(C)Cc3ccco3)cs2)c1 ZINC000034717383 519051770 /nfs/dbraw/zinc/05/17/70/519051770.db2.gz HMYXWVGHLGORSK-UHFFFAOYSA-N 0 0 354.431 4.240 50 30 FIEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@H]1CCCCC1=O ZINC000003263054 519185326 /nfs/dbraw/zinc/18/53/26/519185326.db2.gz RWTTZZMUSXZWCH-SFHVURJKSA-N 0 0 371.506 4.209 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1C ZINC000001112951 519223383 /nfs/dbraw/zinc/22/33/83/519223383.db2.gz JEGXKCICMXRUID-UHFFFAOYSA-N 0 0 364.474 4.170 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cc1 ZINC000014082388 519224286 /nfs/dbraw/zinc/22/42/86/519224286.db2.gz FVALRWRWOBGICS-UHFFFAOYSA-N 0 0 364.474 4.170 50 30 FIEARN C=CCn1c(SCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 ZINC000004936656 519243693 /nfs/dbraw/zinc/24/36/93/519243693.db2.gz UQQLXZTZUHKSIX-GOSISDBHSA-N 0 0 365.458 4.269 50 30 FIEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001218059 519244411 /nfs/dbraw/zinc/24/44/11/519244411.db2.gz XPEAVEOFVUQIBE-UHFFFAOYSA-N 0 0 352.419 4.332 50 30 FIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C ZINC000006911446 519251448 /nfs/dbraw/zinc/25/14/48/519251448.db2.gz SMUCIMMLOWBERP-AWEZNQCLSA-N 0 0 368.462 4.152 50 30 FIEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)C(C)(C)C ZINC000100874356 519260861 /nfs/dbraw/zinc/26/08/61/519260861.db2.gz WEPHFHINSHBTGY-VKAVYKQESA-N 0 0 353.285 4.125 50 30 FIEARN CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)C1(C)C ZINC000240333701 519443622 /nfs/dbraw/zinc/44/36/22/519443622.db2.gz FETWSOLLTYUYNX-LZWOXQAQSA-N 0 0 369.852 4.403 50 30 FIEARN CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 ZINC000003353473 519444377 /nfs/dbraw/zinc/44/43/77/519444377.db2.gz FWHDTJUFUKLAES-MRXNPFEDSA-N 0 0 363.461 4.228 50 30 FIEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000254835678 519756966 /nfs/dbraw/zinc/75/69/66/519756966.db2.gz NHUDOBXYMZWEFY-PQELXKSKSA-N 0 0 372.505 4.265 50 30 FIEARN CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000254504906 519757266 /nfs/dbraw/zinc/75/72/66/519757266.db2.gz IWRPVTXREVYBHT-BWTXDCIASA-N 0 0 372.505 4.265 50 30 FIEARN CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]21 ZINC000254504907 519758060 /nfs/dbraw/zinc/75/80/60/519758060.db2.gz IWRPVTXREVYBHT-QKSXVSAESA-N 0 0 372.505 4.265 50 30 FIEARN CC(=O)Oc1ccccc1C(=O)Oc1ccc(C=NNc2ccccc2)cc1 ZINC000004409068 519759813 /nfs/dbraw/zinc/75/98/13/519759813.db2.gz HUMDLBWZBZNVAZ-HZHRSRAPSA-N 0 0 374.396 4.277 50 30 FIEARN CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccccc1 ZINC000015281084 519841170 /nfs/dbraw/zinc/84/11/70/519841170.db2.gz QKLYFHYNQAEVPX-UHFFFAOYSA-N 0 0 353.466 4.209 50 30 FIEARN CCCCCCCC(=O)Oc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000002024030 519965406 /nfs/dbraw/zinc/96/54/06/519965406.db2.gz YIFZDITWVHVXPV-UHFFFAOYSA-N 0 0 361.467 4.365 50 30 biogenic FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccs1 ZINC000004919333 521276782 /nfs/dbraw/zinc/27/67/82/521276782.db2.gz ZTBROBNFCNPTCZ-VQIMIIECSA-N 0 0 356.443 4.076 50 30 FIEARN CCOc1ccccc1[C@H](O)[C@@H](C#N)Sc1nc2ccccc2s1 ZINC000004943973 521588899 /nfs/dbraw/zinc/58/88/99/521588899.db2.gz WVMUWPXNOOIZBT-SJORKVTESA-N 0 0 356.472 4.413 50 30 FIEARN CCc1ccccc1NC(=S)N/N=C/c1ccc2c(c1)CCCN2CC ZINC000003036805 521909648 /nfs/dbraw/zinc/90/96/48/521909648.db2.gz DLYPTHDGMNLRPS-PXLXIMEGSA-N 0 0 366.534 4.342 50 30 FIEARN COc1cc(/C=C\C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1OCC#N ZINC000096117672 521979925 /nfs/dbraw/zinc/97/99/25/521979925.db2.gz XJOTWVCGVUKTEU-IUCKJTJTSA-N 0 0 370.836 4.142 50 30 FIEARN CN(CC(=O)NCCc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000082120968 522403567 /nfs/dbraw/zinc/40/35/67/522403567.db2.gz JGOCEEJALBKFOI-UHFFFAOYSA-N 0 0 350.384 4.336 50 30 FIEARN COc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1OC ZINC000005670979 523159108 /nfs/dbraw/zinc/15/91/08/523159108.db2.gz ZAIWUNYRSRGFKW-KEBDBYFISA-N 0 0 373.865 4.349 50 30 FIEARN CN(Cc1cccc(C#N)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000225520629 523295919 /nfs/dbraw/zinc/29/59/19/523295919.db2.gz PXTQFMUSTPVFET-UHFFFAOYSA-N 0 0 356.429 4.089 50 30 FIEARN COc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3[nH]2)cc1 ZINC000033752738 523536012 /nfs/dbraw/zinc/53/60/12/523536012.db2.gz HUZYBKGICRJLCF-AQTBWJFISA-N 0 0 355.397 4.390 50 30 FIEARN COc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)c(F)c1 ZINC000034896101 523544760 /nfs/dbraw/zinc/54/47/60/523544760.db2.gz YHGGEBHUCVBYEV-CLTKARDFSA-N 0 0 352.308 4.340 50 30 FIEARN CCn1ccnc1Cn1ccc(-c2cccc(-c3ccccc3C#N)c2)n1 ZINC000020859159 523547254 /nfs/dbraw/zinc/54/72/54/523547254.db2.gz OJTREFNKOLPIPE-UHFFFAOYSA-N 0 0 353.429 4.353 50 30 FIEARN COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000002843387 523772142 /nfs/dbraw/zinc/77/21/42/523772142.db2.gz LWSLAIKOASSAJY-UHFFFAOYSA-N 0 0 374.352 4.193 50 30 FIEARN CN(C(=O)CSC1=Nc2ccccc2CS1)C1(C#N)CCCCC1 ZINC000016047277 523836940 /nfs/dbraw/zinc/83/69/40/523836940.db2.gz ZXUGGVIACJTKKN-UHFFFAOYSA-N 0 0 359.520 4.339 50 30 FIEARN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC#N)cc3)S2)cc1 ZINC000005127003 523994897 /nfs/dbraw/zinc/99/48/97/523994897.db2.gz OKBORWSJRTYGBH-QGOAFFKASA-N 0 0 363.442 4.234 50 30 FIEARN COc1ccccc1/C=C/C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000245231342 524316131 /nfs/dbraw/zinc/31/61/31/524316131.db2.gz BTWGXXKULYPJSW-DPHBVSPUSA-N 0 0 369.896 4.165 50 30 FIEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000244900236 525983259 /nfs/dbraw/zinc/98/32/59/525983259.db2.gz ZYJXRYCSFXRJCR-UHFFFAOYSA-N 0 0 360.895 4.491 50 30 FIEARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000036396313 526037696 /nfs/dbraw/zinc/03/76/96/526037696.db2.gz VHDVSVWGAABSPJ-QGZVFWFLSA-N 0 0 361.445 4.372 50 30 FIEARN Cc1ccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1 ZINC000032942962 526236953 /nfs/dbraw/zinc/23/69/53/526236953.db2.gz ZYXBFGXVKGAQRZ-WQRHYEAKSA-N 0 0 355.459 4.094 50 30 FIEARN N#CC(=NNc1ccccc1Cl)C(=O)c1ccccc1OC(F)(F)F ZINC000003138456 526428861 /nfs/dbraw/zinc/42/88/61/526428861.db2.gz UNFNHPPWRCHVAI-YDZHTSKRSA-N 0 0 367.714 4.413 50 30 FIEARN N#CCCCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2 ZINC000032667928 526445722 /nfs/dbraw/zinc/44/57/22/526445722.db2.gz UXQWSVPGBDDOAW-UHFFFAOYSA-N 0 0 360.479 4.216 50 30 FIEARN N#Cc1c(N)n(-c2ccc(N3CCCCC3)cc2)c2nc3ccccc3nc12 ZINC000000636348 526526228 /nfs/dbraw/zinc/52/62/28/526526228.db2.gz LAIXJEBGHVVMNJ-UHFFFAOYSA-N 0 0 368.444 4.018 50 30 FIEARN NC(=NOCc1ccc(Cl)cc1)c1cccc(OCc2cccnc2)c1 ZINC000060197497 526805173 /nfs/dbraw/zinc/80/51/73/526805173.db2.gz RBELHPJGWMYXFQ-UHFFFAOYSA-N 0 0 367.836 4.151 50 30 FIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=N)c1cccc(C)c1 ZINC000004200267 526850272 /nfs/dbraw/zinc/85/02/72/526850272.db2.gz HHCWSDNHWDHCPP-UHFFFAOYSA-N 0 0 369.808 4.089 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1cccc(O)c1)CC(=O)O3 ZINC000253413889 527125317 /nfs/dbraw/zinc/12/53/17/527125317.db2.gz VXPSNLRVOZLKOG-LTKMBJGESA-N 0 0 374.348 4.042 50 30 biogenic FIEARN CC1(C#N)CC[NH+](Cc2cc(-c3ccsc3)ccc2OCC(=O)[O-])CC1 ZINC000215260335 568060544 /nfs/dbraw/zinc/06/05/44/568060544.db2.gz ODZOTZIFKXFFCH-UHFFFAOYSA-N 0 0 370.474 4.004 50 30 FIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCCCC2 ZINC000000663175 568063886 /nfs/dbraw/zinc/06/38/86/568063886.db2.gz NWDQODLYJSSPHK-UHFFFAOYSA-N 0 0 355.438 4.092 50 30 FIEARN COc1ccc(C=CC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000000712888 568123740 /nfs/dbraw/zinc/12/37/40/568123740.db2.gz MOJZHZLCHIGRNF-HKMNZKMDSA-N 0 0 350.336 4.118 50 30 biogenic FIEARN CCOc1ccc(CSc2nc(C)cc(COC)c2C#N)cc1OCC ZINC000000719049 568130508 /nfs/dbraw/zinc/13/05/08/568130508.db2.gz PJCLMZQYWZPLPN-UHFFFAOYSA-N 0 0 372.490 4.498 50 30 FIEARN N#Cc1ccc(Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000777997 568198184 /nfs/dbraw/zinc/19/81/84/568198184.db2.gz MSRXAYXRRHOZMQ-UHFFFAOYSA-N 0 0 360.325 4.478 50 30 FIEARN Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)c1 ZINC000000782898 568215909 /nfs/dbraw/zinc/21/59/09/568215909.db2.gz IHFUQCLDRXJHPG-UHFFFAOYSA-N 0 0 360.866 4.396 50 30 FIEARN O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095708016 570470956 /nfs/dbraw/zinc/47/09/56/570470956.db2.gz GRVMOMUDALILLH-UHFFFAOYSA-N 0 0 366.048 4.221 50 30 FIEARN N#CCc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000011621045 570484616 /nfs/dbraw/zinc/48/46/16/570484616.db2.gz IUBYRZGZHBTTHB-UHFFFAOYSA-N 0 0 368.868 4.057 50 30 FIEARN O=C1c2ccccc2C=CC1=NN=c1ccc2ccc3cccnc3c2[nH]1 ZINC000100436005 570504243 /nfs/dbraw/zinc/50/42/43/570504243.db2.gz URPCJHZCRJJDRE-BWAHOGKJSA-N 0 0 350.381 4.461 50 30 FIEARN Cc1nc(N)sc1-c1cc(-c2cc(F)cc(Cl)c2)c(C#N)c(N)n1 ZINC000071755324 570511432 /nfs/dbraw/zinc/51/14/32/570511432.db2.gz PYRDUQOLNGYBBZ-UHFFFAOYSA-N 0 0 359.817 4.009 50 30 FIEARN CSc1nc(C2CC2)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N ZINC000014086839 570514410 /nfs/dbraw/zinc/51/44/10/570514410.db2.gz VHLDMHSRZXLYRB-UHFFFAOYSA-N 0 0 367.518 4.251 50 30 FIEARN COc1ccc(C=C(C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc1 ZINC000033394304 570521029 /nfs/dbraw/zinc/52/10/29/570521029.db2.gz PPYSTNMWJLRWGP-ZHZULCJRSA-N 0 0 359.425 4.424 50 30 FIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@H](C(C)C)OC3 ZINC000004857759 570551925 /nfs/dbraw/zinc/55/19/25/570551925.db2.gz NMSUPBGQPYEVRN-CYBMUJFWSA-N 0 0 362.520 4.019 50 30 FIEARN COc1cccc(-c2csc(C(C#N)=NNc3ccc(F)cc3)n2)c1 ZINC000005024162 570575860 /nfs/dbraw/zinc/57/58/60/570575860.db2.gz ZUIQLQQYMNXFFA-KQWNVCNZSA-N 0 0 352.394 4.298 50 30 FIEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(C)cc1 ZINC000245241630 570610878 /nfs/dbraw/zinc/61/08/78/570610878.db2.gz LOFDWLBWXYICSC-SVDASAMWSA-N 0 0 350.447 4.098 50 30 FIEARN Cc1cc(Br)cc2c1N(C)C(=O)/C2=C\C(=O)c1cccs1 ZINC000005013585 570618372 /nfs/dbraw/zinc/61/83/72/570618372.db2.gz UYTWLHVVZDJVDJ-WQLSENKSSA-N 0 0 362.248 4.062 50 30 FIEARN COc1ccccc1N1CCN(/N=C\c2c(Cl)cccc2Cl)CC1 ZINC000005058992 570620007 /nfs/dbraw/zinc/62/00/07/570620007.db2.gz OGCZLJAWGBAZRJ-BKUYFWCQSA-N 0 0 364.276 4.158 50 30 FIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1 ZINC000024284021 570626491 /nfs/dbraw/zinc/62/64/91/570626491.db2.gz FANFRWQQXGPHHW-RYUDHWBXSA-N 0 0 371.428 4.162 50 30 FIEARN COc1cc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C=C4C)cc(OC)c1 ZINC000012406244 570742615 /nfs/dbraw/zinc/74/26/15/570742615.db2.gz OOJHZIAXJAOQHS-FCDQGJHFSA-N 0 0 362.429 4.367 50 30 FIEARN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1 ZINC000012436532 570745264 /nfs/dbraw/zinc/74/52/64/570745264.db2.gz OXJRAKCTMRITHZ-BZZOAKBMSA-N 0 0 367.452 4.170 50 30 FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccccc1F ZINC000004339583 570749846 /nfs/dbraw/zinc/74/98/46/570749846.db2.gz TZHUBFHXUMKDOA-UNOMPAQXSA-N 0 0 353.393 4.133 50 30 FIEARN Cc1ccc(NC(=NS(=O)(=O)c2cccs2)c2ccccc2)cc1F ZINC000012602007 570753519 /nfs/dbraw/zinc/75/35/19/570753519.db2.gz MYQYEMWMPGIKAU-UHFFFAOYSA-N 0 0 374.462 4.443 50 30 FIEARN Oc1ccc(Br)cc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 ZINC000013563792 570779378 /nfs/dbraw/zinc/77/93/78/570779378.db2.gz IUTUYKAZMWANOF-FZWIEUJTSA-N 0 0 357.211 4.484 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000101500060 570820810 /nfs/dbraw/zinc/82/08/10/570820810.db2.gz YJHKJCCEYURVPF-FPLPWBNLSA-N 0 0 362.769 4.074 50 30 FIEARN C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OCC ZINC000004543768 570822558 /nfs/dbraw/zinc/82/25/58/570822558.db2.gz LXBQPJSGDMFAHA-XSFVSMFZSA-N 0 0 374.440 4.212 50 30 FIEARN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000044842503 570901123 /nfs/dbraw/zinc/90/11/23/570901123.db2.gz ZWPLOTIAPJYERS-OUKQBFOZSA-N 0 0 371.392 4.455 50 30 FIEARN COC(=O)c1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044843445 570901691 /nfs/dbraw/zinc/90/16/91/570901691.db2.gz PZUZHALVWUVVNM-MDZDMXLPSA-N 0 0 360.207 4.044 50 30 FIEARN CC(=[NH+]C1CC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000108114077 570903137 /nfs/dbraw/zinc/90/31/37/570903137.db2.gz RJWIKMXFMCOOGB-XKZIYDEJSA-N 0 0 374.469 4.414 50 30 FIEARN O=C(CN1CCCC1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000049640534 570964705 /nfs/dbraw/zinc/96/47/05/570964705.db2.gz BCDNVFMAKKJCSP-UHFFFAOYSA-N 0 0 369.412 4.437 50 30 FIEARN N#CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000025578149 570997401 /nfs/dbraw/zinc/99/74/01/570997401.db2.gz PVLRRKWPDSQQBM-QGOAFFKASA-N 0 0 364.426 4.216 50 30 FIEARN CC(=O)Nc1sc(N=NCc2ccccc2)nc1-c1ccc(F)cc1 ZINC000027020935 571009768 /nfs/dbraw/zinc/00/97/68/571009768.db2.gz XALWLSARCGSCHR-RGVLZGJSSA-N 0 0 354.410 4.354 50 30 FIEARN CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2cc(Br)ccc21 ZINC000035605880 571077661 /nfs/dbraw/zinc/07/76/61/571077661.db2.gz MGKRJEHVQMHKNZ-UHFFFAOYSA-N 0 0 363.211 4.283 50 30 FIEARN CO[P@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 ZINC000001310225 571048561 /nfs/dbraw/zinc/04/85/61/571048561.db2.gz KZALOBXNUSOFOH-HRAATJIYSA-N 0 0 365.163 4.374 50 30 FIEARN CO[P@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 ZINC000001310227 571048580 /nfs/dbraw/zinc/04/85/80/571048580.db2.gz KZALOBXNUSOFOH-IIBYNOLFSA-N 0 0 365.163 4.374 50 30 FIEARN C=CCOc1cccc(CN(CC)C(=O)c2c(C)[nH]c3c2C(=O)CCC3)c1 ZINC000055053443 571057702 /nfs/dbraw/zinc/05/77/02/571057702.db2.gz DAZVFXODAYTZAG-UHFFFAOYSA-N 0 0 366.461 4.069 50 30 FIEARN C=CCN(Cc1ccccc1F)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000058192705 571062627 /nfs/dbraw/zinc/06/26/27/571062627.db2.gz PZNCMXGJABDDTN-UHFFFAOYSA-N 0 0 371.437 4.085 50 30 FIEARN CO[C@@](F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100008354 571069315 /nfs/dbraw/zinc/06/93/15/571069315.db2.gz 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ZINC000005271392 204200453 /nfs/dbraw/zinc/20/04/53/204200453.db2.gz RFAGPWSEAWJPGS-IERDGZPVSA-N 0 0 356.429 4.002 50 30 FIEARN CO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000005719835 204222064 /nfs/dbraw/zinc/22/20/64/204222064.db2.gz LTBQJSHMSNTUKE-QNGOZBTKSA-N 0 0 371.651 4.427 50 30 FIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005959267 204232069 /nfs/dbraw/zinc/23/20/69/204232069.db2.gz DXEVMFQTSJLAGK-YBFXNURJSA-N 0 0 358.854 4.168 50 30 FIEARN COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c(F)c1 ZINC000006049112 204234826 /nfs/dbraw/zinc/23/48/26/204234826.db2.gz YHGGEBHUCVBYEV-XVNBXDOJSA-N 0 0 352.308 4.340 50 30 FIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2c(F)cccc2Cl)cc1 ZINC000006083890 204236020 /nfs/dbraw/zinc/23/60/20/204236020.db2.gz GWGSZFRLDGTYCC-UFWORHAWSA-N 0 0 350.781 4.048 50 30 FIEARN CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 ZINC000006085327 204236391 /nfs/dbraw/zinc/23/63/91/204236391.db2.gz KTBKPIUXVKIVDL-UHFFFAOYSA-N 0 0 369.424 4.083 50 30 FIEARN N#Cc1ccc(-c2ccccc2)nc1SCc1nc2ccccc2[nH]c1=O ZINC000006276974 204243937 /nfs/dbraw/zinc/24/39/37/204243937.db2.gz NGWLSSAQDVEHLG-UHFFFAOYSA-N 0 0 370.437 4.149 50 30 FIEARN CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3)c2c1C ZINC000006549058 204253327 /nfs/dbraw/zinc/25/33/27/204253327.db2.gz YOTIBZBOWWDWDX-UHFFFAOYSA-N 0 0 353.403 4.149 50 30 FIEARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nc2c1 ZINC000006908889 204281488 /nfs/dbraw/zinc/28/14/88/204281488.db2.gz IMCNQKMGIQPXAE-UHFFFAOYSA-N 0 0 356.838 4.127 50 30 FIEARN COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(C)C)c1C#N ZINC000006961410 204284964 /nfs/dbraw/zinc/28/49/64/204284964.db2.gz MIGTZLUYCQGWHQ-UHFFFAOYSA-N 0 0 369.490 4.262 50 30 FIEARN CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)/C=C/c1ccco1 ZINC000007061223 204288770 /nfs/dbraw/zinc/28/87/70/204288770.db2.gz GIBQIZVKUMHEPX-VGNAVFDMSA-N 0 0 354.475 4.246 50 30 FIEARN Cc1sc2nc(SCC#N)n(-c3ccc(C)cc3C)c(=O)c2c1C ZINC000007471328 204298618 /nfs/dbraw/zinc/29/86/18/204298618.db2.gz QHNHOWKICXHEEG-UHFFFAOYSA-N 0 0 355.488 4.297 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000006813221 204273852 /nfs/dbraw/zinc/27/38/52/204273852.db2.gz JSAUBHSWNZUTAJ-FQEVSTJZSA-N 0 0 370.408 4.173 50 30 FIEARN COc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1Br ZINC000007744095 204306041 /nfs/dbraw/zinc/30/60/41/204306041.db2.gz UDCLMRWKPCLRST-SOFGYWHQSA-N 0 0 374.234 4.312 50 30 FIEARN N#Cc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000008394751 204330409 /nfs/dbraw/zinc/33/04/09/204330409.db2.gz PGPOECRHZUHMIJ-UHFFFAOYSA-N 0 0 372.465 4.221 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000008464107 204332845 /nfs/dbraw/zinc/33/28/45/204332845.db2.gz FDCKLLAKJQNSCV-FQEVSTJZSA-N 0 0 370.408 4.173 50 30 FIEARN CNC(=S)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000008685060 204338571 /nfs/dbraw/zinc/33/85/71/204338571.db2.gz HAUKRVZDWYTRIG-UFWORHAWSA-N 0 0 355.294 4.240 50 30 FIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2)cc1 ZINC000036360259 204351335 /nfs/dbraw/zinc/35/13/35/204351335.db2.gz MRGACIGFGADFFG-IBGZPJMESA-N 0 0 373.412 4.017 50 30 FIEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C1 ZINC000009329541 204363177 /nfs/dbraw/zinc/36/31/77/204363177.db2.gz RQPISYZBHZZSAV-HRAATJIYSA-N 0 0 356.429 4.002 50 30 FIEARN COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1CC#N ZINC000009514940 204372383 /nfs/dbraw/zinc/37/23/83/204372383.db2.gz GEETWXHKTGNHHJ-UHFFFAOYSA-N 0 0 367.405 4.276 50 30 FIEARN COCCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000012418923 204460713 /nfs/dbraw/zinc/46/07/13/204460713.db2.gz ZPMYCSTWGSALNM-UHFFFAOYSA-N 0 0 373.796 4.097 50 30 FIEARN N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012871375 204504361 /nfs/dbraw/zinc/50/43/61/204504361.db2.gz OJPOHRNKXRLHRZ-UHFFFAOYSA-N 0 0 356.307 4.015 50 30 FIEARN Cc1noc2nc(C)cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c12 ZINC000013642093 204541312 /nfs/dbraw/zinc/54/13/12/204541312.db2.gz MXODBTDBDAWEPE-SECBINFHSA-N 0 0 366.446 4.150 50 30 FIEARN CCc1sc(-c2nnc(COc3ccc(C#N)cc3OC)o2)cc1C ZINC000014241650 204577449 /nfs/dbraw/zinc/57/74/49/204577449.db2.gz OIHQBDNLVULTMS-UHFFFAOYSA-N 0 0 355.419 4.128 50 30 FIEARN N#Cc1cc(C#N)c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc1N ZINC000018240460 204662416 /nfs/dbraw/zinc/66/24/16/204662416.db2.gz VXYLLGASCUHKAL-UHFFFAOYSA-N 0 0 370.437 4.049 50 30 FIEARN N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccccc3)s2)cc1 ZINC000025053506 204829360 /nfs/dbraw/zinc/82/93/60/204829360.db2.gz NIBVXFUFZSOKSI-UHFFFAOYSA-N 0 0 365.483 4.336 50 30 FIEARN N#Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 ZINC000024831299 204825613 /nfs/dbraw/zinc/82/56/13/204825613.db2.gz IJKVPFNZUQONJT-UHFFFAOYSA-N 0 0 368.396 4.037 50 30 FIEARN Cc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccccc2)C3)c(C)c1 ZINC000032985427 204950073 /nfs/dbraw/zinc/95/00/73/204950073.db2.gz LZQUBQTVLLEDNI-SFHVURJKSA-N 0 0 368.436 4.239 50 30 FIEARN COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000039360072 205045084 /nfs/dbraw/zinc/04/50/84/205045084.db2.gz SQZRTPZMKNVITG-IBGZPJMESA-N 0 0 353.418 4.245 50 30 FIEARN N#CCOc1c(C#N)n2c3ccccc3sc2c1NC(=O)c1ccccc1 ZINC000041154928 205090063 /nfs/dbraw/zinc/09/00/63/205090063.db2.gz AGLBQPPJIANYCS-UHFFFAOYSA-N 0 0 372.409 4.180 50 30 FIEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)OCO2 ZINC000049723964 205175271 /nfs/dbraw/zinc/17/52/71/205175271.db2.gz KWPKTSOJDUQOIY-UHFFFAOYSA-N 0 0 373.368 4.035 50 30 FIEARN COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1OC(C)C ZINC000085877799 205176385 /nfs/dbraw/zinc/17/63/85/205176385.db2.gz AGFQXHXKDZTEHS-PXNMLYILSA-N 0 0 368.429 4.322 50 30 biogenic FIEARN N#Cc1c(Cl)nsc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000051592334 205183745 /nfs/dbraw/zinc/18/37/45/205183745.db2.gz SCINCMWMYMOQDW-UHFFFAOYSA-N 0 0 367.305 4.034 50 30 FIEARN Cc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)cc1C ZINC000053727937 205194773 /nfs/dbraw/zinc/19/47/73/205194773.db2.gz MNLVRGUTLYWQJE-OAHLLOKOSA-N 0 0 362.458 4.185 50 30 FIEARN Cc1cc(C)c(C#N)c(SCc2nc3c4ccccc4oc3c(=O)[nH]2)n1 ZINC000061141269 205284927 /nfs/dbraw/zinc/28/49/27/205284927.db2.gz QTTOVJDHQVQGLY-UHFFFAOYSA-N 0 0 362.414 4.257 50 30 FIEARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C#N)cc1 ZINC000065114670 205317862 /nfs/dbraw/zinc/31/78/62/205317862.db2.gz GORKZXJBTYOUFS-UHFFFAOYSA-N 0 0 359.433 4.036 50 30 FIEARN COc1ccc([C@@H]2C[C@@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F ZINC000067172437 205367095 /nfs/dbraw/zinc/36/70/95/205367095.db2.gz BFTABJNOIXSNJQ-BUXKBTBVSA-N 0 0 355.344 4.122 50 30 FIEARN CN(C(=O)c1cc(Br)ccc1F)c1cc(Cl)ccc1C#N ZINC000079052882 205636960 /nfs/dbraw/zinc/63/69/60/205636960.db2.gz QRWXLHPJHGIZRM-UHFFFAOYSA-N 0 0 367.605 4.390 50 30 FIEARN CCOc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196786 220228122 /nfs/dbraw/zinc/22/81/22/220228122.db2.gz MUMNBKODPUZJJM-NRFANRHFSA-N 0 0 363.413 4.379 50 30 FIEARN COc1ccccc1[C@@H]1c2cc(OC)c(OC)cc2NC2=C1C(=O)CCC2 ZINC000018197180 220228146 /nfs/dbraw/zinc/22/81/46/220228146.db2.gz FBUAFYMQSNAHGH-OAQYLSRUSA-N 0 0 365.429 4.277 50 30 FIEARN CC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000096937251 205889266 /nfs/dbraw/zinc/88/92/66/205889266.db2.gz NDJIDSNSEMIZQS-TWGQIWQCSA-N 0 0 373.334 4.187 50 30 FIEARN Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)C1=O ZINC000107913004 206025701 /nfs/dbraw/zinc/02/57/01/206025701.db2.gz ANYSKZGJSBHZPP-TYSRPKIMSA-N 0 0 362.473 4.244 50 30 FIEARN N#Cc1cc2c(nc1SC[C@H](O)COc1ccc(Cl)cc1)CCCC2 ZINC000000911445 206139879 /nfs/dbraw/zinc/13/98/79/206139879.db2.gz JWBDQNVKXPUKNN-MRXNPFEDSA-N 0 0 374.893 4.017 50 30 FIEARN CCc1cccc(CC)c1NC(=O)CSc1nc(C)cc(C)c1C#N ZINC000000878198 206137385 /nfs/dbraw/zinc/13/73/85/206137385.db2.gz PJIXFGNHPVTDKJ-UHFFFAOYSA-N 0 0 353.491 4.426 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004119627 206167850 /nfs/dbraw/zinc/16/78/50/206167850.db2.gz GJTAIQIEXGLVBG-TZIWHRDSSA-N 0 0 368.404 4.154 50 30 FIEARN N#Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCCO3)cc1Cl ZINC000005365687 206195023 /nfs/dbraw/zinc/19/50/23/206195023.db2.gz CGVQUFRGRHABRB-UHFFFAOYSA-N 0 0 374.849 4.104 50 30 FIEARN CC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O ZINC000004954862 206185064 /nfs/dbraw/zinc/18/50/64/206185064.db2.gz LUNBIPKQPZWQIZ-UEYPFEJESA-N 0 0 357.504 4.301 50 30 FIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000006813949 206206196 /nfs/dbraw/zinc/20/61/96/206206196.db2.gz WKRAEXNKIUNLTR-IBGZPJMESA-N 0 0 359.381 4.058 50 30 FIEARN O=C(OC[C@@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1)c1ccccc1 ZINC000006222789 206200392 /nfs/dbraw/zinc/20/03/92/206200392.db2.gz NSZKHGKESHZBNP-GHIYEBNESA-N 0 0 371.502 4.300 50 30 FIEARN COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OC(F)F ZINC000006649229 206203470 /nfs/dbraw/zinc/20/34/70/206203470.db2.gz USZZVSPFTHKHFV-KRXBUXKQSA-N 0 0 359.328 4.095 50 30 FIEARN N#Cc1ccc(Cl)c(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000156084677 206222412 /nfs/dbraw/zinc/22/24/12/206222412.db2.gz VOZQBSWYYDNVBQ-UHFFFAOYSA-N 0 0 357.200 4.303 50 30 FIEARN CCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000100847943 206225216 /nfs/dbraw/zinc/22/52/16/206225216.db2.gz CLRNQVPWTWKJOC-CZIZESTLSA-N 0 0 364.898 4.126 50 30 FIEARN CNC(=O)c1ccc(/C=C2/CCSc3ccc(Cl)cc3C2=O)cc1 ZINC000170651766 206278288 /nfs/dbraw/zinc/27/82/88/206278288.db2.gz QFICMNCTAXCLDK-UVTDQMKNSA-N 0 0 357.862 4.462 50 30 FIEARN N#Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000015122366 206314737 /nfs/dbraw/zinc/31/47/37/206314737.db2.gz NRMWDHSJFRWBES-UHFFFAOYSA-N 0 0 353.731 4.281 50 30 FIEARN C=CCN(CC=C)C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002778633 206345740 /nfs/dbraw/zinc/34/57/40/206345740.db2.gz XOEFAIVHWCCNLG-UHFFFAOYSA-N 0 0 369.314 4.229 50 30 FIEARN COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC(=C(C)C)C3=O ZINC000217638442 206363623 /nfs/dbraw/zinc/36/36/23/206363623.db2.gz IHCHGNVDCGLIDK-CQSZACIVSA-N 0 0 350.370 4.005 50 30 biogenic FIEARN C#CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 ZINC000057991448 132303923 /nfs/dbraw/zinc/30/39/23/132303923.db2.gz FPJJQNOOVROZGW-JOCHJYFZSA-N 0 0 369.424 4.255 50 30 FIEARN CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC ZINC000004662538 132387012 /nfs/dbraw/zinc/38/70/12/132387012.db2.gz BMKGRDLUOVNYLS-CJLVFECKSA-N 0 0 354.450 4.071 50 30 FIEARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1 ZINC000011334576 132849606 /nfs/dbraw/zinc/84/96/06/132849606.db2.gz MGVYYAVYPADBAM-RMKNXTFCSA-N 0 0 361.363 4.438 50 30 FIEARN CCC[C@@H]1Cc2c(C#N)c(NC(=O)C(Cl)(Cl)Cl)sc2CO1 ZINC000002221416 263144985 /nfs/dbraw/zinc/14/49/85/263144985.db2.gz RJSIYBVORBSDLC-SSDOTTSWSA-N 0 0 367.685 4.170 50 30 FIEARN N#CCSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000005014704 263337995 /nfs/dbraw/zinc/33/79/95/263337995.db2.gz IWMYKEGZZCGEIK-UHFFFAOYSA-N 0 0 355.854 4.148 50 30 FIEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3C)cs2)c1C ZINC000033019254 263394616 /nfs/dbraw/zinc/39/46/16/263394616.db2.gz VKRHRZDVNQMBBE-UHFFFAOYSA-N 0 0 366.490 4.164 50 30 FIEARN C=CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000048289573 518730690 /nfs/dbraw/zinc/73/06/90/518730690.db2.gz BMJCKBFYFQXBFA-UHFFFAOYSA-N 0 0 365.433 4.030 50 30 FIEARN C=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2C/C=C\C ZINC000035927724 519063457 /nfs/dbraw/zinc/06/34/57/519063457.db2.gz XRYZPVBJQVWPEW-HYXAFXHYSA-N 0 0 350.418 4.305 50 30 FIEARN C=CCc1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)c(OC)c1 ZINC000014428563 519135864 /nfs/dbraw/zinc/13/58/64/519135864.db2.gz CYCJCQHAYWLTOM-UHFFFAOYSA-N 0 0 368.477 4.287 50 30 FIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccco1 ZINC000002391053 519213192 /nfs/dbraw/zinc/21/31/92/519213192.db2.gz UCMRVPSYDVWEPP-UHFFFAOYSA-N 0 0 368.462 4.072 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000003416726 519233929 /nfs/dbraw/zinc/23/39/29/519233929.db2.gz PZJNUTOSQAVBEG-UHFFFAOYSA-N 0 0 358.854 4.088 50 30 FIEARN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 ZINC000004357262 519242278 /nfs/dbraw/zinc/24/22/78/519242278.db2.gz JWYRAFPGEHRIGZ-UHFFFAOYSA-N 0 0 367.474 4.441 50 30 FIEARN C=CCn1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccccc1F ZINC000114708665 519259093 /nfs/dbraw/zinc/25/90/93/519259093.db2.gz BAQVHAJWMBDZGA-UHFFFAOYSA-N 0 0 371.828 4.341 50 30 FIEARN C=CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(SC)cc1 ZINC000101041574 519263105 /nfs/dbraw/zinc/26/31/05/519263105.db2.gz WVEWTXTUJSLHJV-ZZEZOPTASA-N 0 0 358.463 4.491 50 30 FIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(O)c3)c12 ZINC000008026401 519266378 /nfs/dbraw/zinc/26/63/78/519266378.db2.gz PFIRBFKSVOBALG-VAWYXSNFSA-N 0 0 357.413 4.385 50 30 FIEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(C(=O)OC)cc2)o1 ZINC000101411501 520070438 /nfs/dbraw/zinc/07/04/38/520070438.db2.gz NTQDESDJEYBOET-HYARGMPZSA-N 0 0 368.437 4.292 50 30 FIEARN CCOc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1CN1CCOCC1 ZINC000096814738 520871853 /nfs/dbraw/zinc/87/18/53/520871853.db2.gz MPVVQFBSOTVRTR-NTMALXAHSA-N 0 0 365.473 4.122 50 30 FIEARN C=C[C@@H]1CCCCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000225605489 534560488 /nfs/dbraw/zinc/56/04/88/534560488.db2.gz PGWDRSHXGDBLGD-CYBMUJFWSA-N 0 0 350.249 4.084 50 30 FIEARN CCOc1ccccc1[C@@H](O)[C@@H](C#N)Sc1nc2ccccc2s1 ZINC000004943974 521579587 /nfs/dbraw/zinc/57/95/87/521579587.db2.gz WVMUWPXNOOIZBT-IAGOWNOFSA-N 0 0 356.472 4.413 50 30 FIEARN COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1O ZINC000007909575 522050602 /nfs/dbraw/zinc/05/06/02/522050602.db2.gz GQCCVADTFZAZLP-PKNBQFBNSA-N 0 0 366.392 4.239 50 30 FIEARN COc1cc(C(=O)/C=C/c2cc(Br)ccc2OC)ccc1O ZINC000013137337 522050766 /nfs/dbraw/zinc/05/07/66/522050766.db2.gz WNRAXLSKKWHESB-GQCTYLIASA-N 0 0 363.207 4.068 50 30 FIEARN COc1ccc(/C=C/C(=O)c2ccccc2)cc1Cn1nnc2ccccc21 ZINC000004836807 523403362 /nfs/dbraw/zinc/40/33/62/523403362.db2.gz TWOMASWBGWYCSC-ACCUITESSA-N 0 0 369.424 4.384 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1c(F)cccc1F ZINC000018118619 524034400 /nfs/dbraw/zinc/03/44/00/524034400.db2.gz ZXMILPHPLOGUQF-WQRHYEAKSA-N 0 0 371.383 4.002 50 30 FIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C(C)(C)C)[nH]1 ZINC000032883981 524035006 /nfs/dbraw/zinc/03/50/06/524035006.db2.gz MNUHMAUOZFAJMT-LFIBNONCSA-N 0 0 370.522 4.075 50 30 FIEARN COc1ccc(NC(=NS(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000012524674 524377637 /nfs/dbraw/zinc/37/76/37/524377637.db2.gz JJQSERSIPAHMRG-UHFFFAOYSA-N 0 0 372.471 4.004 50 30 FIEARN COc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1OC ZINC000005578880 524379643 /nfs/dbraw/zinc/37/96/43/524379643.db2.gz DTBUGEQIDMRDPR-MDZDMXLPSA-N 0 0 362.223 4.275 50 30 FIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3cccs3)n2C)cc1 ZINC000008428818 524670490 /nfs/dbraw/zinc/67/04/90/524670490.db2.gz AQNXTPUBNHVWGX-MRXNPFEDSA-N 0 0 354.504 4.003 50 30 FIEARN Cc1cc(N(CCO)CCC#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000004774780 525033789 /nfs/dbraw/zinc/03/37/89/525033789.db2.gz PIBTYZGGTBGGCN-QZQOTICOSA-N 0 0 353.382 4.031 50 30 FIEARN Cc1c(C#N)c2ccccc2n1CC(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000000638295 525532604 /nfs/dbraw/zinc/53/26/04/525532604.db2.gz RWTCFIAKFYAXGA-AWEZNQCLSA-N 0 0 361.420 4.328 50 30 FIEARN COc1cccc(-c2nnc(SCCCC#N)n2-c2ccccc2)c1 ZINC000006787352 525733893 /nfs/dbraw/zinc/73/38/93/525733893.db2.gz DOVWQZKJVSSGTG-UHFFFAOYSA-N 0 0 350.447 4.339 50 30 FIEARN CSc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000238937472 525982304 /nfs/dbraw/zinc/98/23/04/525982304.db2.gz VSPYOMHNIGPCBZ-UHFFFAOYSA-N 0 0 359.926 4.214 50 30 FIEARN CCCN1CCCc2cc(/C=N/NC(=S)Nc3cccc(C)c3)ccc21 ZINC000003053140 534914201 /nfs/dbraw/zinc/91/42/01/534914201.db2.gz PSQNCJSFSZLORF-PXLXIMEGSA-N 0 0 366.534 4.478 50 30 FIEARN S=c1[nH]nc(NN=Cc2ccccc2OCc2ccccc2Cl)[nH]1 ZINC000035657501 526389213 /nfs/dbraw/zinc/38/92/13/526389213.db2.gz OVORHOAHSLROKJ-NVMNQCDNSA-N 0 0 359.842 4.146 50 30 FIEARN S=C1N=NC(C2CCCCC2)N1N=Cc1ccc(Br)s1 ZINC000244884464 526389746 /nfs/dbraw/zinc/38/97/46/526389746.db2.gz YNCSZKXHXVCFKK-UHFFFAOYSA-N 0 0 371.329 4.321 50 30 FIEARN O=C(OCC#CCSc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000002237271 526415923 /nfs/dbraw/zinc/41/59/23/526415923.db2.gz SMRGKFFOGMCPIA-UHFFFAOYSA-N 0 0 357.431 4.388 50 30 FIEARN N#CC1(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000024441273 526432814 /nfs/dbraw/zinc/43/28/14/526432814.db2.gz XXFLEKXLRHDZQU-IBGZPJMESA-N 0 0 357.457 4.500 50 30 FIEARN N#C[C@H](C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000001622558 526504153 /nfs/dbraw/zinc/50/41/53/526504153.db2.gz OAMVGGBWDYDFAD-INIZCTEOSA-N 0 0 360.335 4.301 50 30 FIEARN O=[N+]([O-])c1ccc(Cl)c(C=NN2C(=S)N=NC2C2CCCCC2)c1 ZINC000245241695 527356115 /nfs/dbraw/zinc/35/61/15/527356115.db2.gz NBBDKPIFSBNFRC-UHFFFAOYSA-N 0 0 365.846 4.058 50 30 aggregator FIEARN O=C(C(=NNc1ccccc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000004909813 527592610 /nfs/dbraw/zinc/59/26/10/527592610.db2.gz QPJLWTOBBMVLAS-LGUFXXKBSA-N 0 0 368.396 4.035 50 30 FIEARN O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccc(N2CCOCC2)c1 ZINC000011334597 527624815 /nfs/dbraw/zinc/62/48/15/527624815.db2.gz RKJKITAXULTVLG-BQYQJAHWSA-N 0 0 361.363 4.438 50 30 FIEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000005129620 527636990 /nfs/dbraw/zinc/63/69/90/527636990.db2.gz DIKACPZBWHEOSV-JXMROGBWSA-N 0 0 359.372 4.021 50 30 FIEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 ZINC000096891318 527660096 /nfs/dbraw/zinc/66/00/96/527660096.db2.gz URAPFYWLTFNNRX-HJWRWDBZSA-N 0 0 352.397 4.225 50 30 FIEARN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003881610 560191245 /nfs/dbraw/zinc/19/12/45/560191245.db2.gz VTHUYJIXSMGYOQ-KOORYGTMSA-N 0 0 372.505 4.409 50 30 biogenic,in-vitro FIEARN CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 ZINC000000648321 568041035 /nfs/dbraw/zinc/04/10/35/568041035.db2.gz FZMDGEDWEZUFGG-UHFFFAOYSA-N 0 0 350.447 4.143 50 30 FIEARN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OCC)cc2)n1 ZINC000000691383 568091084 /nfs/dbraw/zinc/09/10/84/568091084.db2.gz GXWWMOKXIWYNSH-UHFFFAOYSA-N 0 0 355.463 4.035 50 30 FIEARN CSc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347486 568282790 /nfs/dbraw/zinc/28/27/90/568282790.db2.gz SKUAUNZPXOONFX-AWEZNQCLSA-N 0 0 355.463 4.038 50 30 FIEARN CSc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347477 568282908 /nfs/dbraw/zinc/28/29/08/568282908.db2.gz SKUAUNZPXOONFX-CQSZACIVSA-N 0 0 355.463 4.038 50 30 FIEARN COc1ccc(/C(=N\O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 ZINC000000990215 570468719 /nfs/dbraw/zinc/46/87/19/570468719.db2.gz MRTQALTWUCQXEC-DARPEHSRSA-N 0 0 360.413 4.483 50 30 FIEARN FC(F)(F)[C@@](F)(Br)[C@](F)(Br)C(F)(F)F ZINC000095676721 570470578 /nfs/dbraw/zinc/47/05/78/570470578.db2.gz WDEZAGXZUSQBLW-JCYAYHJZSA-N 0 0 359.836 4.232 50 30 FIEARN O=[N+]([O-])c1ccc(-c2csc(N=NC3Cc4ccccc4C3)n2)cc1 ZINC000001025296 570472074 /nfs/dbraw/zinc/47/20/74/570472074.db2.gz TXRHSBJYJJBARS-UHFFFAOYSA-N 0 0 350.403 4.285 50 30 FIEARN CC(C)(O)C#Cc1ccc(C=NOC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001039406 570474154 /nfs/dbraw/zinc/47/41/54/570474154.db2.gz YLUXYCYUDGBOFX-FYJGNVAPSA-N 0 0 356.809 4.045 50 30 FIEARN Cc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000001225956 570495266 /nfs/dbraw/zinc/49/52/66/570495266.db2.gz NVLLNCZVEVYHMM-QURGRASLSA-N 0 0 364.470 4.034 50 30 FIEARN Cc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1 ZINC000100004493 570498190 /nfs/dbraw/zinc/49/81/90/570498190.db2.gz VAYWSYYFZNECBO-HXUWFJFHSA-N 0 0 372.461 4.447 50 30 FIEARN Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1 ZINC000100305504 570502799 /nfs/dbraw/zinc/50/27/99/570502799.db2.gz MVBJOPWPBCBGEK-BUVRLJJBSA-N 0 0 356.429 4.110 50 30 FIEARN O=[N+]([O-])c1ccc([C@@H]2CCCCC2N=Nc2cccc(F)n2)c([N+](=O)[O-])c1 ZINC000100475135 570504421 /nfs/dbraw/zinc/50/44/21/570504421.db2.gz XKXUVHGBUPCOEW-SXPRPLFSSA-N 0 0 373.344 4.163 50 30 FIEARN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=C1C(=O)CC(C)(C)CC1=O ZINC000100522909 570505057 /nfs/dbraw/zinc/50/50/57/570505057.db2.gz VNSRYENLACQIFB-GOSISDBHSA-N 0 0 350.462 4.285 50 30 FIEARN Cc1ccccc1-n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)cn1 ZINC000071738530 570510153 /nfs/dbraw/zinc/51/01/53/570510153.db2.gz HSSPSLWNOGFYGH-UHFFFAOYSA-N 0 0 367.412 4.069 50 30 FIEARN C=N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000102320332 570514866 /nfs/dbraw/zinc/51/48/66/570514866.db2.gz WGCHXJADQZBUFT-LXAYZEPESA-N 0 0 366.420 4.305 50 30 FIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/C1CCCCCC1 ZINC000103462504 570518753 /nfs/dbraw/zinc/51/87/53/570518753.db2.gz OWSGANUDKUHUCQ-MBOBHEEDSA-N 0 0 373.522 4.058 50 30 FIEARN N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 ZINC000014282618 570523462 /nfs/dbraw/zinc/52/34/62/570523462.db2.gz CPPFTWULDAOQKM-UHFFFAOYSA-N 0 0 360.392 4.014 50 30 FIEARN O=C(NCc1nc2cc(Br)ccc2o1)c1c(F)cccc1F ZINC000328591729 570525870 /nfs/dbraw/zinc/52/58/70/570525870.db2.gz AQGNXFIPDORTEO-UHFFFAOYSA-N 0 0 367.149 4.373 50 30 FIEARN Cc1cccc2c1NC(=O)C2=NNC(=S)Nc1cccc(Cl)c1C ZINC000014129737 570554638 /nfs/dbraw/zinc/55/46/38/570554638.db2.gz BVCUAWGTUARNEJ-UHFFFAOYSA-N 0 0 358.854 4.249 50 30 FIEARN C=CCSC1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(OC)c1 ZINC000004883030 570554680 /nfs/dbraw/zinc/55/46/80/570554680.db2.gz KBENIZZTLBVGTB-QGOAFFKASA-N 0 0 350.443 4.358 50 30 FIEARN CC/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 ZINC000005498893 570628567 /nfs/dbraw/zinc/62/85/67/570628567.db2.gz BGCYYGKFKHBHTG-LSDHQDQOSA-N 0 0 357.885 4.285 50 30 FIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(F)cc1 ZINC000005252678 570639965 /nfs/dbraw/zinc/63/99/65/570639965.db2.gz WCRPTCUHIVOADO-ZDLGFXPLSA-N 0 0 350.301 4.254 50 30 FIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)o2)c1C ZINC000002664508 570656031 /nfs/dbraw/zinc/65/60/31/570656031.db2.gz BCCNXHWWWRAVKX-UHFFFAOYSA-N 0 0 359.476 4.377 50 30 FIEARN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccs1 ZINC000012032487 570714452 /nfs/dbraw/zinc/71/44/52/570714452.db2.gz CKPLFQBZXWIKTQ-XYOKQWHBSA-N 0 0 365.277 4.402 50 30 FIEARN Cc1nc(COc2cccc(C(=O)OCc3cccc(C#N)c3)c2)cs1 ZINC000024360275 570769398 /nfs/dbraw/zinc/76/93/98/570769398.db2.gz CKPTXTYBQYWAJM-UHFFFAOYSA-N 0 0 364.426 4.259 50 30 FIEARN Cc1nn(-c2cccc(C)c2)c2c1[C@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000013123374 570773937 /nfs/dbraw/zinc/77/39/37/570773937.db2.gz MCQZZYUEZDBVHZ-QFIPXVFZSA-N 0 0 370.456 4.449 50 30 FIEARN C#CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000583650957 570812078 /nfs/dbraw/zinc/81/20/78/570812078.db2.gz CDRRDSZYAIRDTB-JTQLQIEISA-N 0 0 355.303 4.373 50 30 FIEARN O=C1/C(=C/c2ccc3c(c2)OCO3)CCC/C1=C/c1ccc2c(c1)OCO2 ZINC000018166013 570813541 /nfs/dbraw/zinc/81/35/41/570813541.db2.gz FSKXKUGPSKOGHB-VAQFQWRASA-N 0 0 362.381 4.364 50 30 FIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1F ZINC000101284967 570818270 /nfs/dbraw/zinc/81/82/70/570818270.db2.gz WFJNTEHPUXNDRO-GOSISDBHSA-N 0 0 372.444 4.220 50 30 FIEARN CN1c2ccccc2S/C1=C1/S/C(=N/Cc2ccccc2)N(C)C1=O ZINC000102146690 570827741 /nfs/dbraw/zinc/82/77/41/570827741.db2.gz UQUFOLYQHTYSOZ-OIKXUCPJSA-N 0 0 367.499 4.159 50 30 FIEARN C[C@@H]1CCC(=CNCCCCCCNC=C2CC[C@H](C)CC2=O)C(=O)C1 ZINC000103709574 570852279 /nfs/dbraw/zinc/85/22/79/570852279.db2.gz JVPZUSSZOFCTNT-SYTSZCMRSA-N 0 0 360.542 4.272 50 30 FIEARN CC/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C1CCCCCC1 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CCc1ccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc1 ZINC000046128785 570927656 /nfs/dbraw/zinc/92/76/56/570927656.db2.gz FCNHYUWMBCHTNG-UHFFFAOYSA-N 0 0 358.445 4.042 50 30 FIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000046129181 570927700 /nfs/dbraw/zinc/92/77/00/570927700.db2.gz JFYKYAOKRBBBLW-QGZVFWFLSA-N 0 0 371.868 4.025 50 30 FIEARN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(n3cc(CCCC)nn3)CC1)C2 ZINC000048135010 570935597 /nfs/dbraw/zinc/93/55/97/570935597.db2.gz CZJCUJAKOYJBCF-JTSKRJEESA-N 0 0 370.541 4.167 50 30 FIEARN CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)C1(C)C ZINC000048848601 570960311 /nfs/dbraw/zinc/96/03/11/570960311.db2.gz FETWSOLLTYUYNX-IIAWOOMASA-N 0 0 369.852 4.403 50 30 FIEARN CC(=O)Nc1cccc(/N=C2\NN=C(c3ccc(C(C)C)cc3)CS2)c1 ZINC000026144561 571002946 /nfs/dbraw/zinc/00/29/46/571002946.db2.gz CGFGBKCKTZSMRX-UHFFFAOYSA-N 0 0 366.490 4.497 50 30 FIEARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)O[C@H](C#N)C(C)C ZINC000072280424 571034604 /nfs/dbraw/zinc/03/46/04/571034604.db2.gz OOAXSVLPSQGHCI-GOSISDBHSA-N 0 0 359.857 4.085 50 30 FIEARN C=CCn1c(=S)n(CN2CCC[C@H]3CCCC[C@H]32)nc1-c1cccnc1 ZINC000125294803 571050661 /nfs/dbraw/zinc/05/06/61/571050661.db2.gz WGSVHGOUGIJFSK-SJLPKXTDSA-N 0 0 369.538 4.274 50 30 FIEARN C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000055036729 571057760 /nfs/dbraw/zinc/05/77/60/571057760.db2.gz YALQBUCLAHYPNP-UHFFFAOYSA-N 0 0 353.487 4.007 50 30 FIEARN Cc1ccsc1CN(Cc1cc(C#CCO)cs1)Cc1ccccn1 ZINC000055253821 571058692 /nfs/dbraw/zinc/05/86/92/571058692.db2.gz MJSMJYJNRCKXEZ-UHFFFAOYSA-N 0 0 368.527 4.059 50 30 FIEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1c(Cl)cccc1Cl)O2 ZINC000033363120 571064682 /nfs/dbraw/zinc/06/46/82/571064682.db2.gz RDYSUKIAMIAUHK-LZYBPNLTSA-N 0 0 364.228 4.377 50 30 FIEARN N#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 ZINC000040110745 571078854 /nfs/dbraw/zinc/07/88/54/571078854.db2.gz AKMCSYAYQYYOQD-UHFFFAOYSA-N 0 0 365.408 4.468 50 30 FIEARN Cc1cccc(OCCCC(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 ZINC000084211210 571079354 /nfs/dbraw/zinc/07/93/54/571079354.db2.gz IBUZVINSUNLJFR-JOCHJYFZSA-N 0 0 350.462 4.185 50 30 FIEARN N#Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000012767728 571086616 /nfs/dbraw/zinc/08/66/16/571086616.db2.gz NACZFAVAVSZQCN-UHFFFAOYSA-N 0 0 368.396 4.037 50 30 FIEARN O=C(Nc1ccccc1C(=O)OCC#Cc1ccccc1)c1cccs1 ZINC000040157158 571087777 /nfs/dbraw/zinc/08/77/77/571087777.db2.gz HXRBRXLOASAULL-UHFFFAOYSA-N 0 0 361.422 4.209 50 30 FIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000847057 571092800 /nfs/dbraw/zinc/09/28/00/571092800.db2.gz UDWWUMLUYICTRG-IBGZPJMESA-N 0 0 351.402 4.005 50 30 FIEARN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000069356533 571096354 /nfs/dbraw/zinc/09/63/54/571096354.db2.gz CKMQCVPEPHKKOO-YOEHRIQHSA-N 0 0 370.474 4.199 50 30 FIEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCCC(C)C)n2)cc1 ZINC000033011148 571098966 /nfs/dbraw/zinc/09/89/66/571098966.db2.gz 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571112023 /nfs/dbraw/zinc/11/20/23/571112023.db2.gz UYJNRKDVRFGHCA-UHFFFAOYSA-N 0 0 366.490 4.500 50 30 FIEARN Cc1ccc([C@H](NC(=O)COc2cccc(C#N)c2)c2cccs2)cc1 ZINC000012817897 571116172 /nfs/dbraw/zinc/11/61/72/571116172.db2.gz JPJJXKKYHBKKCD-NRFANRHFSA-N 0 0 362.454 4.213 50 30 FIEARN C=CCC1(CC=C)CCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011956399 571117268 /nfs/dbraw/zinc/11/72/68/571117268.db2.gz CWYNGNBCTYQRCN-UHFFFAOYSA-N 0 0 370.884 4.107 50 30 FIEARN C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419499 571118444 /nfs/dbraw/zinc/11/84/44/571118444.db2.gz KTWLCMHTGZLFAJ-UHFFFAOYSA-N 0 0 364.810 4.019 50 30 FIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C(C)C ZINC000013725518 571120295 /nfs/dbraw/zinc/12/02/95/571120295.db2.gz RGZPYHQUWLKSJT-UHFFFAOYSA-N 0 0 374.506 4.027 50 30 FIEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1)C1CCN2CC1 ZINC000004623375 571121772 /nfs/dbraw/zinc/12/17/72/571121772.db2.gz XHWBKQQMDQYHHR-UHFFFAOYSA-N 0 0 369.877 4.279 50 30 FIEARN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000016310820 571122403 /nfs/dbraw/zinc/12/24/03/571122403.db2.gz ZWSKUUHTGMUOMW-HNNXBMFYSA-N 0 0 354.475 4.030 50 30 FIEARN O=C(Nc1nnc(/N=C/c2ccco2)s1)c1cc(Cl)cc(Cl)c1 ZINC000001500151 571122957 /nfs/dbraw/zinc/12/29/57/571122957.db2.gz RFERZTZIGSPACF-REZTVBANSA-N 0 0 367.217 4.441 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000000723822 571123105 /nfs/dbraw/zinc/12/31/05/571123105.db2.gz OHUCFIQAWMFJEL-UHFFFAOYSA-N 0 0 370.865 4.155 50 30 FIEARN C=CCn1c(SCC(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000000784809 571123192 /nfs/dbraw/zinc/12/31/92/571123192.db2.gz SYGBGEDFEXEHKV-UHFFFAOYSA-N 0 0 370.499 4.236 50 30 FIEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCCC2 ZINC000015834475 571132759 /nfs/dbraw/zinc/13/27/59/571132759.db2.gz WACQIFQWMWGYOK-UHFFFAOYSA-N 0 0 357.866 4.216 50 30 FIEARN C=C(C)CN(CC)C(=O)/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000096422956 571138007 /nfs/dbraw/zinc/13/80/07/571138007.db2.gz BTPCFLJSOOUGDU-ZSOIEALJSA-N 0 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/nfs/dbraw/zinc/14/41/27/571144127.db2.gz MAJCEUVTVOJDFD-UHFFFAOYSA-N 0 0 364.426 4.070 50 30 FIEARN CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccccc1 ZINC000001087921 571145816 /nfs/dbraw/zinc/14/58/16/571145816.db2.gz VTEQMSZWUSDZFA-UHFFFAOYSA-N 0 0 371.433 4.230 50 30 FIEARN N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012927040 571146167 /nfs/dbraw/zinc/14/61/67/571146167.db2.gz LKTNODCHEGRJRX-QFIPXVFZSA-N 0 0 373.481 4.206 50 30 FIEARN COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c1O ZINC000001095400 571146168 /nfs/dbraw/zinc/14/61/68/571146168.db2.gz JKBXHXJBZDQYHE-ZVBGSRNCSA-N 0 0 373.865 4.435 50 30 FIEARN CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2F)sc2c1CCCC2 ZINC000001152499 571147708 /nfs/dbraw/zinc/14/77/08/571147708.db2.gz GECBIIAUFWHZIT-UHFFFAOYSA-N 0 0 372.421 4.067 50 30 FIEARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257356299 571163532 /nfs/dbraw/zinc/16/35/32/571163532.db2.gz HHOPZZNLTLSBAF-GMJRFCCJSA-N 0 0 358.478 4.019 50 30 FIEARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC(=O)[C@@]21C ZINC000257349138 571163546 /nfs/dbraw/zinc/16/35/46/571163546.db2.gz LSGSISOIJKSALZ-VOHUSGHWSA-N 0 0 372.505 4.123 50 30 FIEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(C3CC3)c2c1=O ZINC000005937510 571168901 /nfs/dbraw/zinc/16/89/01/571168901.db2.gz DBWFZHBQNCNLPP-UHFFFAOYSA-N 0 0 373.503 4.419 50 30 FIEARN CCOc1ccc(Nc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)cc1 ZINC000035672248 571186899 /nfs/dbraw/zinc/18/68/99/571186899.db2.gz GXOXZSHWZINHJO-UHFFFAOYSA-N 0 0 350.334 4.264 50 30 FIEARN N#CCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1 ZINC000011341035 571233363 /nfs/dbraw/zinc/23/33/63/571233363.db2.gz JOLJKBZCSMTEMG-UHFFFAOYSA-N 0 0 361.264 4.098 50 30 FIEARN C=CCc1ccc(OCCn2c3ccccc3nc2[C@@H](O)CC)c(OC)c1 ZINC000006745860 571244765 /nfs/dbraw/zinc/24/47/65/571244765.db2.gz QAYBULBFUYICGL-IBGZPJMESA-N 0 0 366.461 4.296 50 30 FIEARN Cc1ccc([C@@H](C)/C=N/NS(=O)(=O)c2ccc(CC(C)C)cc2)s1 ZINC000006846697 571250566 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/nfs/dbraw/zinc/27/00/31/205270031.db2.gz ZFLUSDROVJEEOB-UHFFFAOYSA-N 0 0 355.800 4.494 50 30 FIEARN CCOC(=O)N=c1[nH]c2ccc(NC(=O)C3(C#N)CCCCC3)cc2s1 ZINC000058722960 205279396 /nfs/dbraw/zinc/27/93/96/205279396.db2.gz DNGPBDFIJFDSCJ-UHFFFAOYSA-N 0 0 372.450 4.277 50 30 FIEARN Cc1ccc(C#N)c(N2CCOc3c(O)cc(-c4ccccc4C)cc3C2)n1 ZINC000067868465 205398722 /nfs/dbraw/zinc/39/87/22/205398722.db2.gz AZDAHDYPXGVNOD-UHFFFAOYSA-N 0 0 371.440 4.342 50 30 FIEARN O=c1[nH][nH]c2c1[C@H](c1c(F)cccc1Cl)C1=C(N2)c2ccccc2C1=O ZINC000018196144 220228207 /nfs/dbraw/zinc/22/82/07/220228207.db2.gz GORHZSNFURHHTC-CYBMUJFWSA-N 0 0 367.767 4.073 50 30 FIEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1cccc([N+](=O)[O-])c1 ZINC000100564031 205944566 /nfs/dbraw/zinc/94/45/66/205944566.db2.gz SXRKRWONZCOWKI-QLJNEMMGSA-N 0 0 365.414 4.385 50 30 FIEARN C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000100549190 205944622 /nfs/dbraw/zinc/94/46/22/205944622.db2.gz GTKXLBOZPDTRNC-GHTZIAJQSA-N 0 0 350.487 4.430 50 30 FIEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000044890044 206073945 /nfs/dbraw/zinc/07/39/45/206073945.db2.gz OAJPCFINQDVUBA-INIZCTEOSA-N 0 0 359.216 4.084 50 30 FIEARN Cc1cc(-c2ccccc2)c(C#N)c(SCC(=O)NC2CCCCC2)n1 ZINC000000956049 206143471 /nfs/dbraw/zinc/14/34/71/206143471.db2.gz RIAAAPYOEWLGHX-UHFFFAOYSA-N 0 0 365.502 4.470 50 30 FIEARN C=CC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000002080815 206153310 /nfs/dbraw/zinc/15/33/10/206153310.db2.gz JHQFQKKRENSXBW-BKUYFWCQSA-N 0 0 360.442 4.047 50 30 FIEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC ZINC000002619712 206154088 /nfs/dbraw/zinc/15/40/88/206154088.db2.gz KTTJXPSSRQVRLN-UHFFFAOYSA-N 0 0 352.459 4.371 50 30 FIEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000002874738 206156276 /nfs/dbraw/zinc/15/62/76/206156276.db2.gz XEUMHDUORJOPSO-OAHLLOKOSA-N 0 0 373.566 4.441 50 30 FIEARN CCC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000002937660 206157228 /nfs/dbraw/zinc/15/72/28/206157228.db2.gz IILAITWECJKYJP-UHFFFAOYSA-N 0 0 366.664 4.238 50 30 FIEARN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000001194200 206145266 /nfs/dbraw/zinc/14/52/66/206145266.db2.gz YSMQNGAIXAVDOE-GDNBJRDFSA-N 0 0 372.427 4.242 50 30 FIEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000004492825 206177634 /nfs/dbraw/zinc/17/76/34/206177634.db2.gz OEFAFEZBJPRRNR-AWEZNQCLSA-N 0 0 362.458 4.213 50 30 FIEARN COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC/C(=N/O)CCCCC2 ZINC000004026337 206164230 /nfs/dbraw/zinc/16/42/30/206164230.db2.gz QMUJDFDWPWITAS-IKBYJFNHSA-N 0 0 363.454 4.366 50 30 biogenic FIEARN CCSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436391 206178032 /nfs/dbraw/zinc/17/80/32/206178032.db2.gz AXPOCQYZRLOBSA-CQSZACIVSA-N 0 0 374.535 4.418 50 30 FIEARN CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004899090 206182043 /nfs/dbraw/zinc/18/20/43/206182043.db2.gz PSAJILIHHZSBRB-VZZUUUIUSA-N 0 0 351.475 4.239 50 30 FIEARN N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccs2)n1 ZINC000004516877 206179249 /nfs/dbraw/zinc/17/92/49/206179249.db2.gz XZKARHXQYYLILB-UHFFFAOYSA-N 0 0 356.838 4.431 50 30 FIEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000100562519 206223295 /nfs/dbraw/zinc/22/32/95/206223295.db2.gz BTGLPJCXIKOUAQ-WAYWQWQTSA-N 0 0 353.197 4.227 50 30 FIEARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)c1 ZINC000007735460 206213269 /nfs/dbraw/zinc/21/32/69/206213269.db2.gz CFRQAHFNPXWMBB-UHFFFAOYSA-N 0 0 355.397 4.371 50 30 FIEARN CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc12 ZINC000007983154 206214724 /nfs/dbraw/zinc/21/47/24/206214724.db2.gz YWPYLQXZUNJBHI-UHFFFAOYSA-N 0 0 350.330 4.318 50 30 FIEARN N#Cc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 ZINC000002622873 206229968 /nfs/dbraw/zinc/22/99/68/206229968.db2.gz KWYKTLMWEZIDDR-UHFFFAOYSA-N 0 0 359.223 4.118 50 30 FIEARN Cc1csc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC000006131255 206242319 /nfs/dbraw/zinc/24/23/19/206242319.db2.gz MGJBYCJAMRBAOT-UHFFFAOYSA-N 0 0 371.487 4.008 50 30 FIEARN Cc1sc2nc(CSc3nc(C)cc(C)c3C#N)nc(N)c2c1C ZINC000012476516 206292681 /nfs/dbraw/zinc/29/26/81/206292681.db2.gz HRVUOKODZXBQPC-UHFFFAOYSA-N 0 0 355.492 4.066 50 30 FIEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000012561036 206293608 /nfs/dbraw/zinc/29/36/08/206293608.db2.gz FFCCKQUWVLBQKA-UHFFFAOYSA-N 0 0 350.399 4.151 50 30 FIEARN N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000012792854 206296319 /nfs/dbraw/zinc/29/63/19/206296319.db2.gz PKCFHOMREFUMTD-UHFFFAOYSA-N 0 0 358.397 4.155 50 30 FIEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1Br ZINC000012922979 206298041 /nfs/dbraw/zinc/29/80/41/206298041.db2.gz AFRZZOQBASEGAV-UHFFFAOYSA-N 0 0 366.280 4.139 50 30 FIEARN COc1cc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)ccc1O ZINC000013564555 206303318 /nfs/dbraw/zinc/30/33/18/206303318.db2.gz LFDSLBNUKSEVMU-KPSZGOFPSA-N 0 0 371.611 4.074 50 30 FIEARN Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013550798 206304582 /nfs/dbraw/zinc/30/45/82/206304582.db2.gz XFEOBHIYWPQNBN-QRWLVFNGSA-N 0 0 373.412 4.042 50 30 FIEARN C=CCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 ZINC000038141750 206335048 /nfs/dbraw/zinc/33/50/48/206335048.db2.gz XNMNTOFNEHOCDS-UHFFFAOYSA-N 0 0 369.432 4.125 50 30 FIEARN CCCN(Cc1ccc(C#N)cc1)Cn1ncn(-c2ccccc2)c1=S ZINC000054515878 206335698 /nfs/dbraw/zinc/33/56/98/206335698.db2.gz YDEBXGOHTRWTLP-UHFFFAOYSA-N 0 0 363.490 4.145 50 30 FIEARN C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1OC ZINC000002700933 206339282 /nfs/dbraw/zinc/33/92/82/206339282.db2.gz SEAWLBUCZHCPCH-COOUDCDJSA-N 0 0 363.504 4.260 50 30 FIEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 ZINC000217675575 206365922 /nfs/dbraw/zinc/36/59/22/206365922.db2.gz BQSZJAIQWATNHC-HNNXBMFYSA-N 0 0 350.370 4.005 50 30 biogenic FIEARN COc1ccc2c(c1)C(=O)/C(=C\c1c(C)nn(-c3ccccc3)c1C)CO2 ZINC000022958213 206395663 /nfs/dbraw/zinc/39/56/63/206395663.db2.gz BMNBUZPLUCVLOP-WJDWOHSUSA-N 0 0 360.413 4.156 50 30 FIEARN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000230048871 206530962 /nfs/dbraw/zinc/53/09/62/206530962.db2.gz YNGMSUOORXTWSJ-YTQUADARSA-N 0 0 370.493 4.153 50 30 FIEARN N#Cc1ccc(N2CCN([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)nc1 ZINC000089794192 132200470 /nfs/dbraw/zinc/20/04/70/132200470.db2.gz OKNVAPVFQLPORO-GOSISDBHSA-N 0 0 373.287 4.070 50 30 FIEARN Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc(C)c1Cl ZINC000001422178 132381926 /nfs/dbraw/zinc/38/19/26/132381926.db2.gz MCXVBMXCWDGACL-UHFFFAOYSA-N 0 0 367.836 4.329 50 30 FIEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000038654393 136118946 /nfs/dbraw/zinc/11/89/46/136118946.db2.gz HCFDUPRCPGQRJJ-UHFFFAOYSA-N 0 0 370.456 4.270 50 30 FIEARN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000071747319 136139926 /nfs/dbraw/zinc/13/99/26/136139926.db2.gz YNDIUTHGEYESGM-INIZCTEOSA-N 0 0 373.378 4.380 50 30 FIEARN CCCCOc1ccc2ccccc2c1C=NN1C(=S)N=NC1CC ZINC000005010871 263338022 /nfs/dbraw/zinc/33/80/22/263338022.db2.gz NWZHORXWEQABMM-DEDYPNTBSA-N 0 0 354.479 4.344 50 30 FIEARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000005065370 263338821 /nfs/dbraw/zinc/33/88/21/263338821.db2.gz VTRCROFOHZWFOT-ZDUSSCGKSA-N 0 0 374.868 4.269 50 30 FIEARN N#C[C@@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccc(F)cc1 ZINC000005341155 263340518 /nfs/dbraw/zinc/34/05/18/263340518.db2.gz NJPPKTXZBNARBI-ZIAGYGMSSA-N 0 0 372.446 4.055 50 30 FIEARN COc1ccc(/C(=N\OC(C)C)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005384439 263340970 /nfs/dbraw/zinc/34/09/70/263340970.db2.gz YMUCSXOQPKCMEH-CKVSNKFESA-N 0 0 353.418 4.357 50 30 FIEARN N#CCOc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000010030854 263362840 /nfs/dbraw/zinc/36/28/40/263362840.db2.gz QYBQFQUGGIQSNV-DHZHZOJOSA-N 0 0 360.457 4.083 50 30 FIEARN C=CCC(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000011873454 263368022 /nfs/dbraw/zinc/36/80/22/263368022.db2.gz FDVXIAJFMYOOFQ-UHFFFAOYSA-N 0 0 362.473 4.415 50 30 FIEARN N#C[C@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@@]12CCCCO2 ZINC000328594599 263468976 /nfs/dbraw/zinc/46/89/76/263468976.db2.gz XNPDKRVBZARFDB-PBHICJAKSA-N 0 0 353.249 4.061 50 30 FIEARN COCCN(CC1CC1)C(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1 ZINC000426612184 263643746 /nfs/dbraw/zinc/64/37/46/263643746.db2.gz ARHZCCKJCMYDFU-UHFFFAOYSA-N 0 0 368.864 4.377 50 30 FIEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc(C)cc1C ZINC000100910475 518340525 /nfs/dbraw/zinc/34/05/25/518340525.db2.gz OCQFMDNCEDNULI-VZCXRCSSSA-N 0 0 354.862 4.347 50 30 FIEARN C=C(C)CN(CC)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014981160 518596823 /nfs/dbraw/zinc/59/68/23/518596823.db2.gz OEHXWZXHFPVHOX-UHFFFAOYSA-N 0 0 352.793 4.084 50 30 FIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000009484553 518795069 /nfs/dbraw/zinc/79/50/69/518795069.db2.gz SGEQBDQUNUQEIO-WQRHYEAKSA-N 0 0 352.386 4.023 50 30 biogenic FIEARN C=CCOc1ccccc1NC(=O)N1CCC(CCn2ccnc2C)CC1 ZINC000299756358 519072010 /nfs/dbraw/zinc/07/20/10/519072010.db2.gz GRHLEPYWPSXZLY-UHFFFAOYSA-N 0 0 368.481 4.091 50 30 FIEARN C=CCSc1nc2ccccc2n1Cc1nnc(-c2cccs2)o1 ZINC000003418534 519083318 /nfs/dbraw/zinc/08/33/18/519083318.db2.gz MIKQEOFKBDUYQN-UHFFFAOYSA-N 0 0 354.460 4.474 50 30 FIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(F)cc1 ZINC000002227224 519241668 /nfs/dbraw/zinc/24/16/68/519241668.db2.gz MEKRSMJVYFGZMO-UHFFFAOYSA-N 0 0 370.409 4.471 50 30 FIEARN C=CCn1c2ccccc2nc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004485667 519268086 /nfs/dbraw/zinc/26/80/86/519268086.db2.gz RRPUUKGWUSFTAZ-AWEZNQCLSA-N 0 0 369.465 4.331 50 30 FIEARN CC(=O)NCc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)s1 ZINC000008745612 519675358 /nfs/dbraw/zinc/67/53/58/519675358.db2.gz BCXSFCSBSDUBIK-VQHVLOKHSA-N 0 0 368.483 4.404 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1ccsc1 ZINC000241707073 521090740 /nfs/dbraw/zinc/09/07/40/521090740.db2.gz QMKFDBKMTHRKHQ-ICSRJNTNSA-N 0 0 370.470 4.466 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccs1 ZINC000004919328 521091769 /nfs/dbraw/zinc/09/17/69/521091769.db2.gz ZTBROBNFCNPTCZ-LPHOPBHVSA-N 0 0 356.443 4.076 50 30 FIEARN CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000036093502 521121757 /nfs/dbraw/zinc/12/17/57/521121757.db2.gz IDNWSNCVPCUSGH-ILZOBUCISA-N 0 0 373.453 4.443 50 30 FIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(OC)c1 ZINC000019923536 521169768 /nfs/dbraw/zinc/16/97/68/521169768.db2.gz YUIAOTDSUUDFEL-HNAYVOBHSA-N 0 0 359.466 4.196 50 30 FIEARN CCCN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034910968 521628668 /nfs/dbraw/zinc/62/86/68/521628668.db2.gz HUQPMNCWMOJIQT-UHFFFAOYSA-N 0 0 373.460 4.009 50 30 FIEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020504032 521648856 /nfs/dbraw/zinc/64/88/56/521648856.db2.gz YEPWEFSEATYNDX-UYRXBGFRSA-N 0 0 352.434 4.025 50 30 FIEARN COc1cc(C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1Cl ZINC000083923691 522099828 /nfs/dbraw/zinc/09/98/28/522099828.db2.gz NYBPVXGYZKMTCV-UHFFFAOYSA-N 0 0 370.836 4.104 50 30 FIEARN COc1cc(CN(C)C[C@@H](C#N)CCC#N)ccc1OCc1ccccc1 ZINC000032735893 522352469 /nfs/dbraw/zinc/35/24/69/522352469.db2.gz SCBSWIRQMJVJSM-HXUWFJFHSA-N 0 0 363.461 4.150 50 30 FIEARN CN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000082094185 522404989 /nfs/dbraw/zinc/40/49/89/522404989.db2.gz LRIAOKBRQMKNBB-UHFFFAOYSA-N 0 0 357.360 4.340 50 30 FIEARN CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000225416799 522692679 /nfs/dbraw/zinc/69/26/79/522692679.db2.gz FBLUFKCVGVRYSE-IEBWSBKVSA-N 0 0 364.445 4.113 50 30 FIEARN CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000225416729 522695249 /nfs/dbraw/zinc/69/52/49/522695249.db2.gz FBLUFKCVGVRYSE-PKOBYXMFSA-N 0 0 364.445 4.113 50 30 FIEARN COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1CC#N ZINC000009479809 523166890 /nfs/dbraw/zinc/16/68/90/523166890.db2.gz KGIFKWGSKGHIDX-CYBMUJFWSA-N 0 0 353.447 4.180 50 30 FIEARN COc1ccc(C(=O)/C=C/c2ccc(OC3CSC3)cc2)cc1OC ZINC000004851644 523542357 /nfs/dbraw/zinc/54/23/57/523542357.db2.gz CUZNNESXJRFYRA-WEVVVXLNSA-N 0 0 356.443 4.094 50 30 FIEARN COc1ccc(C(=O)N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1OC ZINC000003078083 523678428 /nfs/dbraw/zinc/67/84/28/523678428.db2.gz LPBWVVOKENVLRP-UHFFFAOYSA-N 0 0 355.434 4.033 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)CCC1CCCC1 ZINC000032797494 524033995 /nfs/dbraw/zinc/03/39/95/524033995.db2.gz AUFGFKRRBLABDR-ZHZULCJRSA-N 0 0 355.478 4.381 50 30 FIEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000006166058 524315786 /nfs/dbraw/zinc/31/57/86/524315786.db2.gz GDLRBJNQLAYMDP-JNJFRLMHSA-N 0 0 370.865 4.443 50 30 FIEARN Cc1cccc(C)c1OCc1nnc(SCCC#N)n1-c1ccccc1 ZINC000003416967 524320545 /nfs/dbraw/zinc/32/05/45/524320545.db2.gz HIMFRSDHZXPRDT-UHFFFAOYSA-N 0 0 364.474 4.469 50 30 FIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2C2CC2)cc1 ZINC000074343376 524651615 /nfs/dbraw/zinc/65/16/15/524651615.db2.gz NAMQVLMKIRENAW-SFHVURJKSA-N 0 0 361.474 4.210 50 30 FIEARN C[C@@H]1CCc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024679476 524727956 /nfs/dbraw/zinc/72/79/56/524727956.db2.gz 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C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004943164 203829156 /nfs/dbraw/zinc/82/91/56/203829156.db2.gz IYKYWFNJHVTBSM-MRXNPFEDSA-N 0 0 361.445 4.142 50 30 FIEARN C=CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2c(s1)CCCC2 ZINC000005511197 203829554 /nfs/dbraw/zinc/82/95/54/203829554.db2.gz RPHFUKHGQLADHD-UHFFFAOYSA-N 0 0 357.435 4.071 50 30 FIEARN C=CCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2)n1 ZINC000017135432 203861979 /nfs/dbraw/zinc/86/19/79/203861979.db2.gz VMBJUGGAWCPDCD-UHFFFAOYSA-N 0 0 356.433 4.465 50 30 FIEARN C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1OC ZINC000023402572 203865607 /nfs/dbraw/zinc/86/56/07/203865607.db2.gz KQBFTBMOLBHLSS-UYRXBGFRSA-N 0 0 374.440 4.130 50 30 FIEARN C=CCn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccoc1C ZINC000023075145 203865972 /nfs/dbraw/zinc/86/59/72/203865972.db2.gz MXPNVEIMGMQPGW-UHFFFAOYSA-N 0 0 359.455 4.005 50 30 FIEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000002439188 203918241 /nfs/dbraw/zinc/91/82/41/203918241.db2.gz HRQNBPVVFWZSTC-ODLFYWEKSA-N 0 0 366.413 4.152 50 30 biogenic FIEARN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OC)SC1=S ZINC000001156708 203989520 /nfs/dbraw/zinc/98/95/20/203989520.db2.gz XRYFQQIFLBUQJC-IZZDOVSWSA-N 0 0 360.287 4.389 50 30 FIEARN COc1ccc([C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC000001385454 204003657 /nfs/dbraw/zinc/00/36/57/204003657.db2.gz FPOQMLWYZCRFLL-NSHDSACASA-N 0 0 356.731 4.426 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1C ZINC000001456739 204008077 /nfs/dbraw/zinc/00/80/77/204008077.db2.gz GABHYTKPMARSTL-LJQANCHMSA-N 0 0 359.425 4.127 50 30 FIEARN O=c1n(C[C@@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000002275816 204031324 /nfs/dbraw/zinc/03/13/24/204031324.db2.gz GZAGLVFYTYMSBJ-OAQYLSRUSA-N 0 0 368.436 4.372 50 30 FIEARN Cc1ccc(C(=O)N=C(Nc2ccccc2)Nc2nc(C)cc(C)n2)cc1 ZINC000002312869 204034592 /nfs/dbraw/zinc/03/45/92/204034592.db2.gz DTOKUPOKDNXOAP-UHFFFAOYSA-N 0 0 359.433 4.122 50 30 FIEARN C=CCn1c(N)c(C(=O)NCCCCCCC)c2nc3ccccc3nc21 ZINC000002356378 204035079 /nfs/dbraw/zinc/03/50/79/204035079.db2.gz XEEHTOSVXWHRRM-UHFFFAOYSA-N 0 0 365.481 4.053 50 30 FIEARN COc1cccc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)c1OC ZINC000002370782 204035958 /nfs/dbraw/zinc/03/59/58/204035958.db2.gz FNDCSWVJBOKQRO-BOPFTXTBSA-N 0 0 368.458 4.212 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1cncc(Br)c1 ZINC000003222732 204083632 /nfs/dbraw/zinc/08/36/32/204083632.db2.gz WZUHUXBSVHVWKK-RQZCQDPDSA-N 0 0 357.251 4.338 50 30 FIEARN CC(C)(C)c1ccc(C(=O)O[C@@H](C#N)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003244868 204084194 /nfs/dbraw/zinc/08/41/94/204084194.db2.gz IVSKPQNMSRPUIR-GOSISDBHSA-N 0 0 352.390 4.184 50 30 FIEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 ZINC000002740685 204054094 /nfs/dbraw/zinc/05/40/94/204054094.db2.gz RPDOFJHFVQSTEK-UHFFFAOYSA-N 0 0 354.475 4.469 50 30 FIEARN COCCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N\c1ccccc1 ZINC000002783085 204057295 /nfs/dbraw/zinc/05/72/95/204057295.db2.gz CSXQCLXEYHSURR-PTPABZONSA-N 0 0 352.459 4.245 50 30 FIEARN O=C(C=CNc1ccc(I)cc1)c1cccs1 ZINC000002856754 204063152 /nfs/dbraw/zinc/06/31/52/204063152.db2.gz XQANFSGUQWFVFH-BQYQJAHWSA-N 0 0 355.200 4.161 50 30 FIEARN COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000003904690 204114129 /nfs/dbraw/zinc/11/41/29/204114129.db2.gz KMADAXARCORDGF-JOCHJYFZSA-N 0 0 362.429 4.222 50 30 FIEARN CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000004179315 204126239 /nfs/dbraw/zinc/12/62/39/204126239.db2.gz SWLRHSGCJAMKIK-SFHVURJKSA-N 0 0 350.466 4.234 50 30 FIEARN CC(C)(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000004179317 204126444 /nfs/dbraw/zinc/12/64/44/204126444.db2.gz SWLRHSGCJAMKIK-GOSISDBHSA-N 0 0 350.466 4.234 50 30 FIEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000003372450 204096803 /nfs/dbraw/zinc/09/68/03/204096803.db2.gz KJZONVAPUWUDLX-UHFFFAOYSA-N 0 0 373.437 4.202 50 30 FIEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1cccc(Cl)c1Cl ZINC000003540459 204106011 /nfs/dbraw/zinc/10/60/11/204106011.db2.gz IYIUYBXIZIIPIN-LBPRGKRZSA-N 0 0 362.260 4.324 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(F)cc1 ZINC000003563850 204106597 /nfs/dbraw/zinc/10/65/97/204106597.db2.gz AGVJDQHDYNPDLD-UHFFFAOYSA-N 0 0 364.170 4.078 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1Cl ZINC000004624844 204150116 /nfs/dbraw/zinc/15/01/16/204150116.db2.gz MOYSTPSAFJXDNA-QGZVFWFLSA-N 0 0 365.816 4.081 50 30 FIEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(C(C)(C)C)cc3)nc21 ZINC000004619091 204150940 /nfs/dbraw/zinc/15/09/40/204150940.db2.gz ZLJSKFYUYJXWDB-LPYMAVHISA-N 0 0 358.449 4.260 50 30 FIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(NC(C)=O)cc1 ZINC000004649211 204152040 /nfs/dbraw/zinc/15/20/40/204152040.db2.gz QBDZKEQCGYZKQO-WEVVVXLNSA-N 0 0 374.234 4.312 50 30 FIEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2sccc2C)C1=O ZINC000004703153 204156501 /nfs/dbraw/zinc/15/65/01/204156501.db2.gz ACXHEIMPLYKPMJ-XNTDXEJSSA-N 0 0 357.406 4.073 50 30 FIEARN CC(=O)c1ccc(-c2ccc(C=C3C(=O)ON=C3c3ccccc3)o2)cc1 ZINC000004698589 204157045 /nfs/dbraw/zinc/15/70/45/204157045.db2.gz GNMNDBWRPOBYQO-UYRXBGFRSA-N 0 0 357.365 4.494 50 30 FIEARN Cc1cccc(C[C@H]2S/C(=N\N=C\c3cccc4ccccc34)NC2=O)c1 ZINC000004712956 204157449 /nfs/dbraw/zinc/15/74/49/204157449.db2.gz HEZZDYQMGZYVNA-RXULLKCLSA-N 0 0 373.481 4.312 50 30 FIEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000004863740 204170038 /nfs/dbraw/zinc/17/00/38/204170038.db2.gz UROOVGYNWOBFNE-FQEVSTJZSA-N 0 0 374.419 4.279 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000004728209 204159456 /nfs/dbraw/zinc/15/94/56/204159456.db2.gz KARFZLBAWUDXJD-KRWDZBQOSA-N 0 0 359.853 4.117 50 30 FIEARN Cc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(F)cc3)CC2=Nc2ncnn21 ZINC000004782819 204162940 /nfs/dbraw/zinc/16/29/40/204162940.db2.gz OYYMJMKWGYHMLF-YCRPNKLZSA-N 0 0 374.419 4.141 50 30 FIEARN N#Cc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 ZINC000004806374 204164897 /nfs/dbraw/zinc/16/48/97/204164897.db2.gz FFRTXVZSHXRLHD-UHFFFAOYSA-N 0 0 358.426 4.319 50 30 FIEARN CCO/C=N/c1c2cc3c(nc2sc1C(=O)OCC)CC(C)(C)OC3 ZINC000004819659 204166814 /nfs/dbraw/zinc/16/68/14/204166814.db2.gz LEPNEMXGWMDHDN-VXLYETTFSA-N 0 0 362.451 4.021 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000004312041 204130988 /nfs/dbraw/zinc/13/09/88/204130988.db2.gz DKBXFDQZINNKNM-IBGZPJMESA-N 0 0 374.371 4.004 50 30 FIEARN Cc1c2ccccc2oc1C(=O)ONC(=N)c1ccc(C(F)(F)F)cc1 ZINC000004336077 204134499 /nfs/dbraw/zinc/13/44/99/204134499.db2.gz LNFJGECRDGWTQY-UHFFFAOYSA-N 0 0 362.307 4.237 50 30 FIEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004409854 204138628 /nfs/dbraw/zinc/13/86/28/204138628.db2.gz JSSSSIRXRJUGAL-UHFFFAOYSA-N 0 0 362.345 4.368 50 30 FIEARN CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000004436135 204138920 /nfs/dbraw/zinc/13/89/20/204138920.db2.gz OIYBQEDEMLKQRG-HNNXBMFYSA-N 0 0 360.870 4.066 50 30 FIEARN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000005363358 204204147 /nfs/dbraw/zinc/20/41/47/204204147.db2.gz YMRLNSJPSFPTHU-WOJGMQOQSA-N 0 0 357.262 4.004 50 30 FIEARN N#Cc1ccc(-c2ccc(OCC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000005406557 204207384 /nfs/dbraw/zinc/20/73/84/204207384.db2.gz TWLGLDATOCDWJF-UHFFFAOYSA-N 0 0 371.392 4.258 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1 ZINC000004918581 204176184 /nfs/dbraw/zinc/17/61/84/204176184.db2.gz YNICVHFUYGBONU-CTNGQTDRSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccc(F)c1 ZINC000004920022 204176481 /nfs/dbraw/zinc/17/64/81/204176481.db2.gz TWYZRYFQAAGRHT-TZIWHRDSSA-N 0 0 352.405 4.453 50 30 FIEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004953997 204178997 /nfs/dbraw/zinc/17/89/97/204178997.db2.gz WNPGCBDPCABANT-NTEUORMPSA-N 0 0 359.794 4.140 50 30 FIEARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1 ZINC000005089146 204190284 /nfs/dbraw/zinc/19/02/84/204190284.db2.gz ZZNHTIDQVCSWDR-OAHLLOKOSA-N 0 0 367.474 4.200 50 30 FIEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000005642989 204219300 /nfs/dbraw/zinc/21/93/00/204219300.db2.gz KLLKFJWCALEYEY-BEFAXECRSA-N 0 0 365.502 4.245 50 30 FIEARN N#Cc1ccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000005108980 204191572 /nfs/dbraw/zinc/19/15/72/204191572.db2.gz MGOGPDKFUIGGFZ-UHFFFAOYSA-N 0 0 370.452 4.209 50 30 FIEARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005124204 204193340 /nfs/dbraw/zinc/19/33/40/204193340.db2.gz WRYUFOKEOTWUFL-JOBJLJCHSA-N 0 0 350.330 4.333 50 30 FIEARN N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000005116828 204193687 /nfs/dbraw/zinc/19/36/87/204193687.db2.gz YZSHIUALBARBJE-NRFANRHFSA-N 0 0 366.424 4.148 50 30 FIEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005302603 204201731 /nfs/dbraw/zinc/20/17/31/204201731.db2.gz QUAKICSHPSUQHK-LAUBAEHRSA-N 0 0 356.429 4.002 50 30 FIEARN CNC(=S)N(C1=NC[C@@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000005688905 204221090 /nfs/dbraw/zinc/22/10/90/204221090.db2.gz XRBFZUAQWBIEEZ-HNNXBMFYSA-N 0 0 372.475 4.161 50 30 FIEARN O=S(=O)(N/C(=N/c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000006155492 204239532 /nfs/dbraw/zinc/23/95/32/204239532.db2.gz JKJNXXSEWNUGNI-UHFFFAOYSA-N 0 0 370.861 4.397 50 30 FIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000006420723 204248436 /nfs/dbraw/zinc/24/84/36/204248436.db2.gz FDCKLLAKJQNSCV-HXUWFJFHSA-N 0 0 370.408 4.173 50 30 FIEARN COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C#N ZINC000006640254 204256861 /nfs/dbraw/zinc/25/68/61/204256861.db2.gz SGGAQWFGZSSIHE-UHFFFAOYSA-N 0 0 369.833 4.335 50 30 FIEARN CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000006677834 204260957 /nfs/dbraw/zinc/26/09/57/204260957.db2.gz CFGVPMYXISUWMY-OAHLLOKOSA-N 0 0 374.897 4.312 50 30 FIEARN O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819494 204273415 /nfs/dbraw/zinc/27/34/15/204273415.db2.gz PBBIXQVGJHKPFN-CJNGLKHVSA-N 0 0 369.823 4.483 50 30 FIEARN O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819496 204273803 /nfs/dbraw/zinc/27/38/03/204273803.db2.gz PBBIXQVGJHKPFN-CZUORRHYSA-N 0 0 369.823 4.483 50 30 FIEARN N#Cc1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCCC2 ZINC000008320737 204326680 /nfs/dbraw/zinc/32/66/80/204326680.db2.gz DQZNAOLIAAGNLE-HNNXBMFYSA-N 0 0 371.531 4.336 50 30 FIEARN COc1ccccc1/C=C/c1nc(C#N)c(N2CCc3ccccc3C2)o1 ZINC000008495848 204332317 /nfs/dbraw/zinc/33/23/17/204332317.db2.gz JZLXXJNLCNMCMF-ZHACJKMWSA-N 0 0 357.413 4.288 50 30 FIEARN CCOc1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)ccc1O ZINC000008659720 204337908 /nfs/dbraw/zinc/33/79/08/204337908.db2.gz XDWDEOXHDXJCGN-LSHDLFTRSA-N 0 0 368.462 4.120 50 30 FIEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 ZINC000008990265 204351651 /nfs/dbraw/zinc/35/16/51/204351651.db2.gz HSEGDYOTYNYWKK-UNOMPAQXSA-N 0 0 351.446 4.368 50 30 FIEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000009264209 204360956 /nfs/dbraw/zinc/36/09/56/204360956.db2.gz 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/nfs/dbraw/zinc/20/36/61/205203661.db2.gz IDQGDKXVVPEECR-ZHACJKMWSA-N 0 0 352.415 4.007 50 30 FIEARN N#Cc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000060944132 205284920 /nfs/dbraw/zinc/28/49/20/205284920.db2.gz OWQYBORWDJDWEW-UHFFFAOYSA-N 0 0 370.499 4.444 50 30 FIEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000063412504 205293187 /nfs/dbraw/zinc/29/31/87/205293187.db2.gz KCGXYZWCQLQXCE-RMKNXTFCSA-N 0 0 358.357 4.158 50 30 FIEARN Cc1nc(-c2ccc(C#N)cc2)n(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000058438247 205275768 /nfs/dbraw/zinc/27/57/68/205275768.db2.gz WWJUDPBQYJYDPI-JOCHJYFZSA-N 0 0 369.472 4.235 50 30 FIEARN COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c1O ZINC000059116457 205279935 /nfs/dbraw/zinc/27/99/35/205279935.db2.gz SEWDMGSMEDDICU-NVNXTCNLSA-N 0 0 374.849 4.254 50 30 FIEARN O=c1[nH][nH]c2c1[C@@H](c1c(F)cccc1Cl)C1=C(N2)c2ccccc2C1=O ZINC000018196142 220228015 /nfs/dbraw/zinc/22/80/15/220228015.db2.gz GORHZSNFURHHTC-ZDUSSCGKSA-N 0 0 367.767 4.073 50 30 FIEARN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200787 220228084 /nfs/dbraw/zinc/22/80/84/220228084.db2.gz CFXVDCWPURRYCX-HWPZZCPQSA-N 0 0 367.430 4.036 50 30 FIEARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000018200466 220228248 /nfs/dbraw/zinc/22/82/48/220228248.db2.gz PRYANPJREGJBNM-IBGZPJMESA-N 0 0 353.393 4.407 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000097104940 205897248 /nfs/dbraw/zinc/89/72/48/205897248.db2.gz WPKXKKMHTUJEPI-TZIWHRDSSA-N 0 0 368.404 4.154 50 30 FIEARN Cc1nc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cs1 ZINC000002217344 206153571 /nfs/dbraw/zinc/15/35/71/206153571.db2.gz ZSEKGKSKPDFLHU-VQTJNVASSA-N 0 0 351.427 4.353 50 30 FIEARN O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1cccc2ccccc21 ZINC000002352107 206153822 /nfs/dbraw/zinc/15/38/22/206153822.db2.gz NDKRJUVLNMSXON-OSWVXBLQSA-N 0 0 359.454 4.305 50 30 FIEARN COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 ZINC000003245438 206158847 /nfs/dbraw/zinc/15/88/47/206158847.db2.gz PUVIFHVNGHOORD-UHFFFAOYSA-N 0 0 359.381 4.462 50 30 FIEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 ZINC000003323438 206159962 /nfs/dbraw/zinc/15/99/62/206159962.db2.gz SBBLEUVFEHJPGB-UHFFFAOYSA-N 0 0 350.447 4.138 50 30 FIEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](/C=C/c3ccccc3)C12 ZINC000004435957 206178238 /nfs/dbraw/zinc/17/82/38/206178238.db2.gz OBOPHFVPGNOROT-HMOMSXHPSA-N 0 0 374.469 4.420 50 30 FIEARN CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(C)cc1 ZINC000004386772 206174911 /nfs/dbraw/zinc/17/49/11/206174911.db2.gz HHOMBASTUISHBT-LZGZYFLISA-N 0 0 365.473 4.248 50 30 FIEARN O=[N+]([O-])c1cccc(-c2nc(C=NNc3ccccc3)c3ccccn32)c1 ZINC000004426635 206177600 /nfs/dbraw/zinc/17/76/00/206177600.db2.gz UHTNXWQQIQEFDL-KGENOOAVSA-N 0 0 357.373 4.356 50 30 FIEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](/C=C/c3ccccc3)C12 ZINC000005390575 206193508 /nfs/dbraw/zinc/19/35/08/206193508.db2.gz JCOWSASSMIDHRN-KALAYHLKSA-N 0 0 368.440 4.359 50 30 FIEARN CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)c(C#N)c1C ZINC000004570474 206179642 /nfs/dbraw/zinc/17/96/42/206179642.db2.gz YOQADQFUOXVWDY-UHFFFAOYSA-N 0 0 368.458 4.236 50 30 FIEARN CC1(C)CC(=O)[C@@H](C[C@H]2COC(C)(C)CC2N=Nc2ccccc2)CO1 ZINC000012861427 206297358 /nfs/dbraw/zinc/29/73/58/206297358.db2.gz HPBUPLSCXWKXPB-SJBDXFSSSA-N 0 0 358.482 4.044 50 30 biogenic FIEARN N#Cc1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 ZINC000015644367 206315989 /nfs/dbraw/zinc/31/59/89/206315989.db2.gz QKFLWDKHINIFHV-UHFFFAOYSA-N 0 0 358.397 4.155 50 30 FIEARN C=CCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)c2cccnc21 ZINC000064929546 132305424 /nfs/dbraw/zinc/30/54/24/132305424.db2.gz FFNDTEVPCPYVMO-UHFFFAOYSA-N 0 0 362.355 4.145 50 30 FIEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccncc1 ZINC000004306571 132386662 /nfs/dbraw/zinc/38/66/62/132386662.db2.gz VWQCWAIYJQLVFU-UHFFFAOYSA-N 0 0 362.414 4.141 50 30 FIEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1N1CCOCC1 ZINC000020386015 132895903 /nfs/dbraw/zinc/89/59/03/132895903.db2.gz QHFHBNAQKMWIPI-UHFFFAOYSA-N 0 0 367.758 4.129 50 30 FIEARN N#Cc1c(N)nc2c(c1-c1ccoc1)CN(c1ccc(Cl)cc1)CC2 ZINC000072129225 136142123 /nfs/dbraw/zinc/14/21/23/136142123.db2.gz DPGBGADCLQHTKO-UHFFFAOYSA-N 0 0 350.809 4.012 50 30 FIEARN COc1cc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000002222123 263145025 /nfs/dbraw/zinc/14/50/25/263145025.db2.gz SNHJNGSEGCCYBY-QHKWOANTSA-N 0 0 367.445 4.074 50 30 biogenic FIEARN COc1ccccc1N(CCC#N)C(=O)CSc1ccc(Cl)cc1 ZINC000002623882 263145549 /nfs/dbraw/zinc/14/55/49/263145549.db2.gz OHWGWBWEFHWMOQ-UHFFFAOYSA-N 0 0 360.866 4.388 50 30 FIEARN C=CCn1c2ccccc2c2nnc(SCCOc3ccccc3)nc21 ZINC000004623003 263334693 /nfs/dbraw/zinc/33/46/93/263334693.db2.gz OSHDRDQLPHQWJJ-UHFFFAOYSA-N 0 0 362.458 4.337 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCCC1 ZINC000006743944 263346412 /nfs/dbraw/zinc/34/64/12/263346412.db2.gz RWKVXQPMUPNIEY-UHFFFAOYSA-N 0 0 374.872 4.420 50 30 FIEARN C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012023639 263368786 /nfs/dbraw/zinc/36/87/86/263368786.db2.gz NUQSWDYGXYASSC-SFHVURJKSA-N 0 0 366.436 4.246 50 30 FIEARN C#CC(CC)(CC)NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000018224045 263373371 /nfs/dbraw/zinc/37/33/71/263373371.db2.gz XUJHBWHAZUFCHS-UHFFFAOYSA-N 0 0 352.912 4.350 50 30 FIEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2F)o1 ZINC000030851942 263391107 /nfs/dbraw/zinc/39/11/07/263391107.db2.gz QMFIFHJHHJEDEU-SREVYHEPSA-N 0 0 358.344 4.075 50 30 FIEARN CCCC(=O)Nc1ccc(-c2csc(N=NCc3ccncc3)n2)cc1 ZINC000031904623 263392261 /nfs/dbraw/zinc/39/22/61/263392261.db2.gz ODQKSIYNQROGSR-MTJSOVHGSA-N 0 0 365.462 4.390 50 30 FIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C=Cc1cccc(C(F)(F)F)c1 ZINC000033562637 263396461 /nfs/dbraw/zinc/39/64/61/263396461.db2.gz QPNBWJGTQQRSQE-KVPUOBJLSA-N 0 0 369.346 4.482 50 30 FIEARN C=C(C)COc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009877866 518620670 /nfs/dbraw/zinc/62/06/70/518620670.db2.gz UZPFIPBSHGMOKJ-IBGZPJMESA-N 0 0 367.445 4.452 50 30 FIEARN C=CCN(Cc1cccs1)C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000032722599 518790713 /nfs/dbraw/zinc/79/07/13/518790713.db2.gz QQTDFIXAYTUOIB-AATRIKPKSA-N 0 0 361.850 4.358 50 30 FIEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)NCC ZINC000036115211 518796301 /nfs/dbraw/zinc/79/63/01/518796301.db2.gz LNDFLIYEYBEUHR-UHFFFAOYSA-N 0 0 359.495 4.056 50 30 FIEARN C=CCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000027090812 518926192 /nfs/dbraw/zinc/92/61/92/518926192.db2.gz NNILXDODCJZCJJ-NSHDSACASA-N 0 0 373.478 4.280 50 30 FIEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc(CSc2ncccn2)o1 ZINC000055054467 519107731 /nfs/dbraw/zinc/10/77/31/519107731.db2.gz VMWUTZONQRIBKD-HUUCEWRRSA-N 0 0 355.463 4.097 50 30 FIEARN C=CCn1c(C)cc(C(=O)COc2cccc(NC(=O)OCC)c2)c1C ZINC000020866953 519169516 /nfs/dbraw/zinc/16/95/16/519169516.db2.gz PIFIMOXTUJIHCF-UHFFFAOYSA-N 0 0 356.422 4.121 50 30 FIEARN C=CCn1c2ccc(F)cc2sc1=NC(=O)Cc1cc(C)ccc1C ZINC000100987549 519262742 /nfs/dbraw/zinc/26/27/42/519262742.db2.gz HMMHEOGXFNVGBJ-XDOYNYLZSA-N 0 0 354.450 4.315 50 30 FIEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000005619039 519269058 /nfs/dbraw/zinc/26/90/58/519269058.db2.gz NMBNIKXTGABCEE-AWEZNQCLSA-N 0 0 362.458 4.213 50 30 FIEARN C=CCn1cnnc1S[C@H](C)C(=O)N(CC)c1cccc2ccccc21 ZINC000007736954 519286463 /nfs/dbraw/zinc/28/64/63/519286463.db2.gz NVLUSIYLLPAWIH-OAHLLOKOSA-N 0 0 366.490 4.151 50 30 FIEARN CC(C)CC(=O)O/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000003064141 519608411 /nfs/dbraw/zinc/60/84/11/519608411.db2.gz TYOYBADDLDFSBF-QOCHGBHMSA-N 0 0 370.836 4.180 50 30 FIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005858993 519747450 /nfs/dbraw/zinc/74/74/50/519747450.db2.gz QQLBCWNPZZSQKP-NVMNQCDNSA-N 0 0 372.804 4.287 50 30 FIEARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000254507933 519757317 /nfs/dbraw/zinc/75/73/17/519757317.db2.gz SUCNAJORKZIPDF-PQELXKSKSA-N 0 0 372.505 4.265 50 30 FIEARN CC(C)c1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc21 ZINC000014355874 519831072 /nfs/dbraw/zinc/83/10/72/519831072.db2.gz CEHQFZNNQRNSEB-UHFFFAOYSA-N 0 0 365.429 4.494 50 30 FIEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)CCCC1=O ZINC000100148064 519905305 /nfs/dbraw/zinc/90/53/05/519905305.db2.gz GLTKEBJUMHURNV-UHFFFAOYSA-N 0 0 352.478 4.375 50 30 FIEARN CCCOc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096765536 520325612 /nfs/dbraw/zinc/32/56/12/520325612.db2.gz AMKGVKVPSVWWGJ-WDZFZDKYSA-N 0 0 356.418 4.397 50 30 FIEARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 ZINC000005866841 520898645 /nfs/dbraw/zinc/89/86/45/520898645.db2.gz OERUSXVLIJADJO-HXUWFJFHSA-N 0 0 364.445 4.376 50 30 FIEARN CCN(CCC#N)c1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000096792162 520979390 /nfs/dbraw/zinc/97/93/90/520979390.db2.gz SMEOGYUCAXBQDR-BENRWUELSA-N 0 0 358.445 4.142 50 30 FIEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000009419696 521034874 /nfs/dbraw/zinc/03/48/74/521034874.db2.gz YBGQPJXIGPRYRA-HIPMGEKLSA-N 0 0 372.804 4.287 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccsc1 ZINC000015446568 521091391 /nfs/dbraw/zinc/09/13/91/521091391.db2.gz JGRLZEOGHJGDJL-HKUYNNGSSA-N 0 0 356.443 4.076 50 30 FIEARN CCc1nnc(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)s1 ZINC000024529323 522720785 /nfs/dbraw/zinc/72/07/85/522720785.db2.gz XLHKLOIPFCSJLR-UHFFFAOYSA-N 0 0 359.282 4.127 50 30 FIEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(C)C)cc2)cc1 ZINC000239203379 523257678 /nfs/dbraw/zinc/25/76/78/523257678.db2.gz SFXNYYXIFLHPKC-UHFFFAOYSA-N 0 0 352.463 4.248 50 30 FIEARN COc1ccc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC ZINC000096759039 523435807 /nfs/dbraw/zinc/43/58/07/523435807.db2.gz GLJXWAAPKFCAPJ-DAXSKMNVSA-N 0 0 364.344 4.210 50 30 FIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(OCC#N)cc1 ZINC000096792332 523492919 /nfs/dbraw/zinc/49/29/19/523492919.db2.gz ZSYBELIMHTUZJL-YWEYNIOJSA-N 0 0 372.218 4.256 50 30 FIEARN COc1ccc(NC=CC(=O)c2sc(-c3cccnc3)nc2C)cc1 ZINC000100364540 524378642 /nfs/dbraw/zinc/37/86/42/524378642.db2.gz PBJKTFNNNCSCRI-PKNBQFBNSA-N 0 0 351.431 4.331 50 30 FIEARN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1C ZINC000048309244 524896593 /nfs/dbraw/zinc/89/65/93/524896593.db2.gz CFVGIFAZOANBOI-HXUWFJFHSA-N 0 0 367.518 4.449 50 30 FIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000005927058 524897291 /nfs/dbraw/zinc/89/72/91/524897291.db2.gz ORHCSQPNSFFCRB-UHFFFAOYSA-N 0 0 364.474 4.219 50 30 FIEARN Cc1ccc(NC(=NCc2cccnc2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000015828083 525969301 /nfs/dbraw/zinc/96/93/01/525969301.db2.gz ZFAZTDCTUAKJAG-UHFFFAOYSA-N 0 0 372.472 4.214 50 30 FIEARN C[C@@H]1CCC(=CNCCCCCCNC=C2CC[C@H](C)CC2=O)C(=O)C1 ZINC000022588762 526230087 /nfs/dbraw/zinc/23/00/87/526230087.db2.gz JVPZUSSZOFCTNT-VRYRWIMXSA-N 0 0 360.542 4.272 50 30 FIEARN Cc1ccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1 ZINC000032876696 526237342 /nfs/dbraw/zinc/23/73/42/526237342.db2.gz ZOBRGCKASDNADJ-BKUYFWCQSA-N 0 0 363.457 4.341 50 30 FIEARN S=C1N=NC(c2cccnc2)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000001246356 526389555 /nfs/dbraw/zinc/38/95/55/526389555.db2.gz OPOMNLALNANNGC-LPYMAVHISA-N 0 0 373.441 4.303 50 30 FIEARN O=C(OC1=C(Sc2ccccc2[N+](=O)[O-])C(=O)CCC1)c1ccco1 ZINC000003177584 526414784 /nfs/dbraw/zinc/41/47/84/526414784.db2.gz DRQFTPSJMRGVNN-UHFFFAOYSA-N 0 0 359.359 4.102 50 30 FIEARN Cc1n[nH]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006056452 526481040 /nfs/dbraw/zinc/48/10/40/526481040.db2.gz OMUXJOYQDRNEOP-VXLYETTFSA-N 0 0 358.854 4.364 50 30 FIEARN N#Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000152494544 526653448 /nfs/dbraw/zinc/65/34/48/526653448.db2.gz DNHRNYLTHZHQOM-UHFFFAOYSA-N 0 0 355.825 4.287 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1cccc(O)c1)CC(=O)O3 ZINC000253413890 527126265 /nfs/dbraw/zinc/12/62/65/527126265.db2.gz VXPSNLRVOZLKOG-PMFHANACSA-N 0 0 374.348 4.042 50 30 biogenic FIEARN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ncnc4ccccc43)o2)cc1 ZINC000004536956 527341031 /nfs/dbraw/zinc/34/10/31/527341031.db2.gz IYXDZBBOJWJIIH-SSDVNMTOSA-N 0 0 359.345 4.244 50 30 FIEARN Cn1nccc1C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000096837319 527592442 /nfs/dbraw/zinc/59/24/42/527592442.db2.gz IMWRKBMZWYJHOT-SEYXRHQNSA-N 0 0 354.413 4.169 50 30 FIEARN Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O ZINC000252467293 527592459 /nfs/dbraw/zinc/59/24/59/527592459.db2.gz ANYSKZGJSBHZPP-QDOPHKGPSA-N 0 0 362.473 4.244 50 30 FIEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000096920218 527654764 /nfs/dbraw/zinc/65/47/64/527654764.db2.gz YQFZBYYYNACRBG-FLIBITNWSA-N 0 0 357.356 4.311 50 30 FIEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000096793752 527655152 /nfs/dbraw/zinc/65/51/52/527655152.db2.gz AFJSIELBGDNLCS-XGICHPGQSA-N 0 0 357.356 4.311 50 30 FIEARN FC(F)(F)c1cccc(/C=N/n2cnnc2SCc2ccccc2)c1 ZINC000003038104 527684900 /nfs/dbraw/zinc/68/49/00/527684900.db2.gz GTBVSMAITRAXEV-LSHDLFTRSA-N 0 0 362.380 4.471 50 30 FIEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCOCC1 ZINC000004115349 535140847 /nfs/dbraw/zinc/14/08/47/535140847.db2.gz MQEHCLYMJAHIML-UHFFFAOYSA-N 0 0 362.477 4.237 50 30 FIEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)CCCC1=O ZINC000001076668 560180346 /nfs/dbraw/zinc/18/03/46/560180346.db2.gz QWIAPPMKZSMNDT-UHFFFAOYSA-N 0 0 352.478 4.293 50 30 biogenic,in-vitro FIEARN Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000000726770 568134060 /nfs/dbraw/zinc/13/40/60/568134060.db2.gz MNAVBXAZJURASL-UHFFFAOYSA-N 0 0 361.264 4.308 50 30 FIEARN CCOc1ccccc1C(=O)Nc1cc(OCC)c(OCC)cc1C#N ZINC000000720779 568135025 /nfs/dbraw/zinc/13/50/25/568135025.db2.gz SDEXHIROVLDWIG-UHFFFAOYSA-N 0 0 354.406 4.007 50 30 FIEARN N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000831002 568317871 /nfs/dbraw/zinc/31/78/71/568317871.db2.gz OBEDQZOTSNVXBA-UHFFFAOYSA-N 0 0 361.810 4.312 50 30 FIEARN COc1ccccc1/C=N/c1ccc(NC(=O)c2ccco2)c(OC)c1 ZINC000000681005 570448920 /nfs/dbraw/zinc/44/89/20/570448920.db2.gz BCABIVMXSFWQSO-FYJGNVAPSA-N 0 0 350.374 4.300 50 30 FIEARN COc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1OC ZINC000001006179 570470936 /nfs/dbraw/zinc/47/09/36/570470936.db2.gz XSAIUJFIOGAUIT-UHFFFAOYSA-N 0 0 350.418 4.291 50 30 FIEARN Cc1ccc(C(=O)/C=C/S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001036778 570473618 /nfs/dbraw/zinc/47/36/18/570473618.db2.gz BZBZELKSOLWBSG-CMDGGOBGSA-N 0 0 355.242 4.472 50 30 FIEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000001169146 570486848 /nfs/dbraw/zinc/48/68/48/570486848.db2.gz VIURNWKJBJKPEJ-NRFANRHFSA-N 0 0 350.418 4.290 50 30 FIEARN CC(=O)N(c1cccc(Cl)c1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001179237 570488965 /nfs/dbraw/zinc/48/89/65/570488965.db2.gz ZHSLFIRGNUAONW-UHFFFAOYSA-N 0 0 360.196 4.223 50 30 FIEARN C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097957385 570496805 /nfs/dbraw/zinc/49/68/05/570496805.db2.gz HYSSZDTUULNWLC-UWTATZPHSA-N 0 0 364.101 4.106 50 30 FIEARN N#Cc1c(N)nc(-c2cc(F)cc(C(F)(F)F)c2)cc1-c1cccnc1 ZINC000071730655 570503577 /nfs/dbraw/zinc/50/35/77/570503577.db2.gz LTTJFIHXISIAGN-UHFFFAOYSA-N 0 0 358.298 4.422 50 30 FIEARN C=CCNC(=S)NNC(=S)N[C@@H](C)CCCCCCCCCCC ZINC000100731877 570507065 /nfs/dbraw/zinc/50/70/65/570507065.db2.gz XPDYXQKVBYSDFJ-INIZCTEOSA-N 0 0 372.648 4.325 50 30 FIEARN C=CCNC(=S)NNC(=S)N[C@H](C)CCCCCCCCCCC ZINC000100731879 570507362 /nfs/dbraw/zinc/50/73/62/570507362.db2.gz XPDYXQKVBYSDFJ-MRXNPFEDSA-N 0 0 372.648 4.325 50 30 FIEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 ZINC000101491506 570512555 /nfs/dbraw/zinc/51/25/55/570512555.db2.gz QKMNLFMDVFUPFI-NMWGTECJSA-N 0 0 360.413 4.387 50 30 FIEARN CCc1cc2c(ncnc2SCC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000014085279 570514388 /nfs/dbraw/zinc/51/43/88/570514388.db2.gz OYBWKWWMFZDTNB-UHFFFAOYSA-N 0 0 372.475 4.066 50 30 FIEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(F)c(Cl)c1 ZINC000003097731 570518729 /nfs/dbraw/zinc/51/87/29/570518729.db2.gz GRDJAJKKAOVBIX-UHFFFAOYSA-N 0 0 353.578 4.315 50 30 FIEARN C=CCn1c2nc3ccccc3nc2c2c1nc(CC)n([C@H](C)CC)c2=O ZINC000005030652 570576601 /nfs/dbraw/zinc/57/66/01/570576601.db2.gz XRNTXZNCCJZVOU-CYBMUJFWSA-N 0 0 361.449 4.014 50 30 FIEARN C=CCn1c2nc3ccccc3nc2c2c1nc(CC)n([C@@H](C)CC)c2=O ZINC000005030646 570576665 /nfs/dbraw/zinc/57/66/65/570576665.db2.gz XRNTXZNCCJZVOU-ZDUSSCGKSA-N 0 0 361.449 4.014 50 30 FIEARN CN(C)/C=N/C(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000146199882 570603269 /nfs/dbraw/zinc/60/32/69/570603269.db2.gz YTUUCAFBLKFHBE-HKOYGPOVSA-N 0 0 373.525 4.443 50 30 FIEARN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000329607999 570618256 /nfs/dbraw/zinc/61/82/56/570618256.db2.gz BLKXIDBWGHRVOF-ULFGMLNVSA-N 0 0 356.397 4.065 50 30 FIEARN COc1ccc(C(C)=NOC(=O)c2ccc(OC(C)C)cc2)cc1OC ZINC000252638894 570624435 /nfs/dbraw/zinc/62/44/35/570624435.db2.gz YGSZFENUBNJVOR-UHFFFAOYSA-N 0 0 357.406 4.072 50 30 FIEARN COc1ccc(Cl)cc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000008679813 570684691 /nfs/dbraw/zinc/68/46/91/570684691.db2.gz FEEZSFFIVPCRKY-UHFFFAOYSA-N 0 0 369.852 4.438 50 30 FIEARN Cc1cc(Oc2ccc(C(=O)N(C)C)cc2)n2c3ccccc3nc2c1C#N ZINC000097474502 570688057 /nfs/dbraw/zinc/68/80/57/570688057.db2.gz ITPZRJBXLGQGDY-UHFFFAOYSA-N 0 0 370.412 4.162 50 30 FIEARN Cc1nc2ccc(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)cc2o1 ZINC000329960740 570689980 /nfs/dbraw/zinc/68/99/80/570689980.db2.gz RUDPZZGRJUTVEV-IEBWSBKVSA-N 0 0 371.387 4.164 50 30 FIEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000014162661 570809224 /nfs/dbraw/zinc/80/92/24/570809224.db2.gz BBQCKTQZPSUFFD-QGZVFWFLSA-N 0 0 374.271 4.016 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccsc1 ZINC000015446565 570838542 /nfs/dbraw/zinc/83/85/42/570838542.db2.gz JGRLZEOGHJGDJL-MJGOQNOKSA-N 0 0 356.443 4.076 50 30 FIEARN C=CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)s1 ZINC000032916397 570858123 /nfs/dbraw/zinc/85/81/23/570858123.db2.gz KSQNKBVEUKQHMW-CQSZACIVSA-N 0 0 353.896 4.266 50 30 FIEARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCC#N ZINC000016948900 570863657 /nfs/dbraw/zinc/86/36/57/570863657.db2.gz LZPXQOYGIHAHBY-ATVHPVEESA-N 0 0 351.793 4.048 50 30 FIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000016956912 570863661 /nfs/dbraw/zinc/86/36/61/570863661.db2.gz QJMNLXGVZGRYKH-SFHVURJKSA-N 0 0 367.832 4.413 50 30 FIEARN O=C1Nc2ccc(Br)cc2C1=NN=c1ccc2ccccc2[nH]1 ZINC000017137723 570869324 /nfs/dbraw/zinc/86/93/24/570869324.db2.gz IBDGKFKZLHZGIH-UHFFFAOYSA-N 0 0 367.206 4.415 50 30 FIEARN CCOc1nc2c(c3ncnc(Cl)c3n2C)c(-c2ccccc2)c1C#N ZINC000017155184 570869732 /nfs/dbraw/zinc/86/97/32/570869732.db2.gz DOSBHZIEEXAJGK-UHFFFAOYSA-N 0 0 363.808 4.107 50 30 FIEARN N#Cc1c(COC(=O)C2(c3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000014852539 570870612 /nfs/dbraw/zinc/87/06/12/570870612.db2.gz DTBSJAUMKDVEHS-UHFFFAOYSA-N 0 0 350.805 4.239 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C ZINC000019535468 570891951 /nfs/dbraw/zinc/89/19/51/570891951.db2.gz XYYVUIYOOVGQSV-HXUWFJFHSA-N 0 0 369.461 4.005 50 30 FIEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2C(=O)OC)cc1 ZINC000044843044 570901284 /nfs/dbraw/zinc/90/12/84/570901284.db2.gz HRMXDMPWRIPZHT-BUHFOSPRSA-N 0 0 353.418 4.461 50 30 FIEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)cc1 ZINC000019833213 570904514 /nfs/dbraw/zinc/90/45/14/570904514.db2.gz OWZDQYCWIQKCCM-ZVHZXABRSA-N 0 0 361.411 4.166 50 30 FIEARN C=CCn1c2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2oc1=O ZINC000046010614 570918849 /nfs/dbraw/zinc/91/88/49/570918849.db2.gz AQBOCENJEOIFSG-UHFFFAOYSA-N 0 0 357.797 4.386 50 30 FIEARN Cc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)cc(C)c2)c1 ZINC000046128045 570927090 /nfs/dbraw/zinc/92/70/90/570927090.db2.gz CFNSMWHFXUSPDH-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1onc(-c2ccccc2)c1C(=O)OCc1cn2ccccc2c1C#N ZINC000048300205 570944234 /nfs/dbraw/zinc/94/42/34/570944234.db2.gz OMPIDEWZAOCKRH-UHFFFAOYSA-N 0 0 357.369 4.131 50 30 FIEARN CCC[N@H+](CC#Cc1ccccc1)Cc1c2cc(C)ccc2[nH]c1C(=O)[O-] ZINC000055242919 571058443 /nfs/dbraw/zinc/05/84/43/571058443.db2.gz YPBJCGWCYGACSL-UHFFFAOYSA-N 0 0 360.457 4.438 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc1C ZINC000046127371 571064689 /nfs/dbraw/zinc/06/46/89/571064689.db2.gz JCWXQVLPDFTJSN-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN Cn1c(Cl)c(Cl)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032963699 571074595 /nfs/dbraw/zinc/07/45/95/571074595.db2.gz UTGNWOYAQOUVPG-UHFFFAOYSA-N 0 0 370.239 4.379 50 30 FIEARN Cc1csc(C(C#N)C(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000040089617 571074742 /nfs/dbraw/zinc/07/47/42/571074742.db2.gz HNLSFXAZUWWZEG-KRWDZBQOSA-N 0 0 352.459 4.170 50 30 FIEARN CC(C)(C)OC(=O)Nc1cccc(OCCOc2ccc(C#N)cc2)c1 ZINC000084240852 571079812 /nfs/dbraw/zinc/07/98/12/571079812.db2.gz YUFPLQBSHDMAPH-UHFFFAOYSA-N 0 0 354.406 4.363 50 30 FIEARN CN1C=C(C(=O)C=Cc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000012389602 571082632 /nfs/dbraw/zinc/08/26/32/571082632.db2.gz MIKWRFPMQZNIBN-RRPUDGLYSA-N 0 0 370.811 4.342 50 30 FIEARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 ZINC000032996273 571084691 /nfs/dbraw/zinc/08/46/91/571084691.db2.gz BVQBAZAPLDNCNS-CYBMUJFWSA-N 0 0 361.405 4.195 50 30 FIEARN Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc(C)n1 ZINC000071810468 571088954 /nfs/dbraw/zinc/08/89/54/571088954.db2.gz QFVRHBQQIKYVJY-KFWWJZLASA-N 0 0 359.351 4.092 50 30 FIEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cc1ccc(Cl)cc1Cl ZINC000040162324 571089798 /nfs/dbraw/zinc/08/97/98/571089798.db2.gz QFAWUPPQJBJCHH-CYBMUJFWSA-N 0 0 358.228 4.299 50 30 FIEARN N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000301723495 571097285 /nfs/dbraw/zinc/09/72/85/571097285.db2.gz OGGZEUZKCOIUTL-KDOFPFPSSA-N 0 0 359.882 4.226 50 30 FIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1F ZINC000005388884 571102790 /nfs/dbraw/zinc/10/27/90/571102790.db2.gz KNONEUFPICLUAZ-UHFFFAOYSA-N 0 0 351.381 4.013 50 30 FIEARN C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1C ZINC000005093158 571102812 /nfs/dbraw/zinc/10/28/12/571102812.db2.gz XBMCZXJTRQTBRS-UHFFFAOYSA-N 0 0 368.437 4.152 50 30 FIEARN COc1ccc(C(=O)OCC#CCSc2nc3ccccc3s2)cc1 ZINC000007067674 571104334 /nfs/dbraw/zinc/10/43/34/571104334.db2.gz MFGJAUXHJMJWCV-UHFFFAOYSA-N 0 0 369.467 4.257 50 30 FIEARN Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 ZINC000013655209 571109955 /nfs/dbraw/zinc/10/99/55/571109955.db2.gz SPMIFYPHIJUSMU-ODLFYWEKSA-N 0 0 366.413 4.332 50 30 FIEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1O ZINC000072332398 571123425 /nfs/dbraw/zinc/12/34/25/571123425.db2.gz RCPMOXGTXWGMOY-SFHVURJKSA-N 0 0 368.433 4.288 50 30 FIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000001447768 571123891 /nfs/dbraw/zinc/12/38/91/571123891.db2.gz VIZGGIRUKRYCEQ-MRXNPFEDSA-N 0 0 361.445 4.142 50 30 FIEARN C=CCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000001777074 571124434 /nfs/dbraw/zinc/12/44/34/571124434.db2.gz ZKZFYCMBZBXUKS-UHFFFAOYSA-N 0 0 352.342 4.170 50 30 biogenic FIEARN C=CCOc1cccc(-c2nn3c(nnc3-c3cccc(OC)c3)s2)c1 ZINC000010311668 571124996 /nfs/dbraw/zinc/12/49/96/571124996.db2.gz JHRGZJBCIGUYME-UHFFFAOYSA-N 0 0 364.430 4.093 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 ZINC000000921360 571130281 /nfs/dbraw/zinc/13/02/81/571130281.db2.gz YBJMHOJAYIXUET-UHFFFAOYSA-N 0 0 351.446 4.482 50 30 FIEARN C=C(Br)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CC ZINC000015833715 571132630 /nfs/dbraw/zinc/13/26/30/571132630.db2.gz LDTCTFZYCBFYDU-HNNXBMFYSA-N 0 0 362.271 4.018 50 30 FIEARN C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000253617060 571135524 /nfs/dbraw/zinc/13/55/24/571135524.db2.gz RSBPOYAJCVXJON-NTHKZWHCSA-N 0 0 374.521 4.009 50 30 FIEARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000026121341 571140102 /nfs/dbraw/zinc/14/01/02/571140102.db2.gz OIUFJNXPFJWFEA-MRXNPFEDSA-N 0 0 369.424 4.302 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000012897942 571142868 /nfs/dbraw/zinc/14/28/68/571142868.db2.gz ICOMNOHISMNLTR-CYBMUJFWSA-N 0 0 359.385 4.488 50 30 FIEARN O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000001056191 571144390 /nfs/dbraw/zinc/14/43/90/571144390.db2.gz ZOODQONZQOFPIU-DNVCBOLYSA-N 0 0 365.414 4.234 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccs1 ZINC000001069796 571145213 /nfs/dbraw/zinc/14/52/13/571145213.db2.gz RJLPBDQDWXHEIA-UHFFFAOYSA-N 0 0 374.466 4.063 50 30 FIEARN CC(CNC(=O)COc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1 ZINC000012924048 571145656 /nfs/dbraw/zinc/14/56/56/571145656.db2.gz ZFLUHKKTXOGYOC-UHFFFAOYSA-N 0 0 370.452 4.059 50 30 FIEARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc2c(c1)OCCO2 ZINC000040139576 571185829 /nfs/dbraw/zinc/18/58/29/571185829.db2.gz GBEZOBMQCXIVKT-UXBLZVDNSA-N 0 0 373.408 4.328 50 30 FIEARN N#CCCN(CCC#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000012620402 571204036 /nfs/dbraw/zinc/20/40/36/571204036.db2.gz NNDRJAUOGCWNIV-MGAZVUHYSA-N 0 0 361.489 4.181 50 30 FIEARN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)o1 ZINC000033293969 571230827 /nfs/dbraw/zinc/23/08/27/571230827.db2.gz VGLVBXUMPRBHRQ-RVDMUPIBSA-N 0 0 359.426 4.157 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1cccs1 ZINC000097104900 571231704 /nfs/dbraw/zinc/23/17/04/571231704.db2.gz QDMBWRLRWCBGRO-FXAWDEMLSA-N 0 0 369.486 4.133 50 30 FIEARN C=C(C)COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC ZINC000060791227 571237138 /nfs/dbraw/zinc/23/71/38/571237138.db2.gz SZWCPGSRFRKMKC-NRFANRHFSA-N 0 0 364.445 4.379 50 30 FIEARN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000006656658 571239571 /nfs/dbraw/zinc/23/95/71/571239571.db2.gz UGASFYDJQTYDKA-LJQANCHMSA-N 0 0 366.465 4.115 50 30 FIEARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 ZINC000006906259 571254119 /nfs/dbraw/zinc/25/41/19/571254119.db2.gz CYBBEYLHBKAKRH-UHFFFAOYSA-N 0 0 352.390 4.262 50 30 FIEARN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000065453223 571263469 /nfs/dbraw/zinc/26/34/69/571263469.db2.gz RTEQREYDHQIURS-HUUCEWRRSA-N 0 0 364.474 4.488 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(F)c1 ZINC000170618306 571268555 /nfs/dbraw/zinc/26/85/55/571268555.db2.gz XRAWKYVGSWGGLT-WIYYLYMNSA-N 0 0 368.404 4.154 50 30 FIEARN CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1 ZINC000089969436 571274609 /nfs/dbraw/zinc/27/46/09/571274609.db2.gz KOCYRGJVMPJIQU-UHFFFAOYSA-N 0 0 350.809 4.064 50 30 FIEARN COc1ccccc1C=Nc1ccc(NC(=O)c2ccco2)c(OC)c1 ZINC000252460034 571278897 /nfs/dbraw/zinc/27/88/97/571278897.db2.gz BCABIVMXSFWQSO-UHFFFAOYSA-N 0 0 350.374 4.300 50 30 FIEARN CC(CC(C)N=Nc1ccccc1[N+](=O)[O-])N=Nc1ccccc1[N+](=O)[O-] ZINC000252460795 571278981 /nfs/dbraw/zinc/27/89/81/571278981.db2.gz IGNJFVSTTNBUPM-UHFFFAOYSA-N 0 0 370.369 4.169 50 30 FIEARN COc1cc(C=NO)c(Br)cc1OCc1ccccc1Cl ZINC000252615101 571285965 /nfs/dbraw/zinc/28/59/65/571285965.db2.gz JOWOPESHAKPWCC-UHFFFAOYSA-N 0 0 370.630 4.498 50 30 FIEARN CCCOc1ccc(C(=O)ON=C(C)c2ccc(OC)c(OC)c2)cc1 ZINC000252617340 571286187 /nfs/dbraw/zinc/28/61/87/571286187.db2.gz KQUWFOOIOCRWDR-UHFFFAOYSA-N 0 0 357.406 4.074 50 30 FIEARN C=CCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 ZINC000002222662 571289984 /nfs/dbraw/zinc/28/99/84/571289984.db2.gz PCHOMSMTATVJKH-UHFFFAOYSA-N 0 0 360.508 4.031 50 30 FIEARN COc1cccc(/C=C2\SC(=Nc3cc(C)ccc3C)N(C)C2=O)c1O ZINC000252644137 571292077 /nfs/dbraw/zinc/29/20/77/571292077.db2.gz ZZTUVJGLSSRGDL-GIKHVEQZSA-N 0 0 368.458 4.251 50 30 FIEARN O=C(C(=NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000257347873 571311572 /nfs/dbraw/zinc/31/15/72/571311572.db2.gz XPODGHDVKKAUQP-UHFFFAOYSA-N 0 0 357.369 4.301 50 30 FIEARN Cc1c(C#N)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1 ZINC000000637348 571319100 /nfs/dbraw/zinc/31/91/00/571319100.db2.gz XYRROKQNAOUTEY-UHFFFAOYSA-N 0 0 368.234 4.223 50 30 FIEARN N#Cc1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000000636275 571319106 /nfs/dbraw/zinc/31/91/06/571319106.db2.gz XYYZVUXWQRLXQG-UHFFFAOYSA-N 0 0 354.200 4.334 50 30 FIEARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000649972 571319108 /nfs/dbraw/zinc/31/91/08/571319108.db2.gz HCVKEOMJMKJSJH-LLVKDONJSA-N 0 0 369.515 4.180 50 30 FIEARN Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NCc3cc(C4CC4)on3)c2)n1 ZINC000426389511 571322041 /nfs/dbraw/zinc/32/20/41/571322041.db2.gz UNOLMRKOCDRXRC-UHFFFAOYSA-N 0 0 372.428 4.033 50 30 FIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000012656612 571322607 /nfs/dbraw/zinc/32/26/07/571322607.db2.gz VUOXWYSHLSLTID-CCSDVLNMSA-N 0 0 352.474 4.486 50 30 biogenic FIEARN C#C[C@@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000328589312 571323500 /nfs/dbraw/zinc/32/35/00/571323500.db2.gz BIEZYZJOOMZBFF-CQSZACIVSA-N 0 0 358.463 4.098 50 30 FIEARN CC(=O)Nc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000021203156 571333683 /nfs/dbraw/zinc/33/36/83/571333683.db2.gz PJFTWNFGAITJJF-UHFFFAOYSA-N 0 0 369.424 4.114 50 30 FIEARN Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1\Cc2c(cccc2O)C1=O ZINC000096297950 571335156 /nfs/dbraw/zinc/33/51/56/571335156.db2.gz SVSULUSRJXWUEG-MDWZMJQESA-N 0 0 366.367 4.295 50 30 FIEARN Cc1cccc(NC(=S)N/N=C/c2cccn2Cc2ccccc2F)c1 ZINC000003587106 571351367 /nfs/dbraw/zinc/35/13/67/571351367.db2.gz WUHKDDBUESXSCW-LPYMAVHISA-N 0 0 366.465 4.304 50 30 FIEARN COc1ccc([C@H]2CCCCCN2C(=O)COc2ccccc2C#N)cc1 ZINC000008231934 571359998 /nfs/dbraw/zinc/35/99/98/571359998.db2.gz MACMXYKODKIMOA-HXUWFJFHSA-N 0 0 364.445 4.090 50 30 FIEARN COc1ccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000096973216 1082849834 /nfs/dbraw/zinc/84/98/34/1082849834.db2.gz NWBXCODLELSDCV-CKOAPEAFSA-N 0 0 351.358 4.139 50 30 FIEARN CSC(=S)NN=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000002667887 1086469194 /nfs/dbraw/zinc/46/91/94/1086469194.db2.gz IWTWBPVLQKKSGR-UHFFFAOYSA-N 0 0 360.895 4.226 50 30 FIEARN Cn1c2ccccc2sc1=NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000256007528 1088447642 /nfs/dbraw/zinc/44/76/42/1088447642.db2.gz VSPXPZXDDLJRPS-VBIUXMJJSA-N 0 0 362.502 4.438 50 30 FIEARN Cc1ccc2c(c1)S/C(=C\c1cn(CCC#N)nc1-c1ccncc1)C2=O ZINC000328593148 1089489735 /nfs/dbraw/zinc/48/97/35/1089489735.db2.gz JQFGQYZBQMDIKZ-UNOMPAQXSA-N 0 0 372.453 4.497 50 30 FIEARN CC1(C)c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2NC1=O ZINC000328901270 1090031440 /nfs/dbraw/zinc/03/14/40/1090031440.db2.gz YWPFRHVHFZIFPF-FXAWDEMLSA-N 0 0 373.456 4.478 50 30 FIEARN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000329276430 1090334428 /nfs/dbraw/zinc/33/44/28/1090334428.db2.gz KHOOFYIGGCGTHG-LJQANCHMSA-N 0 0 368.456 4.278 50 30 FIEARN Cn1cc(C2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)CC2)cn1 ZINC000329289808 1090352414 /nfs/dbraw/zinc/35/24/14/1090352414.db2.gz AIEIZQBIIJXJHQ-UHFFFAOYSA-N 0 0 373.526 4.349 50 30 FIEARN Cc1ocnc1C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000329331954 1090402434 /nfs/dbraw/zinc/40/24/34/1090402434.db2.gz WKHIPLXOHUFXCT-UHFFFAOYSA-N 0 0 355.257 4.234 50 30 FIEARN C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2cc(C)n[nH]2)C1)c1ccc(F)c(F)c1 ZINC000332107373 1091705407 /nfs/dbraw/zinc/70/54/07/1091705407.db2.gz ACOJGDJOGQOJTC-HNAYVOBHSA-N 0 0 374.435 4.203 50 30 FIEARN CCc1noc(C)c1C(=O)N1C[C@H](C)SC1=Nc1ccc(Cl)cc1 ZINC000032716889 1121417574 /nfs/dbraw/zinc/41/75/74/1121417574.db2.gz SNBJSHHYSYTFAL-JTQLQIEISA-N 0 0 363.870 4.464 50 30 FIEARN CN(C)c1ccc(-n2cccc2C=Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000252635026 1124953827 /nfs/dbraw/zinc/95/38/27/1124953827.db2.gz WTKKAWLKEIJKMR-UHFFFAOYSA-N 0 0 374.488 4.131 50 30 FIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000001058682 219360795 /nfs/dbraw/zinc/36/07/95/219360795.db2.gz CDOBKEPDCHOTLR-HXUWFJFHSA-N 0 0 351.446 4.140 50 30 FIEARN COc1cccc(Cl)c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000225794876 209836047 /nfs/dbraw/zinc/83/60/47/209836047.db2.gz SAKFTNZWIQBJMZ-UHFFFAOYSA-N 0 0 359.212 4.237 50 30 FIEARN CC(C)OC(=O)CSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 ZINC000001087739 219367370 /nfs/dbraw/zinc/36/73/70/219367370.db2.gz BYJMITRGJOUKAS-CQSZACIVSA-N 0 0 356.491 4.309 50 30 FIEARN C=CCN1C(=O)/C(=C\C(=O)c2ccc(Br)s2)c2ccccc21 ZINC000001115614 219372781 /nfs/dbraw/zinc/37/27/81/219372781.db2.gz BAXNWONAFUTGCE-BENRWUELSA-N 0 0 374.259 4.310 50 30 FIEARN CN(CC#N)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000225531352 209816882 /nfs/dbraw/zinc/81/68/82/209816882.db2.gz IHAXGCFWPKOERD-ICFOKQHNSA-N 0 0 353.425 4.317 50 30 FIEARN Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccccc2C#N)c1 ZINC000023143029 209707539 /nfs/dbraw/zinc/70/75/39/209707539.db2.gz FTRLIPUAHKUFQO-UHFFFAOYSA-N 0 0 356.425 4.479 50 30 FIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 ZINC000217675671 209659275 /nfs/dbraw/zinc/65/92/75/209659275.db2.gz BQSZJAIQWATNHC-OAHLLOKOSA-N 0 0 350.370 4.005 50 30 biogenic FIEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000101324172 209610593 /nfs/dbraw/zinc/61/05/93/209610593.db2.gz YPPRWMBYFGMSST-INIZCTEOSA-N 0 0 356.426 4.367 50 30 FIEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 ZINC000005519992 219686420 /nfs/dbraw/zinc/68/64/20/219686420.db2.gz URNKIDGGWCARSE-AQTBWJFISA-N 0 0 351.475 4.207 50 30 FIEARN N#Cc1cccc(OCCCSCc2csc(-c3ncccn3)n2)c1 ZINC000170668119 209553016 /nfs/dbraw/zinc/55/30/16/209553016.db2.gz UYCSJYAWFXGUSH-UHFFFAOYSA-N 0 0 368.487 4.174 50 30 FIEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2NCc2ccco2)cc1 ZINC000100815173 209484195 /nfs/dbraw/zinc/48/41/95/209484195.db2.gz AZGWDGMBQMRETN-OEAKJJBVSA-N 0 0 372.428 4.267 50 30 FIEARN CCOC(OCC)c1ccc(C(=O)[C@H]2O[C@@H]2c2ccc(Cl)cc2)o1 ZINC000003168014 209398781 /nfs/dbraw/zinc/39/87/81/209398781.db2.gz OLQGSWFGXHFFAW-IAGOWNOFSA-N 0 0 350.798 4.327 50 30 FIEARN CCOC(OCC)c1ccc(C(=O)[C@@H]2O[C@@H]2c2ccc(Cl)cc2)o1 ZINC000003168013 209398844 /nfs/dbraw/zinc/39/88/44/209398844.db2.gz OLQGSWFGXHFFAW-SJORKVTESA-N 0 0 350.798 4.327 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OCc1ccccc1F ZINC000002873578 209398611 /nfs/dbraw/zinc/39/86/11/209398611.db2.gz IAVDHYOCQHDPNG-UHFFFAOYSA-N 0 0 350.187 4.438 50 30 FIEARN C=CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)c(OCC=C)c1 ZINC000002080953 209394407 /nfs/dbraw/zinc/39/44/07/209394407.db2.gz VYEOLPVPYJQFRN-XMHGGMMESA-N 0 0 361.397 4.161 50 30 FIEARN CSC(=S)N/N=C/c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000001448699 209392666 /nfs/dbraw/zinc/39/26/66/209392666.db2.gz IWTWBPVLQKKSGR-VCHYOVAHSA-N 0 0 360.895 4.226 50 30 FIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1C ZINC000226757226 209368724 /nfs/dbraw/zinc/36/87/24/209368724.db2.gz SWIJQIWLIYQYSS-DYYXWGBJSA-N 0 0 361.489 4.460 50 30 FIEARN CCOc1cc(C#N)ccc1OCc1ccc(F)c(Br)c1 ZINC000048022493 209330756 /nfs/dbraw/zinc/33/07/56/209330756.db2.gz GNKDTKWNBGZZHA-UHFFFAOYSA-N 0 0 350.187 4.438 50 30 FIEARN Oc1ccc(Br)cc1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 ZINC000100827142 209218907 /nfs/dbraw/zinc/21/89/07/209218907.db2.gz IUTUYKAZMWANOF-OVCCHQLFSA-N 0 0 357.211 4.484 50 30 FIEARN CCOC(=O)c1c(C)c(C)sc1NC(C)=C1C(=O)c2ccccc2C1=O ZINC000100604497 209214560 /nfs/dbraw/zinc/21/45/60/209214560.db2.gz WLHODTXWRSKOHR-UHFFFAOYSA-N 0 0 369.442 4.307 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1 ZINC000100353131 209213768 /nfs/dbraw/zinc/21/37/68/209213768.db2.gz CWFPVUQTQRHKSR-HOOMGSECSA-N 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ZINC000028182766 206811188 /nfs/dbraw/zinc/81/11/88/206811188.db2.gz XSGXXILLIVRHAH-FBHDLOMBSA-N 0 0 374.396 4.188 50 30 FIEARN CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1cc(Cl)ccc1C#N ZINC000156779317 206811794 /nfs/dbraw/zinc/81/17/94/206811794.db2.gz LOJLRHWMJOUKGW-UHFFFAOYSA-N 0 0 371.227 4.327 50 30 FIEARN COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000941489 206848561 /nfs/dbraw/zinc/84/85/61/206848561.db2.gz VYFBYEKVJJTKFT-FROQITRMSA-N 0 0 352.459 4.405 50 30 FIEARN CN(C)c1ccc(C=NOC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000001042744 206857152 /nfs/dbraw/zinc/85/71/52/206857152.db2.gz RPKRKALGXXYLES-SRZZPIQSSA-N 0 0 351.328 4.354 50 30 FIEARN CCOc1ccc(Br)c(/C=C2\N=C(SC)SC2=O)c1 ZINC000001168982 206863849 /nfs/dbraw/zinc/86/38/49/206863849.db2.gz RLVHCLQHKJOZSW-XFFZJAGNSA-N 0 0 358.282 4.181 50 30 FIEARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C#N)c1C ZINC000001965049 206898793 /nfs/dbraw/zinc/89/87/93/206898793.db2.gz SWEZANBINSURMA-RMKNXTFCSA-N 0 0 374.849 4.410 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000002796125 206936035 /nfs/dbraw/zinc/93/60/35/206936035.db2.gz BUIKTQMNMSUBPR-FQEVSTJZSA-N 0 0 353.462 4.306 50 30 FIEARN N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000002729646 206930205 /nfs/dbraw/zinc/93/02/05/206930205.db2.gz AYHZLOHJBKZEOH-UHFFFAOYSA-N 0 0 369.446 4.368 50 30 FIEARN O=S(=O)(O[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000003119014 206958721 /nfs/dbraw/zinc/95/87/21/206958721.db2.gz KWEPQVNSZOSHJQ-CQSZACIVSA-N 0 0 364.772 4.219 50 30 FIEARN N#CCSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003344313 206971927 /nfs/dbraw/zinc/97/19/27/206971927.db2.gz TXYQJDBZDXEXPQ-UHFFFAOYSA-N 0 0 361.348 4.020 50 30 FIEARN CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000003901720 206993872 /nfs/dbraw/zinc/99/38/72/206993872.db2.gz XKRMVENCJIRIED-FQEVSTJZSA-N 0 0 353.462 4.169 50 30 FIEARN Cc1ccc2cc(/C=N/NC(=S)NC3CCCCC3)c(Cl)nc2c1 ZINC000004210356 207008007 /nfs/dbraw/zinc/00/80/07/207008007.db2.gz XIOCWZDMJBQESB-RGVLZGJSSA-N 0 0 360.914 4.327 50 30 FIEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)cc1 ZINC000004524045 207025292 /nfs/dbraw/zinc/02/52/92/207025292.db2.gz YWIBXXPZMVSACY-LDADJPATSA-N 0 0 368.458 4.374 50 30 FIEARN Cc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000004566233 207029531 /nfs/dbraw/zinc/02/95/31/207029531.db2.gz BCFABEYGNAQAEK-HXUWFJFHSA-N 0 0 371.392 4.222 50 30 FIEARN CCOC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N ZINC000004794715 207049592 /nfs/dbraw/zinc/04/95/92/207049592.db2.gz RVIGDJGJFWSZQD-UHFFFAOYSA-N 0 0 356.491 4.076 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(F)cc1 ZINC000004918237 207062602 /nfs/dbraw/zinc/06/26/02/207062602.db2.gz CXPLUBJPEDDDSZ-PZJWPPBQSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(F)c1 ZINC000004918233 207062715 /nfs/dbraw/zinc/06/27/15/207062715.db2.gz ZZDMYNIDQBXGJC-CTNGQTDRSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000004918258 207062794 /nfs/dbraw/zinc/06/27/94/207062794.db2.gz CXPLUBJPEDDDSZ-CTNGQTDRSA-N 0 0 368.404 4.154 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1C ZINC000004918536 207062809 /nfs/dbraw/zinc/06/28/09/207062809.db2.gz SSMJQMMCCGUIIP-CTNGQTDRSA-N 0 0 352.405 4.453 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 ZINC000004918485 207062955 /nfs/dbraw/zinc/06/29/55/207062955.db2.gz HFUFUUQCFHQVCX-UYAOXDASSA-N 0 0 356.368 4.284 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(F)cc1 ZINC000004919212 207063193 /nfs/dbraw/zinc/06/31/93/207063193.db2.gz MTMRFZDDSPMDJN-CTNGQTDRSA-N 0 0 368.404 4.154 50 30 FIEARN O=[N+]([O-])c1ccc(N=NC(c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004947422 207065537 /nfs/dbraw/zinc/06/55/37/207065537.db2.gz MBSZXUYPWLESKZ-HTXNQAPBSA-N 0 0 368.374 4.429 50 30 FIEARN Cc1[nH]c(=O)c(C(=O)/C=C/c2ccc(Br)cc2)c2c1CCCC2 ZINC000004954975 207066759 /nfs/dbraw/zinc/06/67/59/207066759.db2.gz DXDJIRIHUSYMAH-DHZHZOJOSA-N 0 0 372.262 4.221 50 30 FIEARN COc1ccc(CN=Nc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000004992008 207069211 /nfs/dbraw/zinc/06/92/11/207069211.db2.gz KLBVDHJPUZDKEL-RGVLZGJSSA-N 0 0 352.463 4.333 50 30 FIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000004916166 207061696 /nfs/dbraw/zinc/06/16/96/207061696.db2.gz SDEWVBYMLBVFSO-JKSUJKDBSA-N 0 0 351.471 4.315 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004919968 207062048 /nfs/dbraw/zinc/06/20/48/207062048.db2.gz HZIDTNRPWCDAIC-IFMALSPDSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(F)c1 ZINC000004918218 207062123 /nfs/dbraw/zinc/06/21/23/207062123.db2.gz ZZDMYNIDQBXGJC-FPOVZHCZSA-N 0 0 368.404 4.154 50 30 FIEARN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 ZINC000005043288 207075071 /nfs/dbraw/zinc/07/50/71/207075071.db2.gz FZJXEPBOAWRULT-MFKUBSTISA-N 0 0 364.408 4.427 50 30 FIEARN Clc1cccc(Cl)c1C=N[N-]c1nc2nc3ccccc3c-2[nH][nH+]1 ZINC000004996137 207070882 /nfs/dbraw/zinc/07/08/82/207070882.db2.gz OKHFFZKVALYHCF-UFWORHAWSA-N 0 0 357.204 4.259 50 30 FIEARN COc1ccc(C=NNc2cccc3cccnc32)cc1Br ZINC000005008900 207071544 /nfs/dbraw/zinc/07/15/44/207071544.db2.gz HCKMZOBPCAVAQG-RGVLZGJSSA-N 0 0 356.223 4.452 50 30 FIEARN CC[C@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/OC)C1 ZINC000005197159 207086497 /nfs/dbraw/zinc/08/64/97/207086497.db2.gz ZTUGOPPWZDJEOW-CRPJYIMTSA-N 0 0 360.255 4.229 50 30 FIEARN COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000005069268 207079168 /nfs/dbraw/zinc/07/91/68/207079168.db2.gz USQVKHNFEYKEHJ-FNORWQNLSA-N 0 0 362.179 4.262 50 30 FIEARN Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)c(C#N)c(C)c1C ZINC000005089153 207080203 /nfs/dbraw/zinc/08/02/03/207080203.db2.gz YDUGLMLFDFZHEE-IBGZPJMESA-N 0 0 365.502 4.164 50 30 FIEARN O=C(/C=C/c1ccc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000005129794 207083750 /nfs/dbraw/zinc/08/37/50/207083750.db2.gz DQXXEKSSQRNMST-DUXPYHPUSA-N 0 0 351.221 4.178 50 30 FIEARN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=[NH+][N-]c1ccccn1 ZINC000005128425 207083990 /nfs/dbraw/zinc/08/39/90/207083990.db2.gz ILTMGDLQKKFQME-XQNSMLJCSA-N 0 0 360.465 4.012 50 30 FIEARN O=C1c2ccccc2C(=O)C(Nc2ccc(Br)cc2)=C1Cl ZINC000005332139 207094519 /nfs/dbraw/zinc/09/45/19/207094519.db2.gz WUYIRRKSTKAYQQ-UHFFFAOYSA-N 0 0 362.610 4.391 50 30 FIEARN O=S1(=O)CCC(=NNc2ccc(Cl)c(Cl)c2)c2ccsc21 ZINC000005670771 207110287 /nfs/dbraw/zinc/11/02/87/207110287.db2.gz BGCAVNMAXWRIFS-SFQUDFHCSA-N 0 0 361.275 4.049 50 30 FIEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000005642986 207110537 /nfs/dbraw/zinc/11/05/37/207110537.db2.gz KLLKFJWCALEYEY-KXBFYZLASA-N 0 0 365.502 4.245 50 30 FIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000005562349 207106663 /nfs/dbraw/zinc/10/66/63/207106663.db2.gz JHZXCXSMDSAGSN-KRWDZBQOSA-N 0 0 353.805 4.104 50 30 FIEARN O=S1(=O)CCC(=NNc2ccc(Cl)cc2Cl)c2ccsc21 ZINC000005749462 207114750 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COc1ccccc1N1CCN(/N=C\c2cccc(Cl)c2Cl)CC1 ZINC000004892941 537062536 /nfs/dbraw/zinc/06/25/36/537062536.db2.gz LAWUFTXCCBYJQR-BKUYFWCQSA-N 0 0 364.276 4.158 50 30 FIEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Cl)c2)C2=C1CCCC2=O ZINC000000780241 568215331 /nfs/dbraw/zinc/21/53/31/568215331.db2.gz RXZLEGCHWRAPCT-UHFFFAOYSA-N 0 0 371.864 4.479 50 30 FIEARN C=CCN1C(=O)C(=O)C(=O)C(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000071415990 568256656 /nfs/dbraw/zinc/25/66/56/568256656.db2.gz IDLCLISGZGFXCV-GOSISDBHSA-N 0 0 367.832 4.256 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000002882526 568353184 /nfs/dbraw/zinc/35/31/84/568353184.db2.gz YREKFZRIGLNMSO-QGZVFWFLSA-N 0 0 364.430 4.025 50 30 FIEARN C=CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)c(OCC=C)c1 ZINC000002844281 568385663 /nfs/dbraw/zinc/38/56/63/568385663.db2.gz PMZBCYSBMWXVOE-VBKFSLOCSA-N 0 0 367.426 4.222 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 ZINC000002878225 568445416 /nfs/dbraw/zinc/44/54/16/568445416.db2.gz RHFWXNZJVHLSGY-INIZCTEOSA-N 0 0 352.419 4.221 50 30 FIEARN COc1ccc(C(=O)/C=C\c2cccs2)c(OC(=O)c2ccco2)c1 ZINC000033441986 568514252 /nfs/dbraw/zinc/51/42/52/568514252.db2.gz YORQMNILJHRWHH-CLFYSBASSA-N 0 0 354.383 4.465 50 30 FIEARN C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1C1CC1 ZINC000023273547 570450425 /nfs/dbraw/zinc/45/04/25/570450425.db2.gz JKNROOKEEOZKAD-UHFFFAOYSA-N 0 0 373.869 4.337 50 30 FIEARN Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Br ZINC000000712972 570452099 /nfs/dbraw/zinc/45/20/99/570452099.db2.gz QVTHQWAEKCBYGN-REZTVBANSA-N 0 0 363.167 4.145 50 30 FIEARN Cc1ccc(NC(=O)[C@H](C#N)C(=S)Nc2ccccc2Cl)c(C)c1 ZINC000001024550 570472134 /nfs/dbraw/zinc/47/21/34/570472134.db2.gz RPFYDALFPVLWTD-ZDUSSCGKSA-N 0 0 357.866 4.475 50 30 FIEARN Cc1ccc(NC(=O)[C@@H](C#N)C(=S)Nc2ccccc2Cl)c(C)c1 ZINC000001024549 570472155 /nfs/dbraw/zinc/47/21/55/570472155.db2.gz RPFYDALFPVLWTD-CYBMUJFWSA-N 0 0 357.866 4.475 50 30 FIEARN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(C)cc1 ZINC000001151001 570484284 /nfs/dbraw/zinc/48/42/84/570484284.db2.gz TYXFBZHBPQCEQG-WOJGMQOQSA-N 0 0 351.402 4.289 50 30 FIEARN N#CC1(c2ccccc2)CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 ZINC000097499510 570488274 /nfs/dbraw/zinc/48/82/74/570488274.db2.gz GSWYAFCSLJIIDU-UHFFFAOYSA-N 0 0 362.477 4.155 50 30 FIEARN C=CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccccc1 ZINC000001188224 570490882 /nfs/dbraw/zinc/49/08/82/570490882.db2.gz UTYVRBZKVVMFID-HOOMGSECSA-N 0 0 350.443 4.485 50 30 FIEARN O=C1C=C(c2ccccc2)C[C@@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000001210919 570493329 /nfs/dbraw/zinc/49/33/29/570493329.db2.gz YVFUOIYANNQWPH-HNAYVOBHSA-N 0 0 365.414 4.234 50 30 aggregator FIEARN Cc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000001213210 570493637 /nfs/dbraw/zinc/49/36/37/570493637.db2.gz NUCGAMACQVGLDV-OAQYLSRUSA-N 0 0 365.473 4.449 50 30 FIEARN Cc1nn(C)cc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc(N)c1C#N ZINC000071763961 570511901 /nfs/dbraw/zinc/51/19/01/570511901.db2.gz QTXRWDLEVGLZJX-UHFFFAOYSA-N 0 0 358.232 4.218 50 30 FIEARN CCC(NC(=O)Nc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F ZINC000002096152 570514495 /nfs/dbraw/zinc/51/44/95/570514495.db2.gz HOQWVQPBVQHNTK-UHFFFAOYSA-N 0 0 350.209 4.360 50 30 FIEARN Cc1nc(COc2cccc(C(=O)Nc3sccc3C#N)c2)cs1 ZINC000014165442 570517929 /nfs/dbraw/zinc/51/79/29/570517929.db2.gz QWATZMDZQNURQK-UHFFFAOYSA-N 0 0 355.444 4.216 50 30 FIEARN COCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000002783261 570532698 /nfs/dbraw/zinc/53/26/98/570532698.db2.gz MEWISUIRIIVOGL-MIZVFFBBSA-N 0 0 356.422 4.076 50 30 FIEARN COc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000014686029 570544019 /nfs/dbraw/zinc/54/40/19/570544019.db2.gz KXTVWFSXADPHAY-UHFFFAOYSA-N 0 0 365.614 4.235 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc21 ZINC000003098429 570551335 /nfs/dbraw/zinc/55/13/35/570551335.db2.gz LFWNGSRUVVXXPC-NRFANRHFSA-N 0 0 361.441 4.371 50 30 FIEARN CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004898893 570556117 /nfs/dbraw/zinc/55/61/17/570556117.db2.gz OQAVORJZMXZSSV-WWAMGSKZSA-N 0 0 357.504 4.382 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000100439875 570557423 /nfs/dbraw/zinc/55/74/23/570557423.db2.gz BQEHVJQOZUWCQY-NHFXJNLRSA-N 0 0 373.383 4.452 50 30 FIEARN N#Cc1c(NC(=O)/C=C/C2=Cc3ccccc3OC2)sc2c1CCCC2 ZINC000005034458 570577484 /nfs/dbraw/zinc/57/74/84/570577484.db2.gz QPAVGYLJFGQHHS-MDZDMXLPSA-N 0 0 362.454 4.469 50 30 FIEARN COc1ccccc1N1CCN(/N=C(\C)c2ccc3ccccc3c2)CC1 ZINC000004567515 570596404 /nfs/dbraw/zinc/59/64/04/570596404.db2.gz CNCNIJXKWMJJLW-HKOYGPOVSA-N 0 0 359.473 4.395 50 30 FIEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)n1 ZINC000002260848 570636852 /nfs/dbraw/zinc/63/68/52/570636852.db2.gz DJHYHFGZSPJZLO-UHFFFAOYSA-N 0 0 373.460 4.240 50 30 FIEARN N#Cc1cc2c(nc1SC[C@H](O)CSCc1ccccc1)CCCC2 ZINC000005424346 570654318 /nfs/dbraw/zinc/65/43/18/570654318.db2.gz RXGFUJWAZDRWCG-GOSISDBHSA-N 0 0 370.543 4.218 50 30 FIEARN CCN1C(=S)N[C@H](c2c(F)cccc2F)C(C(=O)c2ccccc2)=C1C ZINC000003324196 570660217 /nfs/dbraw/zinc/66/02/17/570660217.db2.gz FNIJIOBEGFQWFH-SFHVURJKSA-N 0 0 372.440 4.373 50 30 FIEARN CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N ZINC000012629452 570754509 /nfs/dbraw/zinc/75/45/09/570754509.db2.gz UUKJKXKXAHXEGG-LJQANCHMSA-N 0 0 360.461 4.467 50 30 FIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000004385047 570765986 /nfs/dbraw/zinc/76/59/86/570765986.db2.gz WSJVINCQYWYURD-MRXNPFEDSA-N 0 0 361.445 4.142 50 30 FIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000013285558 570776170 /nfs/dbraw/zinc/77/61/70/570776170.db2.gz PCRVHRQVQBYERI-IBGZPJMESA-N 0 0 371.452 4.383 50 30 FIEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1Cl ZINC000013590594 570780069 /nfs/dbraw/zinc/78/00/69/570780069.db2.gz VRUGWFRVJHESGT-AWEZNQCLSA-N 0 0 351.258 4.455 50 30 FIEARN Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)n1 ZINC000013582915 570780104 /nfs/dbraw/zinc/78/01/04/570780104.db2.gz SQLORJPRXIBJMQ-LBPRGKRZSA-N 0 0 366.273 4.159 50 30 FIEARN CC(=O)NC(=Nc1nc(C)cc(C)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013756312 570789349 /nfs/dbraw/zinc/78/93/49/570789349.db2.gz LWSSJGGYSQOTKP-UHFFFAOYSA-N 0 0 352.225 4.476 50 30 FIEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1OC ZINC000004479348 570796142 /nfs/dbraw/zinc/79/61/42/570796142.db2.gz BHSWSGANBCMSGT-LLVKDONJSA-N 0 0 356.447 4.014 50 30 FIEARN Cc1cnc([C@@H](C)NC(=O)c2cc3sc(N4CCCC4)nc3s2)o1 ZINC000330094369 570806706 /nfs/dbraw/zinc/80/67/06/570806706.db2.gz SSTKFDLOJGBBKL-SNVBAGLBSA-N 0 0 362.480 4.320 50 30 FIEARN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000014162658 570809429 /nfs/dbraw/zinc/80/94/29/570809429.db2.gz BBQCKTQZPSUFFD-KRWDZBQOSA-N 0 0 374.271 4.016 50 30 FIEARN N#Cc1ccccc1OCc1nnc(-c2ccc(Br)s2)o1 ZINC000018224331 570815503 /nfs/dbraw/zinc/81/55/03/570815503.db2.gz XVYBCNOMCMZRNG-UHFFFAOYSA-N 0 0 362.208 4.011 50 30 FIEARN COc1cccc(C2CC(=O)C(=CNCc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000102374338 570831591 /nfs/dbraw/zinc/83/15/91/570831591.db2.gz ZAUZHPMMUXYDPR-UHFFFAOYSA-N 0 0 369.848 4.038 50 30 FIEARN C=CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1nc2c(s1)CCCC2 ZINC000040089907 570840108 /nfs/dbraw/zinc/84/01/08/570840108.db2.gz YOIYMDBSPOOYIZ-UHFFFAOYSA-N 0 0 370.474 4.275 50 30 FIEARN COc1ccc(C(=O)C(=CNc2ccccc2C)C(=O)C(F)(F)F)cc1 ZINC000103463108 570850583 /nfs/dbraw/zinc/85/05/83/570850583.db2.gz LLNSOIYMQXBKTQ-RVDMUPIBSA-N 0 0 363.335 4.314 50 30 FIEARN C[C@@H]1CCC(=CNCCCCCCNC=C2CC[C@H](C)CC2=O)C(=O)C1 ZINC000103709560 570852209 /nfs/dbraw/zinc/85/22/09/570852209.db2.gz JVPZUSSZOFCTNT-XOALBTGNSA-N 0 0 360.542 4.272 50 30 FIEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)c1 ZINC000016661553 570859573 /nfs/dbraw/zinc/85/95/73/570859573.db2.gz OQXUPAWRUKVNQL-WOJGMQOQSA-N 0 0 368.458 4.212 50 30 FIEARN CC/C(=N\NC(=S)NC1CCCCC1)c1ccc(Br)s1 ZINC000017076554 570868178 /nfs/dbraw/zinc/86/81/78/570868178.db2.gz WBCTUKBPYFQOKD-GZTJUZNOSA-N 0 0 374.373 4.422 50 30 FIEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2O)o1 ZINC000000651709 570874688 /nfs/dbraw/zinc/87/46/88/570874688.db2.gz RGOSQAVXTWDXKA-GOSISDBHSA-N 0 0 365.345 4.119 50 30 FIEARN Clc1nnc(N=NCc2ccccc2Br)c2ccccc12 ZINC000018158040 570875542 /nfs/dbraw/zinc/87/55/42/570875542.db2.gz JFTDEIWIWOAZIM-GIJQJNRQSA-N 0 0 361.630 4.492 50 30 FIEARN Cc1ccc(NC=C2C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)cc1 ZINC000018144600 570875793 /nfs/dbraw/zinc/87/57/93/570875793.db2.gz UZVIDJMHLUPIRL-VBKFSLOCSA-N 0 0 361.397 4.295 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000019901591 570905846 /nfs/dbraw/zinc/90/58/46/570905846.db2.gz LYEVJTFKFBDLKW-LJQANCHMSA-N 0 0 353.462 4.125 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 ZINC000045939595 570914683 /nfs/dbraw/zinc/91/46/83/570914683.db2.gz JSZQCTXHUZXDAQ-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN COc1ccc(OC)c(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000022032985 570937833 /nfs/dbraw/zinc/93/78/33/570937833.db2.gz DAYPYDBOYMONDX-MDZDMXLPSA-N 0 0 362.223 4.275 50 30 FIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023022427 570955363 /nfs/dbraw/zinc/95/53/63/570955363.db2.gz FHQQMUKEQKBLCW-UHFFFAOYSA-N 0 0 364.371 4.004 50 30 FIEARN Cc1ccc(-c2csc3ncn(Cc4ccccc4C#N)c(=O)c23)s1 ZINC000008394634 571045101 /nfs/dbraw/zinc/04/51/01/571045101.db2.gz ALEPLMLQOYIXMU-UHFFFAOYSA-N 0 0 363.467 4.415 50 30 FIEARN CO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 ZINC000001310226 571048656 /nfs/dbraw/zinc/04/86/56/571048656.db2.gz KZALOBXNUSOFOH-IERDGZPVSA-N 0 0 365.163 4.374 50 30 FIEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1 ZINC000001307007 571048659 /nfs/dbraw/zinc/04/86/59/571048659.db2.gz XQQPTGUQLBFOGP-BUVRLJJBSA-N 0 0 369.424 4.166 50 30 FIEARN Cc1nc([C@@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)s2)cs1 ZINC000071638952 571052374 /nfs/dbraw/zinc/05/23/74/571052374.db2.gz IHSJNQNRWKOHOJ-GFCCVEGCSA-N 0 0 357.504 4.108 50 30 FIEARN Cc1cc(C(=O)COC(=O)C2(C#N)CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000008779553 571061866 /nfs/dbraw/zinc/06/18/66/571061866.db2.gz 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C=CCN1C(=O)N[C@H](c2ccccc2)C(c2nc(-c3ccccc3)no2)=C1C ZINC000070635556 208176012 /nfs/dbraw/zinc/17/60/12/208176012.db2.gz ORTFLQHBEKVAGR-LJQANCHMSA-N 0 0 372.428 4.420 50 30 FIEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O ZINC000040382573 208248314 /nfs/dbraw/zinc/24/83/14/208248314.db2.gz DJGSBWHBQCNESO-CQSZACIVSA-N 0 0 373.437 4.069 50 30 FIEARN CCSc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000299800668 132300590 /nfs/dbraw/zinc/30/05/90/132300590.db2.gz UYHBVUVPWJEGAL-UHFFFAOYSA-N 0 0 366.490 4.024 50 30 FIEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 ZINC000001444124 132382043 /nfs/dbraw/zinc/38/20/43/132382043.db2.gz DTWBPAOBNAWQTN-KRWDZBQOSA-N 0 0 362.385 4.122 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)CN(c1ccc(F)cc1)CO3 ZINC000013691994 132870087 /nfs/dbraw/zinc/87/00/87/132870087.db2.gz MNEGXQXGZQZUBN-JMIUGGIZSA-N 0 0 374.371 4.193 50 30 FIEARN CN(CCN(C)/N=C/c1ccc(Cl)cc1)/N=C/c1ccc(Cl)cc1 ZINC000002897080 263327798 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364.474 4.170 50 30 FIEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)CCCC ZINC000100874349 519261364 /nfs/dbraw/zinc/26/13/64/519261364.db2.gz RFHGNWKMZYRRCO-ICFOKQHNSA-N 0 0 353.285 4.269 50 30 FIEARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 ZINC000253499514 519757294 /nfs/dbraw/zinc/75/72/94/519757294.db2.gz IWRPVTXREVYBHT-IUWQRJJKSA-N 0 0 372.505 4.265 50 30 biogenic FIEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000098050607 520059849 /nfs/dbraw/zinc/05/98/49/520059849.db2.gz NCVPPCLYJDZSTE-LJQANCHMSA-N 0 0 374.481 4.227 50 30 FIEARN CCCOC(=NC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccn1 ZINC000004752887 520206615 /nfs/dbraw/zinc/20/66/15/520206615.db2.gz CWVVGSBCRPLJMX-UHFFFAOYSA-N 0 0 366.248 4.101 50 30 FIEARN CCN(CC#N)Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S ZINC000057995755 520298385 /nfs/dbraw/zinc/29/83/85/520298385.db2.gz YBFZBEYYQLQUHZ-UHFFFAOYSA-N 0 0 363.490 4.182 50 30 FIEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccc(C)cc2C)C1=O ZINC000007332337 520536655 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/nfs/dbraw/zinc/81/08/47/526810847.db2.gz WOLCAJVNDVWFDZ-UHFFFAOYSA-N 0 0 366.229 4.080 50 30 FIEARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1csnc1-c1ccccc1 ZINC000328596541 527371414 /nfs/dbraw/zinc/37/14/14/527371414.db2.gz BCRPKVFXFFEXRV-UHFFFAOYSA-N 0 0 355.375 4.385 50 30 FIEARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc2c(c1)OCCO2 ZINC000096767107 527537616 /nfs/dbraw/zinc/53/76/16/527537616.db2.gz AYVSUMYPYPKDQH-KTKRTIGZSA-N 0 0 360.413 4.156 50 30 FIEARN O=C(/C=C/N(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001958055 527596921 /nfs/dbraw/zinc/59/69/21/527596921.db2.gz JJUVZDOCOOFVFX-WUKNDPDISA-N 0 0 363.438 4.279 50 30 FIEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005785375 527633387 /nfs/dbraw/zinc/63/33/87/527633387.db2.gz LIBNOBPQOZJNGI-NNLIIISGSA-N 0 0 369.376 4.317 50 30 biogenic FIEARN COc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc(OC)c1O ZINC000007739265 568252692 /nfs/dbraw/zinc/25/26/92/568252692.db2.gz YUWTVKWTUMWEFN-BQYQJAHWSA-N 0 0 352.308 4.324 50 30 FIEARN C=CCN1C(=O)C(=O)C(=O)C(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000071415991 568256687 /nfs/dbraw/zinc/25/66/87/568256687.db2.gz IDLCLISGZGFXCV-SFHVURJKSA-N 0 0 367.832 4.256 50 30 FIEARN CCOC(=O)c1ccccc1CSc1nc2c(cc1C#N)CCCC2 ZINC000000817978 568291273 /nfs/dbraw/zinc/29/12/73/568291273.db2.gz KZCVJQIUWUEXCE-UHFFFAOYSA-N 0 0 352.459 4.301 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 ZINC000002878402 568380884 /nfs/dbraw/zinc/38/08/84/568380884.db2.gz VBHHFAPYHDMDRG-OAHLLOKOSA-N 0 0 354.460 4.381 50 30 FIEARN Cc1ccsc1/C=N/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000672044 570446697 /nfs/dbraw/zinc/44/66/97/570446697.db2.gz VVYUWMPJLKEBPD-XMHGGMMESA-N 0 0 362.520 4.372 50 30 FIEARN C=CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000022627737 570463219 /nfs/dbraw/zinc/46/32/19/570463219.db2.gz SEHKXMSWROIOSK-QFIPXVFZSA-N 0 0 351.446 4.144 50 30 FIEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000909348 570463548 /nfs/dbraw/zinc/46/35/48/570463548.db2.gz OMBIPMBWCHLNFD-HXUWFJFHSA-N 0 0 355.434 4.042 50 30 FIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000988617 570468213 /nfs/dbraw/zinc/46/82/13/570468213.db2.gz BVLOFQRJXBJNPB-IBGZPJMESA-N 0 0 374.396 4.094 50 30 FIEARN C/N=C1/S/C(=C\c2ccc(-c3cc(Cl)ccc3OC)o2)C(=O)N1C ZINC000001004239 570471008 /nfs/dbraw/zinc/47/10/08/570471008.db2.gz SOQMQGSPBMBIRT-LYXOMWPRSA-N 0 0 362.838 4.141 50 30 FIEARN Cc1[nH]nc2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 ZINC000001036852 570473546 /nfs/dbraw/zinc/47/35/46/570473546.db2.gz BSOMIYKNSOWLSD-IBGZPJMESA-N 0 0 350.466 4.094 50 30 FIEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1OC ZINC000001170097 570486782 /nfs/dbraw/zinc/48/67/82/570486782.db2.gz FBKRCOGMORAUHG-NRFANRHFSA-N 0 0 350.418 4.290 50 30 FIEARN O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000001210916 570493139 /nfs/dbraw/zinc/49/31/39/570493139.db2.gz YVFUOIYANNQWPH-DNVCBOLYSA-N 0 0 365.414 4.234 50 30 aggregator FIEARN C=CCNC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001946282 570510371 /nfs/dbraw/zinc/51/03/71/570510371.db2.gz LSMIXSYAXJNILX-DJKKODMXSA-N 0 0 354.262 4.237 50 30 FIEARN N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)o1 ZINC000071763026 570511939 /nfs/dbraw/zinc/51/19/39/570511939.db2.gz JFSPBFCRTZNXDD-NRFANRHFSA-N 0 0 358.441 4.262 50 30 FIEARN Cn1ncc2c1ncnc2SCc1ccc(-c2ccccc2C#N)cc1 ZINC000014199719 570519070 /nfs/dbraw/zinc/51/90/70/570519070.db2.gz DWTQRFSOLBBLRS-UHFFFAOYSA-N 0 0 357.442 4.194 50 30 FIEARN C[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004935877 570562334 /nfs/dbraw/zinc/56/23/34/570562334.db2.gz QDNYYBSBHHRRTN-PYQFKKROSA-N 0 0 363.442 4.287 50 30 FIEARN CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O ZINC000004952057 570566198 /nfs/dbraw/zinc/56/61/98/570566198.db2.gz BUDBDFURVCPBJC-AVBHYHMMSA-N 0 0 355.463 4.222 50 30 FIEARN Cc1ccc2sc(NC(=O)CSc3nc(C)cc(C)c3C#N)nc2c1 ZINC000004994026 570573195 /nfs/dbraw/zinc/57/31/95/570573195.db2.gz UWWVDKDYFBDCFJ-UHFFFAOYSA-N 0 0 368.487 4.219 50 30 FIEARN COc1ccc(NN=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000005024002 570575833 /nfs/dbraw/zinc/57/58/33/570575833.db2.gz PBTFIYIVGMECJC-QJOMJCCJSA-N 0 0 364.430 4.167 50 30 FIEARN COc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O ZINC000005193668 570631568 /nfs/dbraw/zinc/63/15/68/570631568.db2.gz SHEZRRMZIIGDAJ-PXNMLYILSA-N 0 0 361.191 4.083 50 30 biogenic FIEARN COC(=O)c1cc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1Cl ZINC000079058163 570634700 /nfs/dbraw/zinc/63/47/00/570634700.db2.gz ZIPUBHZXAYBELF-LLVKDONJSA-N 0 0 374.849 4.118 50 30 FIEARN Cc1noc(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000079123938 570635007 /nfs/dbraw/zinc/63/50/07/570635007.db2.gz PAEBLYRVMHMTRA-UHFFFAOYSA-N 0 0 357.479 4.455 50 30 FIEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)cc1OC ZINC000007586545 570683199 /nfs/dbraw/zinc/68/31/99/570683199.db2.gz OTMWYHWHXRPHEH-WEVVVXLNSA-N 0 0 355.409 4.339 50 30 FIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)no1 ZINC000017245809 570747952 /nfs/dbraw/zinc/74/79/52/570747952.db2.gz DPWRSMMXBGISFS-LJQANCHMSA-N 0 0 374.396 4.074 50 30 FIEARN O=C1N/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000013583316 570779960 /nfs/dbraw/zinc/77/99/60/570779960.db2.gz CKGXMIWILCXUKH-CQSZACIVSA-N 0 0 368.355 4.306 50 30 FIEARN C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000018091290 570807455 /nfs/dbraw/zinc/80/74/55/570807455.db2.gz IVPPXEBYDMTEQN-UHFFFAOYSA-N 0 0 366.417 4.421 50 30 FIEARN Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(Cl)C(=O)c3ccccc32)cc1C ZINC000103748016 570852286 /nfs/dbraw/zinc/85/22/86/570852286.db2.gz IDGPWWUNUNIEQY-HEHNFIMWSA-N 0 0 373.861 4.109 50 30 FIEARN CCn1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cn1 ZINC000017075598 570867458 /nfs/dbraw/zinc/86/74/58/570867458.db2.gz UHVJXJZMFGLACK-UHFFFAOYSA-N 0 0 368.477 4.303 50 30 FIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000019818208 570903726 /nfs/dbraw/zinc/90/37/26/570903726.db2.gz VMGJMLNYXKVLHT-QFIPXVFZSA-N 0 0 373.452 4.398 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccccc2C)NCc2ccncc2)cc1C ZINC000045940514 570915048 /nfs/dbraw/zinc/91/50/48/570915048.db2.gz FMKXYWVKNYSNRG-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccccc2C)NCc2ccncc2)cc1 ZINC000045940168 570915159 /nfs/dbraw/zinc/91/51/59/570915159.db2.gz GFULZBYJCLKTJN-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2)cc1 ZINC000046125851 570926639 /nfs/dbraw/zinc/92/66/39/570926639.db2.gz BVJSEQBEPYUOIW-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)cc1 ZINC000046127374 570927067 /nfs/dbraw/zinc/92/70/67/570927067.db2.gz FHOQPFIVBIRQBT-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)c1 ZINC000046130434 570928108 /nfs/dbraw/zinc/92/81/08/570928108.db2.gz CTDWZNCPZFNSFN-GOSISDBHSA-N 0 0 371.868 4.025 50 30 FIEARN Cc1ccc2nc(C)cc(C(=O)OCc3cn4ccccc4c3C#N)c2c1 ZINC000048301400 570944649 /nfs/dbraw/zinc/94/46/49/570944649.db2.gz HEMBCMXFCPXTRV-UHFFFAOYSA-N 0 0 355.397 4.333 50 30 FIEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccc(O)c(Cl)c1 ZINC000055154378 571058129 /nfs/dbraw/zinc/05/81/29/571058129.db2.gz KDZASOHXQMEXLF-UHFFFAOYSA-N 0 0 355.825 4.284 50 30 FIEARN C#CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000058279299 571062714 /nfs/dbraw/zinc/06/27/14/571062714.db2.gz GAWUDWUMTQKKFY-LJQANCHMSA-N 0 0 360.461 4.269 50 30 FIEARN C=C(C)COc1ccc(NC(=O)N(Cc2nnc(CC)o2)C(C)C)cc1 ZINC000096149334 571072563 /nfs/dbraw/zinc/07/25/63/571072563.db2.gz GILBMNXXKXPDCZ-UHFFFAOYSA-N 0 0 358.442 4.029 50 30 FIEARN C=C(C)CN(CC)C(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012772446 571092523 /nfs/dbraw/zinc/09/25/23/571092523.db2.gz SMAUACXCVVMELJ-UHFFFAOYSA-N 0 0 367.474 4.407 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OCC)cc1 ZINC000069374869 571097475 /nfs/dbraw/zinc/09/74/75/571097475.db2.gz XNWYKNFLUCKENO-AZUAARDMSA-N 0 0 370.470 4.466 50 30 FIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012781580 571098718 /nfs/dbraw/zinc/09/87/18/571098718.db2.gz KBJJYXJQCLRKFW-SNVBAGLBSA-N 0 0 366.751 4.219 50 30 FIEARN CCc1ccccc1[C@H](O)C(O)(C#Cc1ccccc1)C#Cc1ccccc1 ZINC000003764808 571101968 /nfs/dbraw/zinc/10/19/68/571101968.db2.gz JITIAFFMVXWQLD-VWLOTQADSA-N 0 0 366.460 4.117 50 30 FIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl ZINC000005451321 571103034 /nfs/dbraw/zinc/10/30/34/571103034.db2.gz FDONEGJAEZZVLG-UHFFFAOYSA-N 0 0 353.809 4.218 50 30 FIEARN Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000013724628 571111575 /nfs/dbraw/zinc/11/15/75/571111575.db2.gz FDFDKTQIFONXDF-OAHLLOKOSA-N 0 0 359.223 4.310 50 30 FIEARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(C#N)cc2)S1 ZINC000085412098 571113494 /nfs/dbraw/zinc/11/34/94/571113494.db2.gz MEHNHDMSUZTOTC-QGZVFWFLSA-N 0 0 352.463 4.439 50 30 FIEARN C=CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1nc2c(s1)CCCC2 ZINC000012761722 571118634 /nfs/dbraw/zinc/11/86/34/571118634.db2.gz KIIHLOCIGSRLNT-INIZCTEOSA-N 0 0 374.893 4.198 50 30 FIEARN C=CCN1C(=O)C(=Cc2cc(C)n(C3CCCCC3)c2C)C(=O)NC1=S ZINC000015837290 571122423 /nfs/dbraw/zinc/12/24/23/571122423.db2.gz ODOAUFMPPOQTKB-SFQUDFHCSA-N 0 0 371.506 4.263 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 ZINC000000623096 571122798 /nfs/dbraw/zinc/12/27/98/571122798.db2.gz JUIUCWNVCVGYDF-UHFFFAOYSA-N 0 0 364.474 4.170 50 30 FIEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1 ZINC000000703944 571123127 /nfs/dbraw/zinc/12/31/27/571123127.db2.gz IQOVMNTWJBBFIZ-UHFFFAOYSA-N 0 0 361.833 4.006 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 ZINC000002073912 571124729 /nfs/dbraw/zinc/12/47/29/571124729.db2.gz ZLELVUVTYQQVLV-HNNXBMFYSA-N 0 0 354.460 4.381 50 30 FIEARN O=C1c2cc(F)ccc2OCC/C1=C/c1csc(-c2ccccn2)n1 ZINC000058407575 571132333 /nfs/dbraw/zinc/13/23/33/571132333.db2.gz ANSRIHWINOQXHH-XFXZXTDPSA-N 0 0 352.390 4.393 50 30 FIEARN CCCCCCCCNC(=O)c1ccccc1I ZINC000101094196 571134151 /nfs/dbraw/zinc/13/41/51/571134151.db2.gz WYWWSMXWHVYVST-UHFFFAOYSA-N 0 0 359.251 4.382 50 30 FIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 ZINC000000947402 571134991 /nfs/dbraw/zinc/13/49/91/571134991.db2.gz FIMHCQUZHJJDQU-ZDUSSCGKSA-N 0 0 354.475 4.379 50 30 FIEARN C=CCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019707531 571140788 /nfs/dbraw/zinc/14/07/88/571140788.db2.gz IOTCSGQSXGEYTR-QGZVFWFLSA-N 0 0 362.260 4.149 50 30 FIEARN C=CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000020427604 571141289 /nfs/dbraw/zinc/14/12/89/571141289.db2.gz IYRGOHNTQTYIBX-UHFFFAOYSA-N 0 0 353.418 4.008 50 30 FIEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OC ZINC000000993834 571141817 /nfs/dbraw/zinc/14/18/17/571141817.db2.gz DXWSZINWWQPQSA-KEBDBYFISA-N 0 0 371.418 4.175 50 30 FIEARN C#CCN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O ZINC000001150646 571147954 /nfs/dbraw/zinc/14/79/54/571147954.db2.gz SRADUMRIDJXHSG-PDGQHHTCSA-N 0 0 367.401 4.074 50 30 FIEARN O=C(CSc1ccncc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000027860071 571150170 /nfs/dbraw/zinc/15/01/70/571150170.db2.gz KBXMQIFZYBTTMU-UHFFFAOYSA-N 0 0 350.468 4.274 50 30 FIEARN C=CCn1c(-c2sc(NC(=O)CCCCC)nc2C)n[nH]c1=S ZINC000012938092 571152006 /nfs/dbraw/zinc/15/20/06/571152006.db2.gz XGUCCQDZDYAKOD-UHFFFAOYSA-N 0 0 351.501 4.077 50 30 FIEARN CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1OCC ZINC000007701106 571162487 /nfs/dbraw/zinc/16/24/87/571162487.db2.gz LMCQRRPWXVISKH-ZRDIBKRKSA-N 0 0 356.418 4.397 50 30 FIEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C(=O)C[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257347487 571163488 /nfs/dbraw/zinc/16/34/88/571163488.db2.gz JAZBMNIJZWDVQJ-GHZMSKEGSA-N 0 0 372.505 4.265 50 30 FIEARN N#Cc1cnc2ccc(Cl)cc2c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000333449882 571165550 /nfs/dbraw/zinc/16/55/50/571165550.db2.gz NLLOIOIJSRZAEE-HNNXBMFYSA-N 0 0 373.909 4.038 50 30 FIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071770169 571166306 /nfs/dbraw/zinc/16/63/06/571166306.db2.gz JOIVCMKYTDBOIY-NTTSBTAXSA-N 0 0 356.506 4.491 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012986476 571184780 /nfs/dbraw/zinc/18/47/80/571184780.db2.gz ZHBDXRRXHDGPNP-UHFFFAOYSA-N 0 0 357.413 4.180 50 30 FIEARN CC(=O)c1cc(C#N)c(SCCCC(=O)c2ccc(F)cc2)nc1C ZINC000013023361 571189796 /nfs/dbraw/zinc/18/97/96/571189796.db2.gz SCYGAOXTGNLXKU-UHFFFAOYSA-N 0 0 356.422 4.359 50 30 FIEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O)cc3)C2=N)S1 ZINC000097958781 571201188 /nfs/dbraw/zinc/20/11/88/571201188.db2.gz UFMIKUSRHPFGTK-YXIKXFKQSA-N 0 0 370.478 4.372 50 30 FIEARN N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000023042601 571203893 /nfs/dbraw/zinc/20/38/93/571203893.db2.gz MPYHGBSOKNAPJS-UHFFFAOYSA-N 0 0 363.402 4.076 50 30 FIEARN N#CC1(c2ccccc2)CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000077299337 571206782 /nfs/dbraw/zinc/20/67/82/571206782.db2.gz PSRJNCUVHIJTLC-UHFFFAOYSA-N 0 0 357.413 4.039 50 30 FIEARN CCCn1c(SCC#N)nc2cc(-c3ccc(C)cc3)sc2c1=O ZINC000064565414 571210261 /nfs/dbraw/zinc/21/02/61/571210261.db2.gz 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571249547 /nfs/dbraw/zinc/24/95/47/571249547.db2.gz CQSVUNHUODCHSO-UHFFFAOYSA-N 0 0 362.454 4.458 50 30 FIEARN N#Cc1ccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)cc1 ZINC000065180412 571255797 /nfs/dbraw/zinc/25/57/97/571255797.db2.gz JSYXQHBBCFFMCN-UHFFFAOYSA-N 0 0 366.436 4.156 50 30 FIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C ZINC000007194420 571262954 /nfs/dbraw/zinc/26/29/54/571262954.db2.gz AURINECPMGHZCC-UHFFFAOYSA-N 0 0 357.435 4.217 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1OC ZINC000170615220 571268291 /nfs/dbraw/zinc/26/82/91/571268291.db2.gz ABANWPRGFSNBQL-SIKLNZKXSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000170615270 571268403 /nfs/dbraw/zinc/26/84/03/571268403.db2.gz RZKYMRPHXNRLSH-UYAOXDASSA-N 0 0 369.486 4.133 50 30 FIEARN C[C@@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 ZINC000170625325 571269289 /nfs/dbraw/zinc/26/92/89/571269289.db2.gz IVGNIFOSJQQLFM-BEFAXECRSA-N 0 0 352.507 4.457 50 30 FIEARN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000002336019 571277680 /nfs/dbraw/zinc/27/76/80/571277680.db2.gz WFDYNILXKVZQRT-SRZZPIQSSA-N 0 0 364.405 4.114 50 30 FIEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000002107152 571277766 /nfs/dbraw/zinc/27/77/66/571277766.db2.gz SIKIPCLWDIIQAH-GNKPEBMXSA-N 0 0 366.413 4.367 50 30 biogenic FIEARN CC(C)c1ccc(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000252460945 571278998 /nfs/dbraw/zinc/27/89/98/571278998.db2.gz JJKAQNSHYDDEPN-UHFFFAOYSA-N 0 0 356.491 4.345 50 30 FIEARN C=CCOc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 ZINC000002173380 571283215 /nfs/dbraw/zinc/28/32/15/571283215.db2.gz MCNIWRRFTQKFMJ-GZTJUZNOSA-N 0 0 369.804 4.258 50 30 FIEARN CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002207819 571284620 /nfs/dbraw/zinc/28/46/20/571284620.db2.gz BWFVVUWOLQUSIN-UHFFFAOYSA-N 0 0 365.502 4.304 50 30 FIEARN C=CCN1C(=O)C2=C(N[C@@H]1SCC)c1ccccc1CC21CCCC1 ZINC000002216362 571289298 /nfs/dbraw/zinc/28/92/98/571289298.db2.gz 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N#Cc1ccccc1-c1ccc([C@@H]2c3[nH]cnc3CCN2Cc2ccoc2)o1 ZINC000072474983 571319160 /nfs/dbraw/zinc/31/91/60/571319160.db2.gz HHFXVUCVJADSGU-JOCHJYFZSA-N 0 0 370.412 4.282 50 30 FIEARN C=CCn1c2ncn(CCCCCC)c(=O)c2c2nc3ccccc3nc21 ZINC000002425005 571321897 /nfs/dbraw/zinc/32/18/97/571321897.db2.gz PWSADUBYESQLRO-UHFFFAOYSA-N 0 0 361.449 4.061 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000019228572 571323452 /nfs/dbraw/zinc/32/34/52/571323452.db2.gz OTQHJFMREQMCOG-IBGZPJMESA-N 0 0 368.477 4.029 50 30 FIEARN CC(C)(C)O[C@H](C(=O)NCCNC(=O)c1ccccc1N)c1ccccc1 ZINC000328591285 571323546 /nfs/dbraw/zinc/32/35/46/571323546.db2.gz JEZZHTQWBRSPIX-SFHVURJKSA-N 0 0 369.465 4.086 50 30 FIEARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000154749764 571326403 /nfs/dbraw/zinc/32/64/03/571326403.db2.gz NAMSRAUAIPGKOQ-UHFFFAOYSA-N 0 0 350.809 4.267 50 30 FIEARN CC[C@H](CO)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820407 571327349 /nfs/dbraw/zinc/32/73/49/571327349.db2.gz 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CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004081843 571354876 /nfs/dbraw/zinc/35/48/76/571354876.db2.gz YRLVTBXOGJMZNC-WIYPWKLFSA-N 0 0 372.505 4.217 50 30 biogenic FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OCC)cc1 ZINC000004119638 571355569 /nfs/dbraw/zinc/35/55/69/571355569.db2.gz JVRJRDKBIZRHET-YLJYHZDGSA-N 0 0 370.470 4.466 50 30 FIEARN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1O ZINC000059250323 571356346 /nfs/dbraw/zinc/35/63/46/571356346.db2.gz XEUNFSYONQPCEI-UYRXBGFRSA-N 0 0 362.429 4.326 50 30 FIEARN CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1cccs1 ZINC000050512948 1082148118 /nfs/dbraw/zinc/14/81/18/1082148118.db2.gz VBOORXBKSPPUSR-UHFFFAOYSA-N 0 0 359.495 4.271 50 30 FIEARN CC1(C)CC[C@@H]2C[C@H](NC(=O)C3(S(C)(=O)=O)CCC3)c3cccc1c32 ZINC000330021867 1091136972 /nfs/dbraw/zinc/13/69/72/1091136972.db2.gz YOTCJKAWXCVGGY-CJNGLKHVSA-N 0 0 361.507 4.210 50 30 FIEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F 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/nfs/dbraw/zinc/31/49/94/219314994.db2.gz CISNLTQJDDVBGQ-CPNJWEJPSA-N 0 0 362.520 4.198 50 30 FIEARN COc1cccc(/C=C\C(=O)c2ccc(I)cc2)c1 ZINC000033458194 209858194 /nfs/dbraw/zinc/85/81/94/209858194.db2.gz PKRSIYJATIXDMB-YHYXMXQVSA-N 0 0 364.182 4.196 50 30 FIEARN COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1OC ZINC000001005182 219352943 /nfs/dbraw/zinc/35/29/43/219352943.db2.gz NASIGTISLUHMAK-WQRHYEAKSA-N 0 0 368.458 4.212 50 30 FIEARN Oc1ccccc1/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001044728 219356987 /nfs/dbraw/zinc/35/69/87/219356987.db2.gz CLPMGIKPQBWUHB-DNTJNYDQSA-N 0 0 373.787 4.385 50 30 FIEARN CCOc1cc(C#N)c(NC(=O)COc2ccc(Cl)cc2)cc1OCC ZINC000001076823 219365686 /nfs/dbraw/zinc/36/56/86/219365686.db2.gz STKDQLTVGSSLCN-UHFFFAOYSA-N 0 0 374.824 4.027 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000001079996 219366521 /nfs/dbraw/zinc/36/65/21/219366521.db2.gz SYAGWLMWYQBCBM-QUCCMNQESA-N 0 0 353.393 4.057 50 30 FIEARN 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524316025 /nfs/dbraw/zinc/31/60/25/524316025.db2.gz NUKVOOSSYBSPPX-AGASNCOBSA-N 0 0 362.381 4.183 50 30 FIEARN COc1ccccc1/C=C/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004482704 524316661 /nfs/dbraw/zinc/31/66/61/524316661.db2.gz DXYRDPXDNIJMPD-MDBPQJRPSA-N 0 0 355.869 4.170 50 30 FIEARN COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000006341463 524803436 /nfs/dbraw/zinc/80/34/36/524803436.db2.gz MZMMXLPDWZSPMD-FNORWQNLSA-N 0 0 362.809 4.271 50 30 FIEARN Cc1cc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)n(CCC#N)n1 ZINC000058227283 525158854 /nfs/dbraw/zinc/15/88/54/525158854.db2.gz GNJAWQWHTACJHU-GFCCVEGCSA-N 0 0 364.371 4.256 50 30 FIEARN CSC(=NS(=O)(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000006131627 525285934 /nfs/dbraw/zinc/28/59/34/525285934.db2.gz IXZICZKRCFVRLZ-UHFFFAOYSA-N 0 0 364.876 4.060 50 30 FIEARN Cc1ccc(-c2cccc(-c3ccn(Cc4ccc(C#N)cc4)n3)c2)nn1 ZINC000020560624 525756309 /nfs/dbraw/zinc/75/63/09/525756309.db2.gz GLSYTNVSVVLSMK-UHFFFAOYSA-N 0 0 351.413 4.236 50 30 FIEARN Cc1ccsc1C=NN1C(=S)N=NC1c1cccc(OC(C)C)c1 ZINC000006082833 525815873 /nfs/dbraw/zinc/81/58/73/525815873.db2.gz BQHQZIAMJFWPFO-VCHYOVAHSA-N 0 0 358.492 4.273 50 30 FIEARN CSc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000096765525 525950859 /nfs/dbraw/zinc/95/08/59/525950859.db2.gz YSPFPMDHAQTVSN-WTKPLQERSA-N 0 0 357.450 4.280 50 30 FIEARN Cc1ccc2[nH]c(SCC(=O)N(CCC#N)c3ccc(F)cc3)nc2c1 ZINC000005927722 526255294 /nfs/dbraw/zinc/25/52/94/526255294.db2.gz QJSNJNYOLMLZBX-UHFFFAOYSA-N 0 0 368.437 4.049 50 30 FIEARN S=C(N/N=C/c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 ZINC000006299176 526382676 /nfs/dbraw/zinc/38/26/76/526382676.db2.gz KIIUNWKWHXPKIZ-PXLXIMEGSA-N 0 0 367.518 4.396 50 30 FIEARN S=C(NCc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 ZINC000004985626 526383611 /nfs/dbraw/zinc/38/36/11/526383611.db2.gz NOKYSCQEVMBCDD-UHFFFAOYSA-N 0 0 373.525 4.492 50 30 FIEARN S=C1N=NC(c2ccccn2)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000005450629 526390389 /nfs/dbraw/zinc/39/03/89/526390389.db2.gz UUXCKGVFTKCCRY-HYARGMPZSA-N 0 0 373.441 4.303 50 30 FIEARN N#CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000004351209 526428160 /nfs/dbraw/zinc/42/81/60/526428160.db2.gz OCRWVVVRLXJTCA-OEAKJJBVSA-N 0 0 367.714 4.413 50 30 FIEARN N#CCCCSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000006128969 526448060 /nfs/dbraw/zinc/44/80/60/526448060.db2.gz CZMHUIZQGFIXAB-UHFFFAOYSA-N 0 0 368.437 4.381 50 30 FIEARN N#CCSc1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000003429139 526479513 /nfs/dbraw/zinc/47/95/13/526479513.db2.gz JWAIOHHXPNLINV-UHFFFAOYSA-N 0 0 350.802 4.112 50 30 FIEARN CSc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000012323166 568163063 /nfs/dbraw/zinc/16/30/63/568163063.db2.gz QMJJAWZNPONXKH-OAHLLOKOSA-N 0 0 356.451 4.013 50 30 FIEARN N#CCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2[O-])cc1 ZINC000000813269 568283988 /nfs/dbraw/zinc/28/39/88/568283988.db2.gz XYZPVYUIIJINAH-UHFFFAOYSA-N 0 0 365.614 4.126 50 30 FIEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000024507108 568468352 /nfs/dbraw/zinc/46/83/52/568468352.db2.gz 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CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000988613 570468184 /nfs/dbraw/zinc/46/81/84/570468184.db2.gz SRELXCORXXSZPK-IBGZPJMESA-N 0 0 374.396 4.094 50 30 FIEARN COc1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1OC ZINC000001041721 570475355 /nfs/dbraw/zinc/47/53/55/570475355.db2.gz ZESPARBCLSPZPC-UDWIEESQSA-N 0 0 357.479 4.148 50 30 FIEARN O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)c1c(ccc3ncccc31)N2 ZINC000001440574 570499979 /nfs/dbraw/zinc/49/99/79/570499979.db2.gz IWLIWTHFSYYKFK-FQEVSTJZSA-N 0 0 358.397 4.211 50 30 FIEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccnc1 ZINC000001447287 570500304 /nfs/dbraw/zinc/50/03/04/570500304.db2.gz YWYYTCAULQZRDX-GHXNOFRVSA-N 0 0 350.230 4.280 50 30 FIEARN CCN(CCC#N)C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002158548 570515668 /nfs/dbraw/zinc/51/56/68/570515668.db2.gz KVBGBLNXRRJWDN-UHFFFAOYSA-N 0 0 352.221 4.333 50 30 FIEARN C[C@H](SC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014141624 570517502 /nfs/dbraw/zinc/51/75/02/570517502.db2.gz OKPMKFVBKPFZDB-JTQLQIEISA-N 0 0 365.549 4.052 50 30 FIEARN C=CCSC1=N/C(=C\c2cccc(OC(C)=O)c2Cl)C(=O)S1 ZINC000002833956 570534713 /nfs/dbraw/zinc/53/47/13/570534713.db2.gz PNROYIGQQHBBMS-FLIBITNWSA-N 0 0 353.852 4.155 50 30 FIEARN COc1ccc(Cl)cc1-c1nc(SCc2ccc(F)c(C#N)c2)n[nH]1 ZINC000158125996 570538729 /nfs/dbraw/zinc/53/87/29/570538729.db2.gz GBLSXWOCECAGHX-UHFFFAOYSA-N 0 0 374.828 4.437 50 30 FIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)F)c(OCC)c1 ZINC000024034541 570548665 /nfs/dbraw/zinc/54/86/65/570548665.db2.gz MIEQAMBXVJSIJI-SFHVURJKSA-N 0 0 374.387 4.439 50 30 FIEARN CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004910731 570558056 /nfs/dbraw/zinc/55/80/56/570558056.db2.gz MJRLYDONLOUCPS-MWDTWODRSA-N 0 0 369.465 4.460 50 30 FIEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000004910315 570558184 /nfs/dbraw/zinc/55/81/84/570558184.db2.gz DRZYTDSZSHVMBD-MRXNPFEDSA-N 0 0 365.864 4.240 50 30 FIEARN CC1CCN(CN2c3ccccc3/C(=N/c3cccc(Cl)c3)C2=O)CC1 ZINC000034854380 570560881 /nfs/dbraw/zinc/56/08/81/570560881.db2.gz FRAWPHVBYAUTLD-ATJXCDBQSA-N 0 0 367.880 4.497 50 30 FIEARN C=CCNc1nc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)cs1 ZINC000005040202 570578204 /nfs/dbraw/zinc/57/82/04/570578204.db2.gz HMNSJFLJVDRDLI-UHFFFAOYSA-N 0 0 358.463 4.078 50 30 FIEARN C=CCNc1nc(C(=O)OCCOc2ccc(Cl)cc2Cl)cs1 ZINC000005040204 570578255 /nfs/dbraw/zinc/57/82/55/570578255.db2.gz XQSCHBBVPSTWCR-UHFFFAOYSA-N 0 0 373.261 4.284 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(C)c1 ZINC000252488842 570622503 /nfs/dbraw/zinc/62/25/03/570622503.db2.gz JAFFBASWDNJIAJ-UGKGYDQZSA-N 0 0 364.441 4.323 50 30 FIEARN N#CCOc1ccccc1-c1c(Cl)nc(Cl)c(=O)n1-c1ccccc1 ZINC000004168414 570665364 /nfs/dbraw/zinc/66/53/64/570665364.db2.gz BBTCKJIMASYNHH-UHFFFAOYSA-N 0 0 372.211 4.109 50 30 FIEARN NC(=S)N/N=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002775923 570672555 /nfs/dbraw/zinc/67/25/55/570672555.db2.gz PCAUWOBKXIDIAG-FSJBWODESA-N 0 0 358.470 4.010 50 30 FIEARN N#CCCN(C(=O)COc1cc(Cl)ccc1Cl)c1ccccc1F ZINC000004956085 570673836 /nfs/dbraw/zinc/67/38/36/570673836.db2.gz UBMKZDYGIBVYCE-UHFFFAOYSA-N 0 0 367.207 4.458 50 30 FIEARN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000006048962 570680310 /nfs/dbraw/zinc/68/03/10/570680310.db2.gz BKMKZYVRSWKUEC-OVCLIPMQSA-N 0 0 371.502 4.131 50 30 FIEARN N#Cc1ccc(OCCn2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000017478433 570755500 /nfs/dbraw/zinc/75/55/00/570755500.db2.gz YYVMNUNCLLJBAO-UHFFFAOYSA-N 0 0 373.437 4.076 50 30 FIEARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 ZINC000012790650 570762021 /nfs/dbraw/zinc/76/20/21/570762021.db2.gz VSIUGZWYOGGBJY-UHFFFAOYSA-N 0 0 358.357 4.110 50 30 FIEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000004385980 570766554 /nfs/dbraw/zinc/76/65/54/570766554.db2.gz SADPRRIEFPCQNX-MRXNPFEDSA-N 0 0 365.864 4.240 50 30 FIEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1Cl ZINC000013590592 570779986 /nfs/dbraw/zinc/77/99/86/570779986.db2.gz VRUGWFRVJHESGT-CQSZACIVSA-N 0 0 351.258 4.455 50 30 FIEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000004472843 570794968 /nfs/dbraw/zinc/79/49/68/570794968.db2.gz APJIGOSLGVEYBG-NEHIUCFPSA-N 0 0 353.418 4.079 50 30 biogenic FIEARN CCOc1cccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1OC ZINC000015016040 570829630 /nfs/dbraw/zinc/82/96/30/570829630.db2.gz HXTPNTDNURLPSE-WJDWOHSUSA-N 0 0 372.421 4.125 50 30 FIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000103406273 570848750 /nfs/dbraw/zinc/84/87/50/570848750.db2.gz JXFKDIAERLHAHK-UHFFFAOYSA-N 0 0 370.792 4.260 50 30 FIEARN COc1ccc(NC=C(C(=O)c2ccc(C)cc2)C(=O)C(F)(F)F)cc1 ZINC000103655341 570851716 /nfs/dbraw/zinc/85/17/16/570851716.db2.gz KZZHFOOMUYWMGN-LFIBNONCSA-N 0 0 363.335 4.314 50 30 FIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H](O)c1ccccc1 ZINC000103852162 570853119 /nfs/dbraw/zinc/85/31/19/570853119.db2.gz DIVCPJBAABHJNV-DZSVRRGNSA-N 0 0 367.514 4.334 50 30 FIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000018169718 570876148 /nfs/dbraw/zinc/87/61/48/570876148.db2.gz AMYULXAEKAUHOY-KRWDZBQOSA-N 0 0 359.853 4.261 50 30 FIEARN CCCCOc1ccc(C(=O)C=CNc2cccc(C(=O)OC)c2)cc1 ZINC000044843054 570901627 /nfs/dbraw/zinc/90/16/27/570901627.db2.gz URMOAOZGRUNBJP-OUKQBFOZSA-N 0 0 353.418 4.461 50 30 FIEARN CCCOc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000019972678 570908181 /nfs/dbraw/zinc/90/81/81/570908181.db2.gz LZCUCTUXEAFQAQ-UHFFFAOYSA-N 0 0 351.446 4.176 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NCc2ccncc2)c(C)c1 ZINC000045939991 570915245 /nfs/dbraw/zinc/91/52/45/570915245.db2.gz GKJUWNBLBBLCKI-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000046010605 570918834 /nfs/dbraw/zinc/91/88/34/570918834.db2.gz LIMWFZMZFZDSDK-UHFFFAOYSA-N 0 0 361.760 4.217 50 30 FIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2C)cc1 ZINC000046125341 570926782 /nfs/dbraw/zinc/92/67/82/570926782.db2.gz 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O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000096401753 571335823 /nfs/dbraw/zinc/33/58/23/571335823.db2.gz MPAFCLBQVJEHTK-CLFYSBASSA-N 0 0 373.408 4.328 50 30 FIEARN C=C(C)CN(CC)C(=O)/C=C1/Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000022323192 571336571 /nfs/dbraw/zinc/33/65/71/571336571.db2.gz BTPCFLJSOOUGDU-RIYZIHGNSA-N 0 0 370.396 4.058 50 30 FIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000002746830 571340741 /nfs/dbraw/zinc/34/07/41/571340741.db2.gz BPPDYNCVXRGFNG-NSHDSACASA-N 0 0 354.431 4.116 50 30 FIEARN CCCCCCCCNC(=O)c1sc2ncn(CCC)c(=O)c2c1C ZINC000002910918 571341634 /nfs/dbraw/zinc/34/16/34/571341634.db2.gz VSBNTQOYARQMSH-UHFFFAOYSA-N 0 0 363.527 4.267 50 30 FIEARN C=C(C)CNC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000003287995 571346706 /nfs/dbraw/zinc/34/67/06/571346706.db2.gz CNRXOLKWOCTQHS-GOSISDBHSA-N 0 0 350.915 4.061 50 30 FIEARN Cc1c(Cl)cccc1-n1c(SCCC#N)nnc1-c1ccncc1 ZINC000003341634 571347822 /nfs/dbraw/zinc/34/78/22/571347822.db2.gz RIWKPJISGCNCCR-UHFFFAOYSA-N 0 0 355.854 4.297 50 30 FIEARN CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(C#N)cc3)c2)cc1 ZINC000003458968 571350053 /nfs/dbraw/zinc/35/00/53/571350053.db2.gz GNJARFDJFFASGV-UHFFFAOYSA-N 0 0 357.365 4.370 50 30 FIEARN Cc1cc(SCC(=O)NC2(C#N)CCCCCC2)nc2ccccc12 ZINC000058364434 571350902 /nfs/dbraw/zinc/35/09/02/571350902.db2.gz YKHLIIRWGNDYSY-UHFFFAOYSA-N 0 0 353.491 4.368 50 30 FIEARN Cc1cccc(Cn2cccc2/C=N/NC(=S)Nc2ccccc2C)c1 ZINC000003587528 571351391 /nfs/dbraw/zinc/35/13/91/571351391.db2.gz YOVCYCRNUHFMHB-HYARGMPZSA-N 0 0 362.502 4.474 50 30 FIEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O ZINC000217910197 571351466 /nfs/dbraw/zinc/35/14/66/571351466.db2.gz CBIXLPYQLJTDRU-LBPRGKRZSA-N 0 0 370.788 4.356 50 30 biogenic FIEARN COC(=O)c1nc(-c2ccccc2)oc1SCc1cccc(C#N)c1 ZINC000606422449 571353490 /nfs/dbraw/zinc/35/34/90/571353490.db2.gz KRFULSIPZBLPAJ-UHFFFAOYSA-N 0 0 350.399 4.292 50 30 FIEARN C=C(C)COc1ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc2c1 ZINC000004085231 571354959 /nfs/dbraw/zinc/35/49/59/571354959.db2.gz VUISACKHMQZIIJ-UHFFFAOYSA-N 0 0 352.386 4.432 50 30 biogenic FIEARN C=CCN1C(=O)C(=Cc2cn([C@@H](C)CC)c3ccccc23)C(=O)NC1=S ZINC000004124047 571355824 /nfs/dbraw/zinc/35/58/24/571355824.db2.gz JMTZEFVIHVQALI-XDUBLRSXSA-N 0 0 367.474 4.265 50 30 FIEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cccs1 ZINC000008156968 571359615 /nfs/dbraw/zinc/35/96/15/571359615.db2.gz MSXHFCIONCDWKR-ZDUSSCGKSA-N 0 0 373.547 4.409 50 30 FIEARN COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)ccc1O ZINC000008277464 571360245 /nfs/dbraw/zinc/36/02/45/571360245.db2.gz FPANQRGXEUPSMG-CXUHLZMHSA-N 0 0 374.849 4.254 50 30 FIEARN COc1ccc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000023608964 1081010970 /nfs/dbraw/zinc/01/09/70/1081010970.db2.gz SBWHVKZFKUEDPO-OTYYAQKOSA-N 0 0 365.385 4.442 50 30 FIEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004977077 1086429927 /nfs/dbraw/zinc/42/99/27/1086429927.db2.gz LBKQFUAZHWLODL-WOJGMQOQSA-N 0 0 352.306 4.209 50 30 FIEARN CC(C)c1nc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cs1 ZINC000888101976 1086784575 /nfs/dbraw/zinc/78/45/75/1086784575.db2.gz UPBKWLYHWMMXCK-UHFFFAOYSA-N 0 0 365.340 4.269 50 30 FIEARN CCOc1cc2ccccc2cc1C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000014074965 1090226532 /nfs/dbraw/zinc/22/65/32/1090226532.db2.gz HUEUAOIKBOMCKX-UHFFFAOYSA-N 0 0 368.820 4.369 50 30 FIEARN CC1(C)CCCc2sc(NC(=O)N[C@@H]3CCCc4[nH]c(=O)ccc43)nc21 ZINC000329518526 1091004101 /nfs/dbraw/zinc/00/41/01/1091004101.db2.gz NOGWSGOHMQBKTM-CYBMUJFWSA-N 0 0 372.494 4.261 50 30 FIEARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1OC ZINC000000852485 1091901055 /nfs/dbraw/zinc/90/10/55/1091901055.db2.gz WYILAFQIQSQDHA-QGZVFWFLSA-N 0 0 368.820 4.377 50 30 FIEARN C#CCOc1ccc(/C=C2/c3cc(Cl)ccc3NC2=O)cc1OCC ZINC000096662872 1111222198 /nfs/dbraw/zinc/22/21/98/1111222198.db2.gz LUNJHGKWPNKMPL-YBEGLDIGSA-N 0 0 353.805 4.243 50 30 FIEARN COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000096973214 1111854297 /nfs/dbraw/zinc/85/42/97/1111854297.db2.gz NWBXCODLELSDCV-TYVLLQCESA-N 0 0 351.358 4.139 50 30 FIEARN COc1cc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O ZINC000097152387 1111902703 /nfs/dbraw/zinc/90/27/03/1111902703.db2.gz HVWAOQMDVWRCPP-BAQGIRSFSA-N 0 0 368.307 4.204 50 30 FIEARN CCc1ccc(Cn2nccc2NC(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000029766212 1114374516 /nfs/dbraw/zinc/37/45/16/1114374516.db2.gz UDTITBXLIMEHAR-VAWYXSNFSA-N 0 0 356.429 4.017 50 30 FIEARN COc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c(OC)c1 ZINC000033906909 1122180350 /nfs/dbraw/zinc/18/03/50/1122180350.db2.gz LAAZTRFINMWDHF-YVNNLAQVSA-N 0 0 368.462 4.033 50 30 FIEARN O=C(/C=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000033751126 1122999203 /nfs/dbraw/zinc/99/92/03/1122999203.db2.gz SYOJRQGIROWNMN-WZUFQYTHSA-N 0 0 352.390 4.187 50 30 FIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000001061675 219361866 /nfs/dbraw/zinc/36/18/66/219361866.db2.gz UJBDBLZFCSNRHQ-INIZCTEOSA-N 0 0 361.319 4.194 50 30 FIEARN CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)c1C ZINC000221425382 209712281 /nfs/dbraw/zinc/71/22/81/209712281.db2.gz JNFMGFXAGFJJIE-UHFFFAOYSA-N 0 0 363.461 4.063 50 30 FIEARN N#Cc1c(NC(=O)c2ccc(Br)cc2F)sc2c1CCC2 ZINC000004070197 209498662 /nfs/dbraw/zinc/49/86/62/209498662.db2.gz DXMNNMDYVRHPCU-UHFFFAOYSA-N 0 0 365.227 4.262 50 30 FIEARN C=CCN1c2cc(NC(=O)c3cccc(F)c3)ccc2OCC(C)(C)C1=O ZINC000008959568 209479129 /nfs/dbraw/zinc/47/91/29/209479129.db2.gz IYICHLXBIPSDGE-UHFFFAOYSA-N 0 0 368.408 4.016 50 30 FIEARN O=C1C=C(c2cccs2)C[C@@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000001211392 209385735 /nfs/dbraw/zinc/38/57/35/209385735.db2.gz VFZRDMUFNQTSBQ-YVEFUNNKSA-N 0 0 371.443 4.296 50 30 FIEARN CCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N/c1ccccc1 ZINC000103217607 209247692 /nfs/dbraw/zinc/24/76/92/209247692.db2.gz GHQKAXCGUHYHPR-NLIDQGKYSA-N 0 0 368.458 4.415 50 30 FIEARN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000102872568 209244490 /nfs/dbraw/zinc/24/44/90/209244490.db2.gz JQEUIKXPLHWZCD-GNFOSXPUSA-N 0 0 373.449 4.168 50 30 FIEARN Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)c2ccccc2)cc1 ZINC000101074499 209221023 /nfs/dbraw/zinc/22/10/23/209221023.db2.gz VEDFPFNFUGDZLW-DQRAZIAOSA-N 0 0 364.470 4.267 50 30 FIEARN Cc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1 ZINC000100004491 209207177 /nfs/dbraw/zinc/20/71/77/209207177.db2.gz VAYWSYYFZNECBO-FQEVSTJZSA-N 0 0 372.461 4.447 50 30 FIEARN CCOc1ccc(/N=C2\SCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000097492356 209183162 /nfs/dbraw/zinc/18/31/62/209183162.db2.gz PSDUEIUAOUOVNC-VXPUYCOJSA-N 0 0 356.447 4.252 50 30 FIEARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000097413279 209180490 /nfs/dbraw/zinc/18/04/90/209180490.db2.gz MCWBSUCGHDEUNI-UHFFFAOYSA-N 0 0 370.456 4.083 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000097104963 209170897 /nfs/dbraw/zinc/17/08/97/209170897.db2.gz FIEASBBHPYPMEO-PZJWPPBQSA-N 0 0 368.404 4.154 50 30 FIEARN C=CCOc1ccccc1C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000012920957 220043289 /nfs/dbraw/zinc/04/32/89/220043289.db2.gz GLCRLLKRJIFXPJ-UHFFFAOYSA-N 0 0 371.506 4.336 50 30 FIEARN CCCCCN1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O ZINC000005274933 206690147 /nfs/dbraw/zinc/69/01/47/206690147.db2.gz JNXBXHNYKIMSGA-OBGWFSINSA-N 0 0 355.459 4.105 50 30 FIEARN C=CCC1(OC)CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000095504779 206692971 /nfs/dbraw/zinc/69/29/71/206692971.db2.gz OWXZGURPRXLPNY-UHFFFAOYSA-N 0 0 358.360 4.174 50 30 FIEARN C=CCN(CC=C)C(=O)Nc1ccc(C)c(NC(=O)N(CC=C)CC=C)c1 ZINC000004775408 206707675 /nfs/dbraw/zinc/70/76/75/206707675.db2.gz CLLVAYOJIXSSDC-UHFFFAOYSA-N 0 0 368.481 4.407 50 30 FIEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000005556228 206709199 /nfs/dbraw/zinc/70/91/99/206709199.db2.gz KDBWTSYRBQWKLV-QGZVFWFLSA-N 0 0 351.789 4.178 50 30 FIEARN C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000002282823 206743009 /nfs/dbraw/zinc/74/30/09/206743009.db2.gz VRFMIKRMEWUIIO-UHFFFAOYSA-N 0 0 368.527 4.468 50 30 FIEARN CCOC(=O)CSc1nc(C2CC2)cc(-c2ccc(OC)cc2)c1C#N ZINC000000753990 206830217 /nfs/dbraw/zinc/83/02/17/206830217.db2.gz KDEFKVVGXQBQHH-UHFFFAOYSA-N 0 0 368.458 4.161 50 30 FIEARN N#Cc1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1ccc(F)cc1 ZINC000000803989 206834052 /nfs/dbraw/zinc/83/40/52/206834052.db2.gz TWBXPXSVVHUWOW-UHFFFAOYSA-N 0 0 355.369 4.455 50 30 FIEARN Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)c1 ZINC000000860538 206840358 /nfs/dbraw/zinc/84/03/58/206840358.db2.gz GRXKWLYYCFSSAW-UHFFFAOYSA-N 0 0 351.475 4.261 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000000812535 206835354 /nfs/dbraw/zinc/83/53/54/206835354.db2.gz AWEFHQHEUGHFCJ-YLJYHZDGSA-N 0 0 369.486 4.133 50 30 FIEARN Fc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21 ZINC000002050272 206900156 /nfs/dbraw/zinc/90/01/56/206900156.db2.gz AIVJQYZHPCWBDR-UHFFFAOYSA-N 0 0 363.236 4.191 50 30 FIEARN CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1 ZINC000002450675 206915716 /nfs/dbraw/zinc/91/57/16/206915716.db2.gz SZAKWCMAJDDKGG-UHFFFAOYSA-N 0 0 364.474 4.349 50 30 FIEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1Cn1nc(C)cc1C ZINC000003895454 206993956 /nfs/dbraw/zinc/99/39/56/206993956.db2.gz SLELDICKKUWKTQ-YBFXNURJSA-N 0 0 358.441 4.379 50 30 FIEARN CSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436318 207020252 /nfs/dbraw/zinc/02/02/52/207020252.db2.gz YGNFDCAKJDRVOF-CYBMUJFWSA-N 0 0 360.508 4.028 50 30 FIEARN COc1ccc(-c2nc(N=NCc3ccc(F)cc3)sc2C)c(F)c1 ZINC000004528522 207024884 /nfs/dbraw/zinc/02/48/84/207024884.db2.gz XKCFGRBALANJKH-UFFVCSGVSA-N 0 0 359.401 4.273 50 30 FIEARN COc1ccc(C=NNc2ccnc3cc(Cl)ccc32)c(OC)c1OC ZINC000004561125 207028607 /nfs/dbraw/zinc/02/86/07/207028607.db2.gz SPWNQHZOZZNWJV-SSDVNMTOSA-N 0 0 371.824 4.360 50 30 FIEARN C[C@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004593562 207031182 /nfs/dbraw/zinc/03/11/82/207031182.db2.gz SSCRIPTVQFSGHN-PGBBXINNSA-N 0 0 350.422 4.355 50 30 FIEARN COc1ccc2[nH]cc(CC/N=C3/CCc4cc(OC)c(OC)cc43)c2c1 ZINC000004632141 207033768 /nfs/dbraw/zinc/03/37/68/207033768.db2.gz ZWTXTIKDWWTGBF-NMWGTECJSA-N 0 0 364.445 4.172 50 30 FIEARN CCOc1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000004663830 207035274 /nfs/dbraw/zinc/03/52/74/207035274.db2.gz SNRJMCFONYURHR-HXUWFJFHSA-N 0 0 371.436 4.387 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000004759916 207047061 /nfs/dbraw/zinc/04/70/61/207047061.db2.gz GTKHYYJGYAEFIG-QGZVFWFLSA-N 0 0 359.853 4.117 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1 ZINC000004920090 207063219 /nfs/dbraw/zinc/06/32/19/207063219.db2.gz ZVVVKJSVHCCOLC-UNMCSNQZSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1 ZINC000004918874 207063257 /nfs/dbraw/zinc/06/32/57/207063257.db2.gz AWRCGTJTUWYUEF-APWZRJJASA-N 0 0 356.443 4.076 50 30 FIEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c1C#N ZINC000004880740 207058492 /nfs/dbraw/zinc/05/84/92/207058492.db2.gz NFWFXKGYGYVGGI-UHFFFAOYSA-N 0 0 367.430 4.407 50 30 FIEARN Cn1cccc1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000005184898 207085513 /nfs/dbraw/zinc/08/55/13/207085513.db2.gz WKRKMGASVKWTJW-WQLSENKSSA-N 0 0 352.246 4.224 50 30 FIEARN Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C#N)c(C)c1C ZINC000005172354 207084268 /nfs/dbraw/zinc/08/42/68/207084268.db2.gz QOJMUTFYHSPXMQ-UHFFFAOYSA-N 0 0 370.865 4.134 50 30 FIEARN CCc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2)cc1 ZINC000005327933 207094999 /nfs/dbraw/zinc/09/49/99/207094999.db2.gz HTXAWKWRONRNDU-UHFFFAOYSA-N 0 0 364.470 4.497 50 30 FIEARN CCCCOc1ccc(NC(=O)CSc2nc(C)ccc2C#N)cc1 ZINC000005585006 207107669 /nfs/dbraw/zinc/10/76/69/207107669.db2.gz NQDAREXUHOAUBO-UHFFFAOYSA-N 0 0 355.463 4.171 50 30 FIEARN O=C(/C=C/c1coc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000005787970 207116155 /nfs/dbraw/zinc/11/61/55/207116155.db2.gz AQXAMDTXSACVFN-JXMROGBWSA-N 0 0 355.187 4.452 50 30 FIEARN Cc1cc(C)c2nc(SCC(=O)N[C@@](C)(C#N)C(C)C)cc(C)c2c1 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COc1cccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000006768766 207163100 /nfs/dbraw/zinc/16/31/00/207163100.db2.gz WVEOCPIMTQZSGS-HBUWYVDXSA-N 0 0 363.465 4.446 50 30 FIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000006819816 207169843 /nfs/dbraw/zinc/16/98/43/207169843.db2.gz CDVYWMXSISIVRG-ZFWWWQNUSA-N 0 0 367.470 4.151 50 30 FIEARN O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000006820439 207170157 /nfs/dbraw/zinc/17/01/57/207170157.db2.gz FZHDZRCFOVCQPU-GXFFZTMASA-N 0 0 359.397 4.031 50 30 FIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000006819819 207170288 /nfs/dbraw/zinc/17/02/88/207170288.db2.gz CDVYWMXSISIVRG-DZGCQCFKSA-N 0 0 367.470 4.151 50 30 FIEARN O=C1C[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819790 207170344 /nfs/dbraw/zinc/17/03/44/207170344.db2.gz DBWRHXJXPLJKCI-DOMZBBRYSA-N 0 0 369.823 4.483 50 30 FIEARN O=C1C[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819522 207170715 /nfs/dbraw/zinc/17/07/15/207170715.db2.gz XXPJQOJDEVEDEU-ZBFHGGJFSA-N 0 0 351.833 4.344 50 30 FIEARN C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000007108744 207186755 /nfs/dbraw/zinc/18/67/55/207186755.db2.gz PKFNBNOHGBUUKM-SNVBAGLBSA-N 0 0 363.200 4.049 50 30 FIEARN Cc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 ZINC000007739992 207205044 /nfs/dbraw/zinc/20/50/44/207205044.db2.gz IFHUGMDNZCEMBN-OAQYLSRUSA-N 0 0 362.454 4.213 50 30 FIEARN CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1C(=O)c1ccccc1 ZINC000009134013 207258713 /nfs/dbraw/zinc/25/87/13/207258713.db2.gz FIWRBYQPKWDGGU-QGZVFWFLSA-N 0 0 350.809 4.103 50 30 FIEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(F)cc2)C1 ZINC000009318596 207265296 /nfs/dbraw/zinc/26/52/96/207265296.db2.gz QFWQONAGRASPHP-YCRPNKLZSA-N 0 0 374.419 4.141 50 30 FIEARN N#Cc1ccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)nc1 ZINC000022978013 207831082 /nfs/dbraw/zinc/83/10/82/207831082.db2.gz ACHFURNJUFGTIW-UHFFFAOYSA-N 0 0 365.440 4.477 50 30 FIEARN COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000040133837 207968296 /nfs/dbraw/zinc/96/82/96/207968296.db2.gz YNGMSUOORXTWSJ-UHOSZYNNSA-N 0 0 370.493 4.153 50 30 FIEARN N#Cc1ccc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000032825502 208046829 /nfs/dbraw/zinc/04/68/29/208046829.db2.gz BZAXMFUPXRPXBT-SFHVURJKSA-N 0 0 374.271 4.468 50 30 FIEARN N#CCSc1nc2ccsc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000032093568 208024255 /nfs/dbraw/zinc/02/42/55/208024255.db2.gz IXRKCVMTKYCLAD-UHFFFAOYSA-N 0 0 367.377 4.082 50 30 FIEARN O=C(/C=C1\C(=O)Nc2c1cccc2Cl)c1ccc(Br)s1 ZINC000032071677 208024601 /nfs/dbraw/zinc/02/46/01/208024601.db2.gz JOFVGPAOUBRZKF-VURMDHGXSA-N 0 0 368.639 4.382 50 30 FIEARN Cc1nc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000032887942 208052679 /nfs/dbraw/zinc/05/26/79/208052679.db2.gz JKUJOQKORAYGEK-CXAGYDPISA-N 0 0 367.518 4.279 50 30 FIEARN CC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000033920726 208101424 /nfs/dbraw/zinc/10/14/24/208101424.db2.gz 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Cc1sc(-c2nnc(C3CCC3)o2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000065149415 221172816 /nfs/dbraw/zinc/17/28/16/221172816.db2.gz QGBQWBJUZMOWTN-UHFFFAOYSA-N 0 0 364.430 4.498 50 30 FIEARN N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 ZINC000008448677 132259867 /nfs/dbraw/zinc/25/98/67/132259867.db2.gz PRFDERTYDXXSTP-NRFANRHFSA-N 0 0 370.408 4.104 50 30 FIEARN C=CCN1CCN(c2nc(CCCC)nc3sc4c(c32)CCCC4)CC1 ZINC000035892760 132374436 /nfs/dbraw/zinc/37/44/36/132374436.db2.gz YNSGGEZHTMWRTH-UHFFFAOYSA-N 0 0 370.566 4.221 50 30 FIEARN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1 ZINC000002250431 132382925 /nfs/dbraw/zinc/38/29/25/132382925.db2.gz URSPPJNPWAPXDA-QGZVFWFLSA-N 0 0 362.385 4.122 50 30 FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCc4ccccc43)sc2C1 ZINC000002627501 132383782 /nfs/dbraw/zinc/38/37/82/132383782.db2.gz QNRDNDJZNDCAKW-CQSZACIVSA-N 0 0 365.502 4.136 50 30 FIEARN OCCCCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095686652 209085694 /nfs/dbraw/zinc/08/56/94/209085694.db2.gz BEMDKZLEDMTSTG-UHFFFAOYSA-N 0 0 354.159 4.047 50 30 FIEARN C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000001164807 263143423 /nfs/dbraw/zinc/14/34/23/263143423.db2.gz YWUIPFPTTQIPAO-CPNJWEJPSA-N 0 0 363.438 4.244 50 30 FIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000002894870 263327280 /nfs/dbraw/zinc/32/72/80/263327280.db2.gz PALIEPTWRRGFKU-LJQANCHMSA-N 0 0 357.425 4.137 50 30 FIEARN COc1ccccc1CN=Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000005008565 263337923 /nfs/dbraw/zinc/33/79/23/263337923.db2.gz LZVAIUFOEYYUGD-OEAKJJBVSA-N 0 0 355.401 4.146 50 30 FIEARN C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)CC ZINC000006723388 263346543 /nfs/dbraw/zinc/34/65/43/263346543.db2.gz VRAJFAVLLIMFRI-UHFFFAOYSA-N 0 0 352.265 4.163 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(C)c1 ZINC000009328149 263360887 /nfs/dbraw/zinc/36/08/87/263360887.db2.gz JWMAGQSQJDTKPW-UHFFFAOYSA-N 0 0 374.469 4.286 50 30 FIEARN C[C@](C#N)(NC(=O)CNc1ccccc1SCc1ccccc1)C1CC1 ZINC000022017913 263385320 /nfs/dbraw/zinc/38/53/20/263385320.db2.gz DFWAFPHOQQYALP-OAQYLSRUSA-N 0 0 365.502 4.199 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000097104964 263430730 /nfs/dbraw/zinc/43/07/30/263430730.db2.gz FIEASBBHPYPMEO-FPOVZHCZSA-N 0 0 368.404 4.154 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccnc1 ZINC000000921363 517503442 /nfs/dbraw/zinc/50/34/42/517503442.db2.gz FSXSLTZZUMNOKK-UHFFFAOYSA-N 0 0 351.446 4.482 50 30 FIEARN C/C(CCS(=O)(=O)c1ccccc1)=N/OCc1ccc(Cl)cc1 ZINC000004059975 518474556 /nfs/dbraw/zinc/47/45/56/518474556.db2.gz GOWALOYEJIIPIH-RGEXLXHISA-N 0 0 351.855 4.097 50 30 FIEARN CC(C)(C#N)c1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1 ZINC000225421201 518507464 /nfs/dbraw/zinc/50/74/64/518507464.db2.gz WJLYQUYFLYJLRV-UHFFFAOYSA-N 0 0 359.473 4.365 50 30 FIEARN C=CCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C(=O)c1cccc(F)c1 ZINC000006873167 518773705 /nfs/dbraw/zinc/77/37/05/518773705.db2.gz IMRGIYISAUAJPW-SFHVURJKSA-N 0 0 372.827 4.301 50 30 FIEARN C=CCSc1ccccc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000032808786 519079085 /nfs/dbraw/zinc/07/90/85/519079085.db2.gz WNHWDJNCMAENRH-UHFFFAOYSA-N 0 0 368.437 4.245 50 30 FIEARN C=CCn1c(C(=O)NCCc2ccccc2OC)cc2sc(C)cc21 ZINC000037525844 519166054 /nfs/dbraw/zinc/16/60/54/519166054.db2.gz XXXFLLFTHLRCJD-UHFFFAOYSA-N 0 0 354.475 4.178 50 30 FIEARN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000004295826 519188454 /nfs/dbraw/zinc/18/84/54/519188454.db2.gz BKAUCIPDNSLOLO-UHFFFAOYSA-N 0 0 362.458 4.207 50 30 FIEARN C=CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccnc1 ZINC000134210518 519247961 /nfs/dbraw/zinc/24/79/61/519247961.db2.gz URACEOXCEGYGAW-GOSISDBHSA-N 0 0 361.474 4.062 50 30 FIEARN C=CCn1nnc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000032617070 519291852 /nfs/dbraw/zinc/29/18/52/519291852.db2.gz WKGPREVFZHPNRW-UHFFFAOYSA-N 0 0 350.209 4.038 50 30 FIEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1 ZINC000103065622 519974804 /nfs/dbraw/zinc/97/48/04/519974804.db2.gz JAZBCROMPQCNCD-UHFFFAOYSA-N 0 0 351.491 4.383 50 30 FIEARN CCCOc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)c(O)c1 ZINC000004947251 520323742 /nfs/dbraw/zinc/32/37/42/520323742.db2.gz JLCLZLQOSQRNEY-HYARGMPZSA-N 0 0 362.433 4.392 50 30 FIEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1 ZINC000244853017 520340158 /nfs/dbraw/zinc/34/01/58/520340158.db2.gz VDSBAWPVVAVEPD-UHFFFAOYSA-N 0 0 352.463 4.213 50 30 FIEARN CCOc1cc2c(cc1/C=C/C(=O)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 ZINC000007744537 520789936 /nfs/dbraw/zinc/78/99/36/520789936.db2.gz ZSOMVXQCTZHIIV-OWNNVSBGSA-N 0 0 368.429 4.322 50 30 FIEARN CCCCOc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004401808 520911943 /nfs/dbraw/zinc/91/19/43/520911943.db2.gz DQBRHFRIMZEPDC-LDADJPATSA-N 0 0 358.354 4.128 50 30 FIEARN COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCC#N ZINC000006441224 521936707 /nfs/dbraw/zinc/93/67/07/521936707.db2.gz HFWNAIRKEUJHRT-KRXBUXKQSA-N 0 0 372.218 4.256 50 30 FIEARN CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000225416763 522395619 /nfs/dbraw/zinc/39/56/19/522395619.db2.gz FBLUFKCVGVRYSE-MJGOQNOKSA-N 0 0 364.445 4.113 50 30 FIEARN COc1ccc(C(=O)/C=C\c2cccc(OC)c2OC(F)F)cc1F ZINC000096861709 523544218 /nfs/dbraw/zinc/54/42/18/523544218.db2.gz ARSMAUXKULCHRX-VURMDHGXSA-N 0 0 352.308 4.340 50 30 FIEARN CCc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 ZINC000004047992 523866100 /nfs/dbraw/zinc/86/61/00/523866100.db2.gz IBSBGMYNGLETNW-WSDLNYQXSA-N 0 0 363.421 4.406 50 30 FIEARN CC[C@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055090329 523942518 /nfs/dbraw/zinc/94/25/18/523942518.db2.gz ILXGZNQBHBLXQO-HNNXBMFYSA-N 0 0 373.880 4.496 50 30 FIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000096765446 523995352 /nfs/dbraw/zinc/99/53/52/523995352.db2.gz ATNDGCZECUNDAA-QINSGFPZSA-N 0 0 359.425 4.203 50 30 FIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C(C)(C)C)[nH]1 ZINC000101992119 524034561 /nfs/dbraw/zinc/03/45/61/524034561.db2.gz MNUHMAUOZFAJMT-WJDWOHSUSA-N 0 0 370.522 4.075 50 30 FIEARN COc1cccc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)c1 ZINC000006235323 525762211 /nfs/dbraw/zinc/76/22/11/525762211.db2.gz JYFJRCDEQVLCJI-IZZDOVSWSA-N 0 0 352.459 4.305 50 30 FIEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000244724708 525854988 /nfs/dbraw/zinc/85/49/88/525854988.db2.gz MZDHJNQUBNRBSS-UHFFFAOYSA-N 0 0 362.380 4.443 50 30 FIEARN N#CC1(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CCCC1 ZINC000024441276 526431978 /nfs/dbraw/zinc/43/19/78/526431978.db2.gz XXFLEKXLRHDZQU-LJQANCHMSA-N 0 0 357.457 4.500 50 30 FIEARN N#CCCn1ccc(NC(=O)Nc2cccc(COC3CCCCC3)c2)n1 ZINC000097164681 526467941 /nfs/dbraw/zinc/46/79/41/526467941.db2.gz OBRLEGVVPSFNNR-UHFFFAOYSA-N 0 0 367.453 4.290 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](c1ccncc1)CC(=O)O3 ZINC000253409487 527124580 /nfs/dbraw/zinc/12/45/80/527124580.db2.gz LXUKJVOSOADEGN-UEXNTNOUSA-N 0 0 369.376 4.139 50 30 biogenic FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1ccncc1)CC(=O)O3 ZINC000253409484 527124607 /nfs/dbraw/zinc/12/46/07/527124607.db2.gz LXUKJVOSOADEGN-LSPINASFSA-N 0 0 369.376 4.139 50 30 biogenic FIEARN O=C(C=CC=Nc1cccc([N+](=O)[O-])c1)CNc1cccc([N+](=O)[O-])c1 ZINC000016310589 527384410 /nfs/dbraw/zinc/38/44/10/527384410.db2.gz TZUBHFHQHQNIEQ-HSPZSGPESA-N 0 0 354.322 4.273 50 30 FIEARN O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2ncnc3ccccc32)o1 ZINC000004536930 527396156 /nfs/dbraw/zinc/39/61/56/527396156.db2.gz FPGABNCSHCNLNO-SSDVNMTOSA-N 0 0 359.345 4.244 50 30 FIEARN O=C(/C(=N\N=C\c1ccc2c(c1)OCO2)c1ccccc1)c1ccccc1 ZINC000001026940 527592595 /nfs/dbraw/zinc/59/25/95/527592595.db2.gz OAZCDDWGLLBVMQ-YUPNQUPXSA-N 0 0 356.381 4.121 50 30 FIEARN O=C(/C=C/c1ccccc1C(F)(F)F)c1cccc(N2CCOCC2)c1 ZINC000011334582 527633578 /nfs/dbraw/zinc/63/35/78/527633578.db2.gz ZAYNZTFRALMRAR-CMDGGOBGSA-N 0 0 361.363 4.438 50 30 FIEARN CCC(CC)c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000016741540 535161764 /nfs/dbraw/zinc/16/17/64/535161764.db2.gz JAEHDTAFDLAFMB-UHFFFAOYSA-N 0 0 358.873 4.430 50 30 FIEARN CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC ZINC000000720598 568137411 /nfs/dbraw/zinc/13/74/11/568137411.db2.gz UDYSPSYPOMBKPP-UHFFFAOYSA-N 0 0 370.474 4.087 50 30 FIEARN N#Cc1ccccc1OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000024833711 568159850 /nfs/dbraw/zinc/15/98/50/568159850.db2.gz WYPYGDWFANCCGS-UHFFFAOYSA-N 0 0 368.742 4.186 50 30 FIEARN Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000000799292 568251675 /nfs/dbraw/zinc/25/16/75/568251675.db2.gz OINXLZPTIJURMU-SNVBAGLBSA-N 0 0 355.419 4.214 50 30 FIEARN COC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CC[C@@H](C)C2 ZINC000000830540 568334249 /nfs/dbraw/zinc/33/42/49/568334249.db2.gz AGLKFGAQMBQFDE-JZOCJUILSA-N 0 0 359.447 4.124 50 30 FIEARN C=CCC(CC=C)(CNC(=S)NC(=O)c1ccccc1)c1ccccc1 ZINC000002866948 568393559 /nfs/dbraw/zinc/39/35/59/568393559.db2.gz JKOUQUVNFMCIJH-UHFFFAOYSA-N 0 0 364.514 4.381 50 30 FIEARN CCOc1cccc(C2N=NC(=S)N2N=CC(C)=Cc2ccco2)c1 ZINC000000731906 570454021 /nfs/dbraw/zinc/45/40/21/570454021.db2.gz HPTMKFBGCJRZQR-STHKOIKCSA-N 0 0 354.435 4.163 50 30 FIEARN N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1 ZINC000000891985 570462775 /nfs/dbraw/zinc/46/27/75/570462775.db2.gz WETRTPSBTOVHDT-SFHVURJKSA-N 0 0 355.235 4.104 50 30 FIEARN C=CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000022627741 570463064 /nfs/dbraw/zinc/46/30/64/570463064.db2.gz SEHKXMSWROIOSK-JOCHJYFZSA-N 0 0 351.446 4.144 50 30 FIEARN CSCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C#N)cc1 ZINC000023304815 570472355 /nfs/dbraw/zinc/47/23/55/570472355.db2.gz GMQFBNNZYZYGRB-UHFFFAOYSA-N 0 0 362.458 4.103 50 30 FIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000001104559 570480562 /nfs/dbraw/zinc/48/05/62/570480562.db2.gz ZTXSQOORGIXCFG-UDWIEESQSA-N 0 0 374.849 4.221 50 30 FIEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1OC ZINC000001170098 570486829 /nfs/dbraw/zinc/48/68/29/570486829.db2.gz FBKRCOGMORAUHG-OAQYLSRUSA-N 0 0 350.418 4.290 50 30 FIEARN Cc1oc(/N=C/c2ccc(I)cc2)c(C#N)c1C ZINC000001231853 570495777 /nfs/dbraw/zinc/49/57/77/570495777.db2.gz HTAZDIVACKZMRW-CAOOACKPSA-N 0 0 350.159 4.123 50 30 FIEARN COc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC000001385453 570498165 /nfs/dbraw/zinc/49/81/65/570498165.db2.gz FPOQMLWYZCRFLL-LLVKDONJSA-N 0 0 356.731 4.426 50 30 FIEARN O=C1C(Cl)=C(Cl)C(=O)C2=C1C1c3ccccc3C2c2ccccc21 ZINC000001673573 570504161 /nfs/dbraw/zinc/50/41/61/570504161.db2.gz BHXOWUDBEKWKER-UHFFFAOYSA-N 0 0 353.204 4.415 50 30 FIEARN CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccccc2)c(C)c1)C(F)(F)F ZINC000002050597 570512329 /nfs/dbraw/zinc/51/23/29/570512329.db2.gz RJKYDMFXSUINFQ-KCDOPAPYSA-N 0 0 365.351 4.059 50 30 FIEARN Cc1csc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000014085424 570514399 /nfs/dbraw/zinc/51/43/99/570514399.db2.gz ZBQLKODCQZNICY-OAHLLOKOSA-N 0 0 363.442 4.455 50 30 FIEARN Cc1sc2[nH]c([C@H](C)SCc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000014084200 570514405 /nfs/dbraw/zinc/51/44/05/570514405.db2.gz QOZNCRYPSHSOHE-LBPRGKRZSA-N 0 0 355.488 4.468 50 30 FIEARN CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004899089 570556109 /nfs/dbraw/zinc/55/61/09/570556109.db2.gz PSAJILIHHZSBRB-RXSWUABFSA-N 0 0 351.475 4.239 50 30 FIEARN C=CCNC(=O)c1cnc(-c2ccccc2)nc1N(C)c1ccc(C)cc1 ZINC000034922120 570563957 /nfs/dbraw/zinc/56/39/57/570563957.db2.gz HLJLFIQCNIBRAC-UHFFFAOYSA-N 0 0 358.445 4.136 50 30 FIEARN CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003901614 570570874 /nfs/dbraw/zinc/57/08/74/570570874.db2.gz GQQRHQCOHLRROV-LJQANCHMSA-N 0 0 353.462 4.026 50 30 FIEARN COc1ccc(-c2cnnc(N=NCc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000004660075 570598737 /nfs/dbraw/zinc/59/87/37/570598737.db2.gz HNVXXFHZZNTUFB-LPYMAVHISA-N 0 0 361.449 4.291 50 30 FIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000024284009 570626640 /nfs/dbraw/zinc/62/66/40/570626640.db2.gz FANFRWQQXGPHHW-TXEJJXNPSA-N 0 0 371.428 4.162 50 30 FIEARN Cc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005246715 570639948 /nfs/dbraw/zinc/63/99/48/570639948.db2.gz QRYDFAFKCAXGGZ-UTKZUKDTSA-N 0 0 356.429 4.002 50 30 FIEARN C[C@@H](C#N)Sc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000005326090 570678083 /nfs/dbraw/zinc/67/80/83/570678083.db2.gz SGFUDQAMWGOHKZ-AWEZNQCLSA-N 0 0 352.438 4.331 50 30 FIEARN CCNc1ccccc(C(=O)/C=C\c2ccc(Br)cc2)c1=O ZINC000097474756 570688286 /nfs/dbraw/zinc/68/82/86/570688286.db2.gz ORGLRYFFJBRETB-XFXZXTDPSA-N 0 0 358.235 4.137 50 30 FIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000004385041 570766169 /nfs/dbraw/zinc/76/61/69/570766169.db2.gz VNXSQHPPYNBEQH-CQSZACIVSA-N 0 0 351.837 4.396 50 30 FIEARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000024361688 570770202 /nfs/dbraw/zinc/77/02/02/570770202.db2.gz DIARBNKFFSJTTN-UHFFFAOYSA-N 0 0 357.460 4.443 50 30 FIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 ZINC000013285544 570776391 /nfs/dbraw/zinc/77/63/91/570776391.db2.gz WYBIRPIDWVDBFP-HXUWFJFHSA-N 0 0 353.462 4.170 50 30 FIEARN COc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000013519651 570778802 /nfs/dbraw/zinc/77/88/02/570778802.db2.gz UJSLYVRZACPZRK-UHFFFAOYSA-N 0 0 354.834 4.394 50 30 FIEARN N#Cc1c(Cl)nc(N2CCCCC2)c2c1CCN(C1CCCCC1)C2 ZINC000013739092 570788444 /nfs/dbraw/zinc/78/84/44/570788444.db2.gz YQTCSTONLHLTJD-UHFFFAOYSA-N 0 0 358.917 4.288 50 30 FIEARN N#Cc1cccc(NC(=O)CSCc2cccc(Br)c2)c1 ZINC000032794355 570801454 /nfs/dbraw/zinc/80/14/54/570801454.db2.gz ZFOJOFMLUUIHRP-UHFFFAOYSA-N 0 0 361.264 4.193 50 30 FIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 ZINC000014197939 570812200 /nfs/dbraw/zinc/81/22/00/570812200.db2.gz AVRDNYDCVCTITQ-GFCCVEGCSA-N 0 0 355.265 4.446 50 30 FIEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000018195464 570814647 /nfs/dbraw/zinc/81/46/47/570814647.db2.gz BTFZFNGBFCXIPH-SFHVURJKSA-N 0 0 357.413 4.347 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(O)c1)OCO3 ZINC000018197455 570814663 /nfs/dbraw/zinc/81/46/63/570814663.db2.gz HTAAFWRLKUPWHC-HXUWFJFHSA-N 0 0 363.413 4.322 50 30 FIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000014852154 570825024 /nfs/dbraw/zinc/82/50/24/570825024.db2.gz ITNGEIBWOHORSC-UHFFFAOYSA-N 0 0 368.820 4.365 50 30 FIEARN Fc1ccc(NC(=S)N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000017074070 570866561 /nfs/dbraw/zinc/86/65/61/570866561.db2.gz PEGGKLXQXAJFQO-ODCIPOBUSA-N 0 0 359.323 4.304 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(O)c1 ZINC000018126153 570875527 /nfs/dbraw/zinc/87/55/27/570875527.db2.gz UMBVIOYTAPHVDS-IBGZPJMESA-N 0 0 371.436 4.330 50 30 FIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000019314513 570885784 /nfs/dbraw/zinc/88/57/84/570885784.db2.gz NPQSWRYGJGMDMN-SFHVURJKSA-N 0 0 353.462 4.244 50 30 FIEARN CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000019973816 570908287 /nfs/dbraw/zinc/90/82/87/570908287.db2.gz JMBDCYFECSKFBC-UHFFFAOYSA-N 0 0 371.864 4.440 50 30 FIEARN C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1cccs1 ZINC000022553995 570947010 /nfs/dbraw/zinc/94/70/10/570947010.db2.gz YUZJKYFZDZVAHH-PTGBLXJZSA-N 0 0 361.514 4.489 50 30 FIEARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(F)c(C#N)c2)n1 ZINC000049004524 570960969 /nfs/dbraw/zinc/96/09/69/570960969.db2.gz DGTXJCIJIYWXLS-UHFFFAOYSA-N 0 0 364.380 4.258 50 30 FIEARN C=CCn1c(S[C@H](C)C#N)nc2sc(-c3ccccc3)cc2c1=O ZINC000005212708 570969339 /nfs/dbraw/zinc/96/93/39/570969339.db2.gz WZFIHOFUNKXTNB-GFCCVEGCSA-N 0 0 353.472 4.315 50 30 FIEARN CC(C)(O)C#Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000002940775 571013346 /nfs/dbraw/zinc/01/33/46/571013346.db2.gz QWIFGGJAVOEYKH-UHFFFAOYSA-N 0 0 369.464 4.328 50 30 FIEARN Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000025701022 571045496 /nfs/dbraw/zinc/04/54/96/571045496.db2.gz CGOAMMWABOODCT-UHFFFAOYSA-N 0 0 351.475 4.098 50 30 FIEARN CCc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCc2cccnc2)c1 ZINC000046127799 571064785 /nfs/dbraw/zinc/06/47/85/571064785.db2.gz HTHNVSGRWYLXNF-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN N#Cc1ccc(C(=O)N2c3ccccc3NC(=O)C[C@H]2c2ccccc2)cc1 ZINC000072307953 571065079 /nfs/dbraw/zinc/06/50/79/571065079.db2.gz JMVHBFOJXLRWAO-NRFANRHFSA-N 0 0 367.408 4.289 50 30 FIEARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1cccc(C#N)c1 ZINC000012769720 571088801 /nfs/dbraw/zinc/08/88/01/571088801.db2.gz QZZPXBVVIBDHGS-UHFFFAOYSA-N 0 0 350.447 4.047 50 30 FIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000847058 571092813 /nfs/dbraw/zinc/09/28/13/571092813.db2.gz UDWWUMLUYICTRG-LJQANCHMSA-N 0 0 351.402 4.005 50 30 FIEARN CCO[C@H]1C[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C12CCOCC2 ZINC000302255914 571098581 /nfs/dbraw/zinc/09/85/81/571098581.db2.gz OIXWQXBOEXKRMF-MSOLQXFVSA-N 0 0 371.868 4.146 50 30 FIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NC1CCCCC1 ZINC000006729978 571104016 /nfs/dbraw/zinc/10/40/16/571104016.db2.gz KPPLZQJEMPJDIS-UHFFFAOYSA-N 0 0 354.454 4.075 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1cccs1)CN(Cc1ccco1)CO3 ZINC000013691903 571111089 /nfs/dbraw/zinc/11/10/89/571111089.db2.gz KJSIJJUPYRSTEM-NVMNQCDNSA-N 0 0 365.410 4.309 50 30 FIEARN C=C(C)COc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000009877873 571114453 /nfs/dbraw/zinc/11/44/53/571114453.db2.gz UZPFIPBSHGMOKJ-LJQANCHMSA-N 0 0 367.445 4.452 50 30 FIEARN C=CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012040346 571117194 /nfs/dbraw/zinc/11/71/94/571117194.db2.gz FFWNKDRNNVBZOJ-CQSZACIVSA-N 0 0 361.363 4.368 50 30 FIEARN C=CCc1cc(OC)ccc1OCc1nnc(-c2ccc(OC)cc2)o1 ZINC000012980446 571119015 /nfs/dbraw/zinc/11/90/15/571119015.db2.gz MKFZIZNXMRNOFH-UHFFFAOYSA-N 0 0 352.390 4.061 50 30 FIEARN CCc1nc(SCC(=O)Nc2ccccc2)c(C#N)c2c1CCCC2 ZINC000001476127 571119684 /nfs/dbraw/zinc/11/96/84/571119684.db2.gz OYOJSCVOTNXYPT-UHFFFAOYSA-N 0 0 351.475 4.125 50 30 FIEARN C=CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 ZINC000013618323 571120074 /nfs/dbraw/zinc/12/00/74/571120074.db2.gz OYKRFCSMTWXHEP-LGMDPLHJSA-N 0 0 368.483 4.480 50 30 FIEARN N#Cc1c2c(c(Nc3cccc([N+](=O)[O-])c3)n3c4ccccc4nc13)CCC2 ZINC000000886125 571121445 /nfs/dbraw/zinc/12/14/45/571121445.db2.gz PIAJDYLRMMLGEP-UHFFFAOYSA-N 0 0 369.384 4.500 50 30 FIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S ZINC000015011422 571121686 /nfs/dbraw/zinc/12/16/86/571121686.db2.gz OLCXNWYOHRRZLO-ATVHPVEESA-N 0 0 354.500 4.481 50 30 FIEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O ZINC000000981885 571123454 /nfs/dbraw/zinc/12/34/54/571123454.db2.gz KGJMJLRGHYEHPT-GXDHUFHOSA-N 0 0 367.854 4.360 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccoc3C)c2)c1 ZINC000012822607 571123989 /nfs/dbraw/zinc/12/39/89/571123989.db2.gz RSTGEHSAXAXSGI-UHFFFAOYSA-N 0 0 359.381 4.027 50 30 FIEARN Cc1csc(C(C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000073975191 571139138 /nfs/dbraw/zinc/13/91/38/571139138.db2.gz QOMROJGLVVTNMR-FRRDWIJNSA-N 0 0 350.365 4.450 50 30 FIEARN Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C ZINC000000951219 571140364 /nfs/dbraw/zinc/14/03/64/571140364.db2.gz KZMBEAIFTMYWAF-UHFFFAOYSA-N 0 0 354.475 4.441 50 30 FIEARN N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCC2 ZINC000000993992 571141245 /nfs/dbraw/zinc/14/12/45/571141245.db2.gz LRRDOLPWRKXTDL-UHFFFAOYSA-N 0 0 364.426 4.247 50 30 FIEARN CC(C)(C)OC(=O)N[C@@](C)(CS)Cc1ccc(Br)cc1 ZINC000685950609 571142383 /nfs/dbraw/zinc/14/23/83/571142383.db2.gz UXLYCUAVJBIGLV-OAHLLOKOSA-N 0 0 360.317 4.205 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000012919572 571145052 /nfs/dbraw/zinc/14/50/52/571145052.db2.gz ZYDSQBBVXVOLJS-UHFFFAOYSA-N 0 0 367.430 4.072 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000001079790 571145642 /nfs/dbraw/zinc/14/56/42/571145642.db2.gz ZPJLFOUFRGXAEH-OXJNMPFZSA-N 0 0 353.393 4.057 50 30 FIEARN N#Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 ZINC000012926728 571145887 /nfs/dbraw/zinc/14/58/87/571145887.db2.gz DPAPFHUKWYREFL-UHFFFAOYSA-N 0 0 371.444 4.186 50 30 FIEARN C=CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@@H](C)CC4 ZINC000001837458 571172561 /nfs/dbraw/zinc/17/25/61/571172561.db2.gz DLRVCGJAZYQCDZ-VIFPVBQESA-N 0 0 362.549 4.464 50 30 FIEARN CCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OCC ZINC000006386764 571183116 /nfs/dbraw/zinc/18/31/16/571183116.db2.gz YOAARWXKMZZEEE-XSFVSMFZSA-N 0 0 357.479 4.195 50 30 FIEARN CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001228706 571187893 /nfs/dbraw/zinc/18/78/93/571187893.db2.gz HSALOSWBFWRGFT-YBFXNURJSA-N 0 0 358.419 4.462 50 30 FIEARN CC(C)Sc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000053946327 571193964 /nfs/dbraw/zinc/19/39/64/571193964.db2.gz LRKFBGCDNQWLDG-CQSZACIVSA-N 0 0 368.458 4.243 50 30 FIEARN CC(C)[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000026758792 571197785 /nfs/dbraw/zinc/19/77/85/571197785.db2.gz JCSDFPJCWYHHKT-IBGZPJMESA-N 0 0 353.378 4.047 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4oc3=O)sc2C1 ZINC000001959773 571202806 /nfs/dbraw/zinc/20/28/06/571202806.db2.gz DTCXPSAQXNEDBV-NSHDSACASA-N 0 0 364.426 4.103 50 30 FIEARN O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCCCC1 ZINC000039191689 571204596 /nfs/dbraw/zinc/20/45/96/571204596.db2.gz CWEVZYMLUVMXQV-QOCHGBHMSA-N 0 0 353.853 4.251 50 30 FIEARN Cc1c(C(=O)/C=C/c2ccc(COc3cc(C)cc(C)c3)o2)cnn1C ZINC000006527777 571207236 /nfs/dbraw/zinc/20/72/36/571207236.db2.gz ZKRUSRFASVHCHK-BQYQJAHWSA-N 0 0 350.418 4.413 50 30 FIEARN C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2C[C@@H]1CCCCO1 ZINC000035927829 571210052 /nfs/dbraw/zinc/21/00/52/571210052.db2.gz PQMHVILBCVDIRV-SJORKVTESA-N 0 0 370.493 4.304 50 30 FIEARN Cc1cc(NC(=O)[C@@H](SCc2cccc(C#N)c2)c2ccccc2)no1 ZINC000009882917 571269738 /nfs/dbraw/zinc/26/97/38/571269738.db2.gz KHGZCVJFQLSBTA-IBGZPJMESA-N 0 0 363.442 4.468 50 30 FIEARN N#Cc1cc(N)c(N)c(F)c1Nc1ccc(Br)cc1Cl ZINC000090563077 571281776 /nfs/dbraw/zinc/28/17/76/571281776.db2.gz WFPMKNHJFQLMKE-UHFFFAOYSA-N 0 0 355.598 4.021 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1 ZINC000002198074 571283710 /nfs/dbraw/zinc/28/37/10/571283710.db2.gz AUJXMNWHWIFADL-APWZRJJASA-N 0 0 356.443 4.076 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000002205017 571284374 /nfs/dbraw/zinc/28/43/74/571284374.db2.gz CTEUILIVXVVQJX-PZJWPPBQSA-N 0 0 350.414 4.015 50 30 FIEARN COC(=O)c1ccc(N=C2S/C(=C/c3ccccc3C)C(=O)N2C)cc1 ZINC000252604886 571284714 /nfs/dbraw/zinc/28/47/14/571284714.db2.gz GEVXUVVYIWXROW-DBOKLQOQSA-N 0 0 366.442 4.015 50 30 FIEARN C=CCOc1ccccc1/C=C1/SC(=Nc2ccccc2)N(C)C1=O ZINC000252614612 571285937 /nfs/dbraw/zinc/28/59/37/571285937.db2.gz JKTWZJZVVQNQRD-HLEBVGASSA-N 0 0 350.443 4.485 50 30 FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1cccc(F)c1 ZINC000002213392 571288474 /nfs/dbraw/zinc/28/84/74/571288474.db2.gz HALKDVHNXKKKGP-UNOMPAQXSA-N 0 0 353.393 4.133 50 30 biogenic FIEARN Cc1cccc2c(C)cc(N3CCN(Cc4ccc(C#N)cc4)CC3)nc12 ZINC000007779152 571288626 /nfs/dbraw/zinc/28/86/26/571288626.db2.gz HVBLVUDAXAAETR-UHFFFAOYSA-N 0 0 356.473 4.046 50 30 FIEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CC)C2=O)ccc1O ZINC000252625698 571288886 /nfs/dbraw/zinc/28/88/86/571288886.db2.gz QPIWBRXOUHNIFE-ORZNGPHRSA-N 0 0 368.458 4.415 50 30 FIEARN CCCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002247067 571293732 /nfs/dbraw/zinc/29/37/32/571293732.db2.gz KGWCUXYHMVFKSA-UHFFFAOYSA-N 0 0 365.502 4.304 50 30 FIEARN Cc1c(NCC2(c3cccc(F)c3)CCOCC2)cc(C#N)cc1[N+](=O)[O-] ZINC000054981764 571317773 /nfs/dbraw/zinc/31/77/73/571317773.db2.gz ZRZCRCMHJYQSAM-UHFFFAOYSA-N 0 0 369.396 4.074 50 30 FIEARN COc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000002320208 571317960 /nfs/dbraw/zinc/31/79/60/571317960.db2.gz PEYWVCOTQONKDP-QGMBQPNBSA-N 0 0 370.261 4.028 50 30 FIEARN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc(C)c1Cl ZINC000000672943 571319125 /nfs/dbraw/zinc/31/91/25/571319125.db2.gz XJISMYLGAVQYSX-UHFFFAOYSA-N 0 0 360.866 4.396 50 30 FIEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000077300880 571321023 /nfs/dbraw/zinc/32/10/23/571321023.db2.gz LLNJDPNPZQDIQM-SFHVURJKSA-N 0 0 374.419 4.107 50 30 FIEARN N#Cc1cccc(CN2CCN(c3nc(-c4ccccc4)cs3)CC2)c1 ZINC000065405396 571321132 /nfs/dbraw/zinc/32/11/32/571321132.db2.gz KQSHKLSDAHUCAU-UHFFFAOYSA-N 0 0 360.486 4.004 50 30 FIEARN COc1cccc(/C=N/n2c3cc(C)c(C)cc3n(C)c2=S)c1OC ZINC000002396941 571321309 /nfs/dbraw/zinc/32/13/09/571321309.db2.gz TWCWIYMRHQSTDM-RGVLZGJSSA-N 0 0 355.463 4.226 50 30 FIEARN Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)cc2Cl)NC1=O ZINC000002422553 571321864 /nfs/dbraw/zinc/32/18/64/571321864.db2.gz YFTYTABLAHGXML-MDWZMJQESA-N 0 0 352.246 4.224 50 30 FIEARN Cc1noc(C)c1CN(C)C(=O)c1cccc(-c2nc(C)cc(C)c2C#N)c1 ZINC000426445433 571322120 /nfs/dbraw/zinc/32/21/20/571322120.db2.gz CPVRCZSUHCUOPF-UHFFFAOYSA-N 0 0 374.444 4.114 50 30 FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1c(F)cccc1Cl ZINC000002432292 571322272 /nfs/dbraw/zinc/32/22/72/571322272.db2.gz GNCSVWTXVPUYGA-ZDLGFXPLSA-N 0 0 373.811 4.397 50 30 FIEARN N#Cc1ccsc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 ZINC000012631632 571322564 /nfs/dbraw/zinc/32/25/64/571322564.db2.gz HMYVWCCWJPKWJZ-UHFFFAOYSA-N 0 0 357.382 4.154 50 30 FIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O ZINC000012662952 571322586 /nfs/dbraw/zinc/32/25/86/571322586.db2.gz ARHQQKZBZHCVPH-JMIUGGIZSA-N 0 0 352.386 4.275 50 30 biogenic FIEARN N#Cc1c(N)nc2c(c1N)[C@@H](SCc1ccccc1)c1ccccc1O2 ZINC000020094818 571323047 /nfs/dbraw/zinc/32/30/47/571323047.db2.gz JLUDBKWKUVCBHN-SFHVURJKSA-N 0 0 360.442 4.246 50 30 FIEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CCCCC1 ZINC000013350405 571323176 /nfs/dbraw/zinc/32/31/76/571323176.db2.gz XNIGJRVQXQJXBX-UHFFFAOYSA-N 0 0 362.473 4.443 50 30 FIEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020464440 571329651 /nfs/dbraw/zinc/32/96/51/571329651.db2.gz WVEOCPIMTQZSGS-QWQRMKEZSA-N 0 0 363.465 4.446 50 30 FIEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCC2)C1=O ZINC000020624486 571331538 /nfs/dbraw/zinc/33/15/38/571331538.db2.gz MDBRMWNNSHKTDY-MOSHPQCFSA-N 0 0 365.429 4.003 50 30 FIEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020646540 571331568 /nfs/dbraw/zinc/33/15/68/571331568.db2.gz CSOVDQJMPXMQHJ-APSNUPSMSA-N 0 0 364.228 4.377 50 30 FIEARN Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1C ZINC000095953393 571332786 /nfs/dbraw/zinc/33/27/86/571332786.db2.gz LGSARCSRHWNGPG-LLVKDONJSA-N 0 0 361.492 4.417 50 30 FIEARN CCn1ccnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000095953388 571332815 /nfs/dbraw/zinc/33/28/15/571332815.db2.gz ICWKNWRHAGXNIN-ZDUSSCGKSA-N 0 0 360.508 4.028 50 30 FIEARN CNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722370 571335865 /nfs/dbraw/zinc/33/58/65/571335865.db2.gz BMVQZHKYACECAZ-SFHVURJKSA-N 0 0 353.447 4.068 50 30 FIEARN Cn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)c2ccccc21 ZINC000028182424 571338293 /nfs/dbraw/zinc/33/82/93/571338293.db2.gz IAQUVVVSBLVTIS-MTJSOVHGSA-N 0 0 374.440 4.096 50 30 FIEARN N#Cc1cnn(Cc2ccccc2)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000002659987 571340278 /nfs/dbraw/zinc/34/02/78/571340278.db2.gz AQRNFFLNVUTLTD-UHFFFAOYSA-N 0 0 370.334 4.074 50 30 FIEARN CCOc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)cc1 ZINC000002746767 571340710 /nfs/dbraw/zinc/34/07/10/571340710.db2.gz AIOOUWQPSOLOEC-UHFFFAOYSA-N 0 0 372.446 4.144 50 30 FIEARN CCc1c(C)sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c1C#N ZINC000002747974 571340767 /nfs/dbraw/zinc/34/07/67/571340767.db2.gz FYALOFBTLMVNNL-UHFFFAOYSA-N 0 0 372.343 4.065 50 30 FIEARN C=C(C)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230162570 571344531 /nfs/dbraw/zinc/34/45/31/571344531.db2.gz FGTGEPIDYOHVJH-VMRPVKRXSA-N 0 0 369.417 4.402 50 30 FIEARN Cc1cccc(C)c1OCc1nnc(SCC#N)n1-c1ccccc1 ZINC000003381539 571348740 /nfs/dbraw/zinc/34/87/40/571348740.db2.gz YXZXRFKOHAZVAZ-UHFFFAOYSA-N 0 0 350.447 4.079 50 30 FIEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2ccsc2)n1 ZINC000058156911 571348858 /nfs/dbraw/zinc/34/88/58/571348858.db2.gz NZBWXFCOEZRVSM-UHFFFAOYSA-N 0 0 356.447 4.286 50 30 FIEARN O=C1c2ccccc2C(=O)C1(c1nc2c(ccc3ccccc23)s1)[N+](=O)[O-] ZINC000004015211 571354012 /nfs/dbraw/zinc/35/40/12/571354012.db2.gz YHNCGSAZKXWOOM-UHFFFAOYSA-N 0 0 374.377 4.001 50 30 FIEARN N#CC(=NNc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000004175444 571356439 /nfs/dbraw/zinc/35/64/39/571356439.db2.gz NQMAMGUCTCDHCU-PXLXIMEGSA-N 0 0 367.365 4.197 50 30 FIEARN N#Cc1c(Nc2ccccc2)ccnc1N1CCN(c2ccccc2)CC1 ZINC000022147083 1081409605 /nfs/dbraw/zinc/40/96/05/1081409605.db2.gz AIGJWAFRZFXKGT-UHFFFAOYSA-N 0 0 355.445 4.023 50 30 FIEARN C[C@@H]1CCc2sc(NC(=O)[C@H]3CCC(=O)c4cccn43)c(C#N)c2[C@H]1C ZINC000333915805 1085192683 /nfs/dbraw/zinc/19/26/83/1085192683.db2.gz ZHSANKJETJMIRM-TYNCELHUSA-N 0 0 367.474 4.263 50 30 FIEARN CC1(C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)c2ccccc2O1 ZINC000334109533 1085222501 /nfs/dbraw/zinc/22/25/01/1085222501.db2.gz AMTXWYQISJXDBU-HOJAQTOUSA-N 0 0 360.457 4.097 50 30 FIEARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000014094642 1090255632 /nfs/dbraw/zinc/25/56/32/1090255632.db2.gz NDJIDSNSEMIZQS-RMKNXTFCSA-N 0 0 373.334 4.187 50 30 FIEARN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cccc3c1OCCCO3)O2 ZINC000330015777 1091137122 /nfs/dbraw/zinc/13/71/22/1091137122.db2.gz ONRHOYKESYLMQW-LJQANCHMSA-N 0 0 353.418 4.007 50 30 FIEARN Cc1ccc(NC(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)s1 ZINC000330057161 1091145323 /nfs/dbraw/zinc/14/53/23/1091145323.db2.gz XABKRDWNDIPVLH-AWEZNQCLSA-N 0 0 364.471 4.057 50 30 FIEARN CC(C)(C)c1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C#N)s1 ZINC000598825485 1106881406 /nfs/dbraw/zinc/88/14/06/1106881406.db2.gz JMIHMXVHXZGPND-LBPRGKRZSA-N 0 0 370.400 4.246 50 30 FIEARN COc1ccc(CN=Nc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1 ZINC000254513156 1114175050 /nfs/dbraw/zinc/17/50/50/1114175050.db2.gz DHSYFJCCVJAIQZ-UHFFFAOYSA-N 0 0 368.462 4.412 50 30 FIEARN C=CCN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(C#N)cc1 ZINC000254704170 1114418876 /nfs/dbraw/zinc/41/88/76/1114418876.db2.gz JVKGIUWKJCARCQ-UHFFFAOYSA-N 0 0 362.433 4.196 50 30 FIEARN Cc1ccc(CN2CCN(N=Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000254851693 1114486253 /nfs/dbraw/zinc/48/62/53/1114486253.db2.gz NUQJUDXIJOFSQB-UHFFFAOYSA-N 0 0 359.473 4.006 50 30 FIEARN C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000594247988 1116123400 /nfs/dbraw/zinc/12/34/00/1116123400.db2.gz IUECPMYGAFLCSG-FZKQIMNGSA-N 0 0 361.436 4.449 50 30 FIEARN C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(-n2ccnc2)c(F)c1 ZINC000101276673 1118634713 /nfs/dbraw/zinc/63/47/13/1118634713.db2.gz XFXXHYAYKNFQRA-KAQJVSAMSA-N 0 0 352.340 4.240 50 30 FIEARN COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Br)c1O ZINC000033377933 1122410162 /nfs/dbraw/zinc/41/01/62/1122410162.db2.gz ZNUXMBNCTGPPFC-JYRVWZFOSA-N 0 0 359.219 4.376 50 30 FIEARN COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OC(F)F ZINC000033469720 1122546700 /nfs/dbraw/zinc/54/67/00/1122546700.db2.gz USZZVSPFTHKHFV-WAPJZHGLSA-N 0 0 359.328 4.095 50 30 FIEARN Cc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)c(C)c1 ZINC000097474837 209891151 /nfs/dbraw/zinc/89/11/51/209891151.db2.gz OSLAXSMSYSMHLM-ALCCZGGFSA-N 0 0 359.219 4.028 50 30 FIEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000707646 219315626 /nfs/dbraw/zinc/31/56/26/219315626.db2.gz MJUXUXSRSWURDI-NRFANRHFSA-N 0 0 363.457 4.337 50 30 FIEARN O=S(=O)(N/N=C/c1c2ccccc2cc2ccccc21)c1ccccc1 ZINC000001054432 219359295 /nfs/dbraw/zinc/35/92/95/219359295.db2.gz CPLASMWDQKSDRL-PXLXIMEGSA-N 0 0 360.438 4.305 50 30 FIEARN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N ZINC000001043853 219357932 /nfs/dbraw/zinc/35/79/32/219357932.db2.gz IVGTVZGLPHBTJV-UHFFFAOYSA-N 0 0 367.183 4.374 50 30 FIEARN CCC(=O)N=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(C)cc(C)n1 ZINC000001068248 219362970 /nfs/dbraw/zinc/36/29/70/219362970.db2.gz QRDKJCWKQDNMDE-UHFFFAOYSA-N 0 0 366.252 4.217 50 30 FIEARN CC(C)OC(=O)CSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 ZINC000001087740 219367204 /nfs/dbraw/zinc/36/72/04/219367204.db2.gz BYJMITRGJOUKAS-AWEZNQCLSA-N 0 0 356.491 4.309 50 30 FIEARN N#Cc1cc2c(nc1SC[C@]1(O)CCCc3ccccc31)CCCC2 ZINC000001119130 219373247 /nfs/dbraw/zinc/37/32/47/219373247.db2.gz 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Cc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005246709 209437688 /nfs/dbraw/zinc/43/76/88/209437688.db2.gz QRYDFAFKCAXGGZ-LAUBAEHRSA-N 0 0 356.429 4.002 50 30 FIEARN N#Cc1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000004348382 209420607 /nfs/dbraw/zinc/42/06/07/209420607.db2.gz IUNUDSWTXCGUIV-UHFFFAOYSA-N 0 0 358.220 4.183 50 30 FIEARN O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 ZINC000001211385 209385514 /nfs/dbraw/zinc/38/55/14/209385514.db2.gz VFZRDMUFNQTSBQ-PXAZEXFGSA-N 0 0 371.443 4.296 50 30 FIEARN C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000002678010 209397778 /nfs/dbraw/zinc/39/77/78/209397778.db2.gz UKEQJOZPNQEQTM-LFIBNONCSA-N 0 0 357.456 4.246 50 30 FIEARN N#Cc1c(N)n(Cc2ccccc2C(F)(F)F)c2nc3ccccc3nc12 ZINC000002337123 209395310 /nfs/dbraw/zinc/39/53/10/209395310.db2.gz UTJXRBARYPLXFF-UHFFFAOYSA-N 0 0 367.334 4.105 50 30 FIEARN Cc1cc(C#N)ccc1N(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC000150725122 209387712 /nfs/dbraw/zinc/38/77/12/209387712.db2.gz 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FIEARN COc1ccc(C(=O)/C=C\c2cc(Br)cs2)c(OC)c1 ZINC000096766210 209158186 /nfs/dbraw/zinc/15/81/86/209158186.db2.gz NJPKXIPNUVGHHS-XQRVVYSFSA-N 0 0 353.237 4.424 50 30 FIEARN CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC ZINC000096766837 209157480 /nfs/dbraw/zinc/15/74/80/209157480.db2.gz ALWAFWPTEOAGST-XQRVVYSFSA-N 0 0 360.793 4.372 50 30 FIEARN CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F ZINC000096766839 209157599 /nfs/dbraw/zinc/15/75/99/209157599.db2.gz TWJONKBXAPKHPC-UTCJRWHESA-N 0 0 362.328 4.312 50 30 FIEARN CCN(C(C)=O)c1nc(/C=C2/CCSc3ccccc3C2=O)cs1 ZINC000096310738 209150168 /nfs/dbraw/zinc/15/01/68/209150168.db2.gz CKILCKULTBTSEF-RAXLEYEMSA-N 0 0 358.488 4.278 50 30 FIEARN C=C(C)CNC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013634435 220080702 /nfs/dbraw/zinc/08/07/02/220080702.db2.gz QLBXNHXWMVSJHG-UHFFFAOYSA-N 0 0 365.546 4.256 50 30 FIEARN CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000016034220 220175860 /nfs/dbraw/zinc/17/58/60/220175860.db2.gz BOSYLVLSCRTKPW-PWRODBHTSA-N 0 0 373.843 4.456 50 30 FIEARN C=C(C)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1 ZINC000047170258 206674114 /nfs/dbraw/zinc/67/41/14/206674114.db2.gz YRCMTHUVLXGRFT-UHFFFAOYSA-N 0 0 357.504 4.186 50 30 FIEARN CCn1c(SCC#Cc2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000075094304 206679981 /nfs/dbraw/zinc/67/99/81/206679981.db2.gz VXXOQTOGZNGDAE-UHFFFAOYSA-N 0 0 354.866 4.157 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2ccccc2)cn1 ZINC000065435197 206701347 /nfs/dbraw/zinc/70/13/47/206701347.db2.gz ZTACFWSVSLFONS-NRFANRHFSA-N 0 0 370.456 4.333 50 30 FIEARN C=CCn1c(=S)sc2c1ncnc2Sc1nc2ccccc2[nH]1 ZINC000004333658 206706938 /nfs/dbraw/zinc/70/69/38/206706938.db2.gz UIWWHXCVVIGSKK-UHFFFAOYSA-N 0 0 357.489 4.436 50 30 FIEARN C=CCOc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000004868686 206707030 /nfs/dbraw/zinc/70/70/30/206707030.db2.gz XHRDEGCWGPMADX-UHFFFAOYSA-N 0 0 350.187 4.405 50 30 FIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000004684718 206707696 /nfs/dbraw/zinc/70/76/96/206707696.db2.gz RLDQEOGEESWXRN-IBGZPJMESA-N 0 0 363.392 4.194 50 30 FIEARN C=CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@H](C)CC4 ZINC000001837459 206740986 /nfs/dbraw/zinc/74/09/86/206740986.db2.gz DLRVCGJAZYQCDZ-SECBINFHSA-N 0 0 362.549 4.464 50 30 FIEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=S ZINC000001201678 206741403 /nfs/dbraw/zinc/74/14/03/206741403.db2.gz OLCXNWYOHRRZLO-SFQUDFHCSA-N 0 0 354.500 4.481 50 30 FIEARN Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cnc(N2CCCC2)nc1 ZINC000096401767 206807382 /nfs/dbraw/zinc/80/73/82/206807382.db2.gz CYYCDFMFWVOTBY-FPLPWBNLSA-N 0 0 356.495 4.035 50 30 FIEARN CCOc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001253508 206872899 /nfs/dbraw/zinc/87/28/99/206872899.db2.gz FZZHFFZDZXZRKW-YBFXNURJSA-N 0 0 358.854 4.168 50 30 FIEARN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Cl)cc1)CCCC3 ZINC000002831453 206938754 /nfs/dbraw/zinc/93/87/54/206938754.db2.gz XWTOIEUPFZZEAQ-KEBDBYFISA-N 0 0 357.866 4.181 50 30 FIEARN COc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003117653 206957884 /nfs/dbraw/zinc/95/78/84/206957884.db2.gz HEYMAWOJWMPZLF-UHFFFAOYSA-N 0 0 362.385 4.461 50 30 FIEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003403997 206975981 /nfs/dbraw/zinc/97/59/81/206975981.db2.gz VHTAIUMIGFCYKQ-UHFFFAOYSA-N 0 0 374.396 4.377 50 30 FIEARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000003421372 206976873 /nfs/dbraw/zinc/97/68/73/206976873.db2.gz OWVAIJXLTLDLTI-INIZCTEOSA-N 0 0 369.424 4.302 50 30 FIEARN O=[N+]([O-])c1ccc(N=NC=CC2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 ZINC000004114472 207001648 /nfs/dbraw/zinc/00/16/48/207001648.db2.gz NOJIEJNZHQRWMO-VLGOTYMCSA-N 0 0 356.382 4.283 50 30 FIEARN O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1cccc2ccccc21 ZINC000004159519 207005418 /nfs/dbraw/zinc/00/54/18/207005418.db2.gz YDSJYRGHGMNYHW-VZMFNRANSA-N 0 0 359.454 4.004 50 30 FIEARN O=C1c2ccccc2C(=O)C(N2CCC(Cc3ccccc3)CC2)=C1Cl ZINC000004675128 207036406 /nfs/dbraw/zinc/03/64/06/207036406.db2.gz APVARSCSKNWQCC-UHFFFAOYSA-N 0 0 365.860 4.471 50 30 FIEARN COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccccc1C)CC(C)(C)O2 ZINC000004669213 207037210 /nfs/dbraw/zinc/03/72/10/207037210.db2.gz WQVNZYINQCTSHZ-OQKWZONESA-N 0 0 369.490 4.255 50 30 FIEARN COc1ccc(OC)c(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1 ZINC000004679903 207038304 /nfs/dbraw/zinc/03/83/04/207038304.db2.gz WFOOYCVYIJHEAV-LLPDMMGZSA-N 0 0 368.458 4.246 50 30 FIEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(F)c1 ZINC000004741547 207044886 /nfs/dbraw/zinc/04/48/86/207044886.db2.gz IUJWLDIJGPCRQQ-UHFFFAOYSA-N 0 0 356.360 4.493 50 30 FIEARN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2 ZINC000004716111 207041597 /nfs/dbraw/zinc/04/15/97/207041597.db2.gz MSSADKTUEXXPDD-HNNXBMFYSA-N 0 0 374.897 4.312 50 30 FIEARN N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000004805502 207049809 /nfs/dbraw/zinc/04/98/09/207049809.db2.gz LSCLWBKRYORBSA-GOSISDBHSA-N 0 0 373.416 4.367 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC000004918481 207062943 /nfs/dbraw/zinc/06/29/43/207062943.db2.gz HFUFUUQCFHQVCX-ICSRJNTNSA-N 0 0 356.368 4.284 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccccc1 ZINC000004919045 207063201 /nfs/dbraw/zinc/06/32/01/207063201.db2.gz RBVOOERNTLYBRI-FPOVZHCZSA-N 0 0 350.414 4.015 50 30 FIEARN O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914639 207061348 /nfs/dbraw/zinc/06/13/48/207061348.db2.gz LXYMGKZOHDWRAO-CJNGLKHVSA-N 0 0 369.823 4.483 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC000004918476 207062267 /nfs/dbraw/zinc/06/22/67/207062267.db2.gz HFUFUUQCFHQVCX-AZUAARDMSA-N 0 0 356.368 4.284 50 30 FIEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000005023364 207071892 /nfs/dbraw/zinc/07/18/92/207071892.db2.gz YDNJYYRXIHTVNN-QJOMJCCJSA-N 0 0 364.430 4.167 50 30 FIEARN CC[C@@H]1Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/OC)C1 ZINC000005197109 207085540 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N#Cc1ccc(COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 ZINC000005984404 207125043 /nfs/dbraw/zinc/12/50/43/207125043.db2.gz BXFCRNULRNVJAX-UHFFFAOYSA-N 0 0 373.408 4.259 50 30 FIEARN Cc1sc2ncnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)c2c1C ZINC000006113396 207129561 /nfs/dbraw/zinc/12/95/61/207129561.db2.gz RFQCGESLMIGMNA-ZDUSSCGKSA-N 0 0 374.535 4.131 50 30 FIEARN C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000006129724 207131071 /nfs/dbraw/zinc/13/10/71/207131071.db2.gz YQZCRTKHBZHVCY-RVYXMPNASA-N 0 0 357.866 4.194 50 30 FIEARN N#Cc1ccc(COC(=O)CCCNc2nc3ccccc3s2)cc1 ZINC000006586136 207147668 /nfs/dbraw/zinc/14/76/68/207147668.db2.gz HOPFPZRJPJCRFA-UHFFFAOYSA-N 0 0 351.431 4.103 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000006617206 207149111 /nfs/dbraw/zinc/14/91/11/207149111.db2.gz FAUBTTDYZOADGM-HXUWFJFHSA-N 0 0 362.429 4.476 50 30 FIEARN CCOc1ccc(OCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000006600179 207149457 /nfs/dbraw/zinc/14/94/57/207149457.db2.gz 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ZINC000007039556 207184368 /nfs/dbraw/zinc/18/43/68/207184368.db2.gz ZNYGSSSUVLLLIN-FMIVXFBMSA-N 0 0 372.424 4.407 50 30 FIEARN Cc1sc2nc(SC[C@H](C#N)CCC#N)n(C(C)C)c(=O)c2c1C ZINC000007204480 207191077 /nfs/dbraw/zinc/19/10/77/207191077.db2.gz NWTMXQRQMJUVEF-ZDUSSCGKSA-N 0 0 360.508 4.191 50 30 FIEARN COc1cc(C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 ZINC000007265547 207191831 /nfs/dbraw/zinc/19/18/31/207191831.db2.gz DCZRUGZQRWQTPH-UHFFFAOYSA-N 0 0 358.397 4.398 50 30 FIEARN N#Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000007947594 207213024 /nfs/dbraw/zinc/21/30/24/207213024.db2.gz OPAHUBTUGBLMFP-GOSISDBHSA-N 0 0 350.468 4.469 50 30 FIEARN N#Cc1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCCC2 ZINC000008320738 207228324 /nfs/dbraw/zinc/22/83/24/207228324.db2.gz DQZNAOLIAAGNLE-OAHLLOKOSA-N 0 0 371.531 4.336 50 30 FIEARN COc1ccc(C(C)N=Nc2nnc(Cl)c3ccccc23)cc1OC ZINC000008572700 207236954 /nfs/dbraw/zinc/23/69/54/207236954.db2.gz HNKLYPHNXHTZCR-RGVLZGJSSA-N 0 0 356.813 4.137 50 30 FIEARN Cc1nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 ZINC000008725454 207245507 /nfs/dbraw/zinc/24/55/07/207245507.db2.gz GSZDAFODNNBAPU-UHFFFAOYSA-N 0 0 352.397 4.458 50 30 FIEARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000010054556 207293657 /nfs/dbraw/zinc/29/36/57/207293657.db2.gz KTLPICITKKCZBG-ZDUSSCGKSA-N 0 0 350.447 4.047 50 30 FIEARN CCOc1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000011173257 207311623 /nfs/dbraw/zinc/31/16/23/207311623.db2.gz VLMNLOBZSUTTCC-CQSZACIVSA-N 0 0 363.417 4.140 50 30 FIEARN Cc1nnc(Sc2nc3c(cc(Cl)cc3Cl)[nH]2)c(C#N)c1C ZINC000012520202 207384665 /nfs/dbraw/zinc/38/46/65/207384665.db2.gz JLKBMSGHDRUFQK-UHFFFAOYSA-N 0 0 350.234 4.299 50 30 FIEARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1sccc1C#N ZINC000012531048 207387341 /nfs/dbraw/zinc/38/73/41/207387341.db2.gz CTCYAEDIVZFWSQ-QMMMGPOBSA-N 0 0 362.867 4.269 50 30 FIEARN N#Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012788130 207421904 /nfs/dbraw/zinc/42/19/04/207421904.db2.gz 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208099010 /nfs/dbraw/zinc/09/90/10/208099010.db2.gz HUZYBKGICRJLCF-QGOAFFKASA-N 0 0 355.397 4.390 50 30 FIEARN CCN(Cc1ccc(C#N)cc1F)Cn1c2ccccc2n(C)c1=S ZINC000032935410 208060195 /nfs/dbraw/zinc/06/01/95/208060195.db2.gz YUOXEMFSGZXRFL-UHFFFAOYSA-N 0 0 354.454 4.200 50 30 FIEARN COC(=O)c1cccc(N)c1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000034617168 208105444 /nfs/dbraw/zinc/10/54/44/208105444.db2.gz LERUETMARSWZRK-UHFFFAOYSA-N 0 0 357.413 4.206 50 30 FIEARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC#N)cc1 ZINC000035225934 208118971 /nfs/dbraw/zinc/11/89/71/208118971.db2.gz CFPTUVBXHRPQDR-PEZBUJJGSA-N 0 0 370.408 4.411 50 30 FIEARN C=CCN1C(=O)N[C@@H](c2ccccc2)C(c2nc(-c3ccccc3)no2)=C1C ZINC000070635554 208175075 /nfs/dbraw/zinc/17/50/75/208175075.db2.gz ORTFLQHBEKVAGR-IBGZPJMESA-N 0 0 372.428 4.420 50 30 FIEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccccc1)=C2 ZINC000040310075 208176225 /nfs/dbraw/zinc/17/62/25/208176225.db2.gz HWGICGNFWDFGDS-UHFFFAOYSA-N 0 0 351.446 4.194 50 30 biogenic FIEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O ZINC000040382570 208249646 /nfs/dbraw/zinc/24/96/46/208249646.db2.gz DJGSBWHBQCNESO-AWEZNQCLSA-N 0 0 373.437 4.069 50 30 FIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)COc2ccccc2)c1C#N ZINC000044928680 208322350 /nfs/dbraw/zinc/32/23/50/208322350.db2.gz XJNSCKRIYLCNLT-UHFFFAOYSA-N 0 0 359.429 4.042 50 30 FIEARN CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000096004296 209094727 /nfs/dbraw/zinc/09/47/27/209094727.db2.gz CQNNZBMWIGPGKQ-HZPDHXFCSA-N 0 0 352.475 4.450 50 30 FIEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 ZINC000001444123 132382052 /nfs/dbraw/zinc/38/20/52/132382052.db2.gz DTWBPAOBNAWQTN-QGZVFWFLSA-N 0 0 362.385 4.122 50 30 FIEARN COc1ccc([C@@H](C#N)c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000002209794 132382747 /nfs/dbraw/zinc/38/27/47/132382747.db2.gz QFJLOZMNSCKLBW-GOSISDBHSA-N 0 0 358.445 4.284 50 30 FIEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3cccc(C)c3C)ccc21 ZINC000003036774 132384622 /nfs/dbraw/zinc/38/46/22/132384622.db2.gz BZAJPXJJMDNDOK-HYARGMPZSA-N 0 0 366.534 4.396 50 30 FIEARN CC1CCN(c2ccc(C(=O)Nc3sccc3C#N)cc2[N+](=O)[O-])CC1 ZINC000014626714 132874793 /nfs/dbraw/zinc/87/47/93/132874793.db2.gz DNBXZKSKLGVUEG-UHFFFAOYSA-N 0 0 370.434 4.017 50 30 FIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000064473704 136133118 /nfs/dbraw/zinc/13/31/18/136133118.db2.gz UOTGAGYHBHGNEM-UHFFFAOYSA-N 0 0 374.419 4.101 50 30 FIEARN N#Cc1c(F)cccc1N1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000071890483 136141400 /nfs/dbraw/zinc/14/14/00/136141400.db2.gz QCWZHMSBZHJVRG-FQEVSTJZSA-N 0 0 369.484 4.095 50 30 FIEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=N)NOC(=O)C(C)(C)C ZINC000095629534 209085540 /nfs/dbraw/zinc/08/55/40/209085540.db2.gz FYJMPRCYFCWMCU-UHFFFAOYSA-N 0 0 370.236 4.166 50 30 FIEARN O=C(c1ccccc1Cl)N1C(=O)CS/C1=N\c1ccc(Cl)cc1 ZINC000095629537 209085653 /nfs/dbraw/zinc/08/56/53/209085653.db2.gz VHYDNGCMCFANHT-MNDPQUGUSA-N 0 0 365.241 4.397 50 30 FIEARN N#CCCN(C(=O)CSc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000002623739 263145456 /nfs/dbraw/zinc/14/54/56/263145456.db2.gz ZMUOECJWDSSFND-UHFFFAOYSA-N 0 0 371.462 4.474 50 30 FIEARN COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC#N ZINC000003351669 263328844 /nfs/dbraw/zinc/32/88/44/263328844.db2.gz NFAZEYHKGMLYAZ-UHFFFAOYSA-N 0 0 372.424 4.117 50 30 FIEARN CCOc1ccccc1-n1c(SCCCC#N)nnc1-c1cccnc1 ZINC000003504314 263329939 /nfs/dbraw/zinc/32/99/39/263329939.db2.gz JDIJABRTBUKFHS-UHFFFAOYSA-N 0 0 365.462 4.124 50 30 FIEARN N=C(/N=c1/sc2ccccc2n1CCS)SCc1ccccc1 ZINC000005344942 263340294 /nfs/dbraw/zinc/34/02/94/263340294.db2.gz SVRPIQXZYBFJLT-DKEWFCAXSA-N 0 0 359.545 4.401 50 30 FIEARN C=CCNc1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)s1 ZINC000009155404 263359938 /nfs/dbraw/zinc/35/99/38/263359938.db2.gz CXSAHBHCWNCBBF-NSHDSACASA-N 0 0 359.480 4.348 50 30 FIEARN Cc1ccc(C=Cc2nc(S[C@@H](C#N)Cc3ccc(C)cc3)n[nH]2)o1 ZINC000031802473 263392452 /nfs/dbraw/zinc/39/24/52/263392452.db2.gz ABFZZZCOMFRWQU-OAGJVSPASA-N 0 0 350.447 4.412 50 30 FIEARN CC(=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1O ZINC000328596545 518423924 /nfs/dbraw/zinc/42/39/24/518423924.db2.gz BNEOLOIQIPKPON-UHFFFAOYSA-N 0 0 352.159 4.133 50 30 FIEARN C=C(C)COc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000009865756 518613205 /nfs/dbraw/zinc/61/32/05/518613205.db2.gz GCGGMYXBCRWEJR-NRFANRHFSA-N 0 0 367.445 4.452 50 30 FIEARN C=C(C)CSc1nnc(S[C@@H](C)C(=O)N2CCCCCC2)s1 ZINC000032774449 518626831 /nfs/dbraw/zinc/62/68/31/518626831.db2.gz QEKAILOZHTYQIM-LBPRGKRZSA-N 0 0 357.570 4.090 50 30 FIEARN C=CCNc1nc(C(=O)OCc2csc(-c3ccccc3)n2)cs1 ZINC000006904956 518963099 /nfs/dbraw/zinc/96/30/99/518963099.db2.gz XLBIKKADRNRQAH-UHFFFAOYSA-N 0 0 357.460 4.222 50 30 FIEARN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000008037665 519031523 /nfs/dbraw/zinc/03/15/23/519031523.db2.gz OMOPOUCEUOHRDG-UHFFFAOYSA-N 0 0 362.832 4.114 50 30 FIEARN C=CCn1c(C)cc(C(=O)CSc2nc(C)c(C(C)=O)cc2C#N)c1C ZINC000025252301 519170347 /nfs/dbraw/zinc/17/03/47/519170347.db2.gz 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N#CCCn1cc(C(=O)Oc2ccccc2)c(-c2cccc(Cl)c2)n1 ZINC000003356869 526467996 /nfs/dbraw/zinc/46/79/96/526467996.db2.gz BOQHKLPJGRBAJB-UHFFFAOYSA-N 0 0 351.793 4.336 50 30 FIEARN O=C1c2ccc(O)cc2O/C1=C\c1ccc(OC(F)F)cc1OC(F)F ZINC000096920988 527123135 /nfs/dbraw/zinc/12/31/35/527123135.db2.gz HTKYMYGHQXQJCG-RZNTYIFUSA-N 0 0 370.254 4.211 50 30 FIEARN O=C(/C=C\c1ccccc1)C(C(=O)NCc1ccccc1)=C1SCS1 ZINC000033502783 527657791 /nfs/dbraw/zinc/65/77/91/527657791.db2.gz JLHOMXQYQLICHH-QXMHVHEDSA-N 0 0 367.495 4.234 50 30 FIEARN CCCCn1ccnc1[C@@H]1CCCN(c2nc(C(C)C)ccc2C#N)C1 ZINC000095383942 535153257 /nfs/dbraw/zinc/15/32/57/535153257.db2.gz JBJYSVXAVXAEHV-GOSISDBHSA-N 0 0 351.498 4.457 50 30 FIEARN N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccccc3)s2)cc1 ZINC000024841055 568142788 /nfs/dbraw/zinc/14/27/88/568142788.db2.gz GKWFQZCODNRVIG-UHFFFAOYSA-N 0 0 363.442 4.013 50 30 FIEARN C=CCn1c(SCc2c(C)noc2C)nc2sc(C)c(C)c2c1=O ZINC000002861518 568380762 /nfs/dbraw/zinc/38/07/62/568380762.db2.gz DNFRNNNXKMINGF-UHFFFAOYSA-N 0 0 361.492 4.158 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000002882527 568450329 /nfs/dbraw/zinc/45/03/29/568450329.db2.gz YREKFZRIGLNMSO-KRWDZBQOSA-N 0 0 364.430 4.025 50 30 FIEARN CCCN(CC)c1ccc(/C=N\NC(=S)Nc2cccc(F)c2)cc1 ZINC000033096958 568451148 /nfs/dbraw/zinc/45/11/48/568451148.db2.gz IWSLOIKPFNHMEE-STZFKDTASA-N 0 0 358.486 4.383 50 30 FIEARN CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F ZINC000000626179 570440051 /nfs/dbraw/zinc/44/00/51/570440051.db2.gz VGGUFFLOPBGDJY-GOSISDBHSA-N 0 0 367.420 4.337 50 30 FIEARN CC(=O)Nc1ccc(/C=N/c2ccccc2C(=O)Nc2nccs2)cc1 ZINC000000649673 570444257 /nfs/dbraw/zinc/44/42/57/570444257.db2.gz OUJYWRAWILLNPE-CIAFOILYSA-N 0 0 364.430 4.104 50 30 FIEARN CCOc1ccc(S/N=C/c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000000829347 570459544 /nfs/dbraw/zinc/45/95/44/570459544.db2.gz CIDIYYGXKVVLDK-WOJGMQOQSA-N 0 0 362.407 4.137 50 30 FIEARN S=C(N/N=C/c1c[nH]c2ccc(Br)cc12)Nc1ccccc1 ZINC000000980719 570467725 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CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)ccc1O ZINC000003904857 570571453 /nfs/dbraw/zinc/57/14/53/570571453.db2.gz DLKJDCMSUYIMHY-NRFANRHFSA-N 0 0 350.418 4.377 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 ZINC000011914928 570601560 /nfs/dbraw/zinc/60/15/60/570601560.db2.gz FRRREGASEBYWEE-UHFFFAOYSA-N 0 0 351.431 4.331 50 30 FIEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OC2CCCC2)cc1 ZINC000252601779 570624204 /nfs/dbraw/zinc/62/42/04/570624204.db2.gz FDCKMUJQLXVHET-UHFFFAOYSA-N 0 0 364.474 4.437 50 30 FIEARN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC ZINC000033924262 570633901 /nfs/dbraw/zinc/63/39/01/570633901.db2.gz CEIQEBQHGTWLAC-UYRXBGFRSA-N 0 0 362.429 4.375 50 30 FIEARN Cc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005246713 570639928 /nfs/dbraw/zinc/63/99/28/570639928.db2.gz QRYDFAFKCAXGGZ-DYESRHJHSA-N 0 0 356.429 4.002 50 30 FIEARN N#CN=C(Nc1ccccc1)SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006529075 570648751 /nfs/dbraw/zinc/64/87/51/570648751.db2.gz 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Cc1ccc(S(=O)(=O)N=C(NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000015895114 207574986 /nfs/dbraw/zinc/57/49/86/207574986.db2.gz ABECJXUBEBZHPX-UHFFFAOYSA-N 0 0 374.481 4.192 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000019313812 207657220 /nfs/dbraw/zinc/65/72/20/207657220.db2.gz MEDLNZLUJOFGRS-GCJKJVERSA-N 0 0 373.452 4.221 50 30 FIEARN N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1 ZINC000021676335 207777729 /nfs/dbraw/zinc/77/77/29/207777729.db2.gz MPXFMYBAGWBPIW-UHFFFAOYSA-N 0 0 371.227 4.362 50 30 FIEARN CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccc(F)cc2)o1 ZINC000022109102 207796240 /nfs/dbraw/zinc/79/62/40/207796240.db2.gz MLFFEOALULZLRZ-UHFFFAOYSA-N 0 0 353.393 4.499 50 30 FIEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000027562245 207932794 /nfs/dbraw/zinc/93/27/94/207932794.db2.gz NGOXPFQVKXXTJI-UHFFFAOYSA-N 0 0 358.806 4.008 50 30 FIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccccn1 ZINC000032657446 208036084 /nfs/dbraw/zinc/03/60/84/208036084.db2.gz 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C=CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000014245513 571121228 /nfs/dbraw/zinc/12/12/28/571121228.db2.gz RRRBAIXMFSXXEX-CQSZACIVSA-N 0 0 351.402 4.497 50 30 FIEARN C=CCc1ccc(OC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 ZINC000000641453 571122926 /nfs/dbraw/zinc/12/29/26/571122926.db2.gz VSWAEQHKXFIDED-UHFFFAOYSA-N 0 0 355.390 4.211 50 30 FIEARN C=CCN1C(=O)SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O ZINC000000981863 571123237 /nfs/dbraw/zinc/12/32/37/571123237.db2.gz LFSQEQOBZLSJHM-GZTJUZNOSA-N 0 0 353.399 4.372 50 30 FIEARN CCOC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCCC2 ZINC000001501501 571123407 /nfs/dbraw/zinc/12/34/07/571123407.db2.gz INBNQEMLJPPEEK-RGVLZGJSSA-N 0 0 359.447 4.268 50 30 FIEARN C#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000002081407 571124559 /nfs/dbraw/zinc/12/45/59/571124559.db2.gz VSYQATWPRZFVCY-UHFFFAOYSA-N 0 0 366.511 4.110 50 30 FIEARN COc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccc(C)cc2)cc1 ZINC000000936607 571130933 /nfs/dbraw/zinc/13/09/33/571130933.db2.gz SFTXRYDZOMLUON-UHFFFAOYSA-N 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/nfs/dbraw/zinc/15/53/27/571155327.db2.gz HWRJKPYLFYBQOI-MJGOQNOKSA-N 0 0 355.869 4.479 50 30 FIEARN CC(C)(C)/N=C1\SCN(c2ccccc2)C(=O)N1Cc1cccnc1 ZINC000075260781 571158837 /nfs/dbraw/zinc/15/88/37/571158837.db2.gz VEXNZPJLGKFWGT-FXBPSFAMSA-N 0 0 354.479 4.369 50 30 FIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257356664 571163791 /nfs/dbraw/zinc/16/37/91/571163791.db2.gz JOIVCMKYTDBOIY-DWAOSOSVSA-N 0 0 356.506 4.491 50 30 FIEARN Cc1nc(COc2cccc(C(=O)N(C)c3cccc(C#N)c3)c2)cs1 ZINC000063326014 571168638 /nfs/dbraw/zinc/16/86/38/571168638.db2.gz RIPJBDMRIFALSO-UHFFFAOYSA-N 0 0 363.442 4.179 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005988414 571170203 /nfs/dbraw/zinc/17/02/03/571170203.db2.gz JZYWWEOIDNRCBK-FQEVSTJZSA-N 0 0 373.408 4.367 50 30 FIEARN C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1OC ZINC000006002994 571170490 /nfs/dbraw/zinc/17/04/90/571170490.db2.gz SEAWLBUCZHCPCH-PILJQMSFSA-N 0 0 363.504 4.260 50 30 FIEARN C=CCSc1nc2ccccc2n1CC(=O)Nc1c(F)cccc1F ZINC000012551729 571179602 /nfs/dbraw/zinc/17/96/02/571179602.db2.gz PJTYDAGFEDJARK-UHFFFAOYSA-N 0 0 359.401 4.231 50 30 FIEARN CC(C)[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000026758790 571197769 /nfs/dbraw/zinc/19/77/69/571197769.db2.gz JCSDFPJCWYHHKT-LJQANCHMSA-N 0 0 353.378 4.047 50 30 FIEARN N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002766689 571204607 /nfs/dbraw/zinc/20/46/07/571204607.db2.gz BPPKYAWKHFCYBX-NWDGAFQWSA-N 0 0 371.160 4.178 50 30 FIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000004026282 571205226 /nfs/dbraw/zinc/20/52/26/571205226.db2.gz VUOXWYSHLSLTID-LILXYRQWSA-N 0 0 352.474 4.486 50 30 biogenic FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000004078834 571211116 /nfs/dbraw/zinc/21/11/16/571211116.db2.gz ZPTIUEYORLMQKG-QLCVYAKKSA-N 0 0 373.459 4.366 50 30 FIEARN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000033286872 571230038 /nfs/dbraw/zinc/23/00/38/571230038.db2.gz QWIYOBASEFYWDA-BOPFTXTBSA-N 0 0 356.422 4.456 50 30 FIEARN CC(C)c1nc(C#N)c(N=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000006633904 571237623 /nfs/dbraw/zinc/23/76/23/571237623.db2.gz RRVWNFSZXHVXHT-KEBDBYFISA-N 0 0 365.349 4.284 50 30 FIEARN C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccccc1F ZINC000006743363 571244629 /nfs/dbraw/zinc/24/46/29/571244629.db2.gz HOZYLGPZCDKFGA-LJQANCHMSA-N 0 0 363.388 4.280 50 30 FIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)n1cnc2ccccc21 ZINC000065453232 571263466 /nfs/dbraw/zinc/26/34/66/571263466.db2.gz RTEQREYDHQIURS-GJZGRUSLSA-N 0 0 364.474 4.488 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000170615269 571268238 /nfs/dbraw/zinc/26/82/38/571268238.db2.gz RZKYMRPHXNRLSH-ICSRJNTNSA-N 0 0 369.486 4.133 50 30 FIEARN Cc1cncn1C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000170619643 571268733 /nfs/dbraw/zinc/26/87/33/571268733.db2.gz VLABUDKCANHLPE-UHFFFAOYSA-N 0 0 351.841 4.106 50 30 FIEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000170623852 571269339 /nfs/dbraw/zinc/26/93/39/571269339.db2.gz OXAVMGZSKSLYSI-UHFFFAOYSA-N 0 0 372.833 4.149 50 30 FIEARN O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1ccccc1 ZINC000013583228 571271265 /nfs/dbraw/zinc/27/12/65/571271265.db2.gz MPGUDOVOIJVNCH-ISURTVLTSA-N 0 0 359.454 4.305 50 30 FIEARN N#CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000006057476 571275001 /nfs/dbraw/zinc/27/50/01/571275001.db2.gz COPBIKDKWRASFI-UHFFFAOYSA-N 0 0 367.499 4.332 50 30 FIEARN C=CCc1cccc(C=Nn2c(-c3cccc(C)c3)n[n-]c2=S)c1O ZINC000001478872 571277554 /nfs/dbraw/zinc/27/75/54/571277554.db2.gz SPQGFYOTDIUATH-UDWIEESQSA-N 0 0 350.447 4.232 50 30 FIEARN Cc1ccc(C=Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)s1 ZINC000252462278 571279069 /nfs/dbraw/zinc/27/90/69/571279069.db2.gz REZSEEDHGLNFQU-UHFFFAOYSA-N 0 0 362.520 4.228 50 30 FIEARN CCN1C(=O)/C(=C\c2ccccc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252593799 571284379 /nfs/dbraw/zinc/28/43/79/571284379.db2.gz BMDGUIBBIDRPEN-AVZIYLOQSA-N 0 0 366.442 4.097 50 30 FIEARN CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc1OC ZINC000252610543 571285192 /nfs/dbraw/zinc/28/51/92/571285192.db2.gz ICITWNIVQJKGAF-ORZNGPHRSA-N 0 0 368.458 4.328 50 30 FIEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(C)C2=O)c1OC ZINC000252619607 571286925 /nfs/dbraw/zinc/28/69/25/571286925.db2.gz LQWIZDSFOOOBSE-DBOKLQOQSA-N 0 0 368.458 4.246 50 30 FIEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc(Cl)c1O ZINC000252623486 571288461 /nfs/dbraw/zinc/28/84/61/571288461.db2.gz OSTATBBUGDXUAS-ADRPSFFTSA-N 0 0 374.849 4.288 50 30 FIEARN N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007784572 571288946 /nfs/dbraw/zinc/28/89/46/571288946.db2.gz GDDMRYBFGJXNEV-NRFANRHFSA-N 0 0 369.380 4.058 50 30 FIEARN c1ccc(-c2nnc(N=NCc3ccncc3)nc2-c2ccccc2)cc1 ZINC000003902388 571292921 /nfs/dbraw/zinc/29/29/21/571292921.db2.gz KCRKEOFQLWEWDP-HZHRSRAPSA-N 0 0 352.401 4.047 50 30 FIEARN C=CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002257159 571293736 /nfs/dbraw/zinc/29/37/36/571293736.db2.gz GICGDODFUUVQPY-UHFFFAOYSA-N 0 0 371.444 4.222 50 30 FIEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)c(C)c1 ZINC000002261696 571293982 /nfs/dbraw/zinc/29/39/82/571293982.db2.gz NJZWHCHSLNWWMD-RYWLNDRFSA-N 0 0 365.502 4.466 50 30 FIEARN CC(=NO)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NO)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000253531414 571318758 /nfs/dbraw/zinc/31/87/58/571318758.db2.gz KSSPDEQUJJVMTE-LDIYZUBKSA-N 0 0 360.498 4.361 50 30 FIEARN Cc1cccc(-n2cc(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)cn2)c1 ZINC000075500838 571319969 /nfs/dbraw/zinc/31/99/69/571319969.db2.gz VNRLBKOTANTAOM-UHFFFAOYSA-N 0 0 370.456 4.072 50 30 FIEARN COc1cc(-c2cc(-c3ccc4[nH]ccc4c3)c(C#N)c(N)n2)ccc1O ZINC000067818506 571321831 /nfs/dbraw/zinc/32/18/31/571321831.db2.gz YFKNSZXAJQYZER-UHFFFAOYSA-N 0 0 356.385 4.065 50 30 FIEARN N#Cc1c(N)nc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(O)c(O)c1 ZINC000067895931 571321913 /nfs/dbraw/zinc/32/19/13/571321913.db2.gz CILXXGOXYPHXLC-UHFFFAOYSA-N 0 0 371.318 4.299 50 30 FIEARN N#Cc1ccc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)nc1 ZINC000013002384 571322975 /nfs/dbraw/zinc/32/29/75/571322975.db2.gz GITWWAFXEWYHNK-UHFFFAOYSA-N 0 0 368.893 4.144 50 30 FIEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1cccnc1 ZINC000013228236 571323096 /nfs/dbraw/zinc/32/30/96/571323096.db2.gz YKDHRSVYCDXJIT-JMIUGGIZSA-N 0 0 374.352 4.185 50 30 FIEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000328589313 571323476 /nfs/dbraw/zinc/32/34/76/571323476.db2.gz BKWXYIDZNAXJHD-UHFFFAOYSA-N 0 0 367.408 4.214 50 30 FIEARN C[C@@](NC(=O)c1cccc([N+](=O)[O-])c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000328592903 571323595 /nfs/dbraw/zinc/32/35/95/571323595.db2.gz MXHNIHLIBSXBNY-INIZCTEOSA-N 0 0 365.748 4.143 50 30 FIEARN Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cccnc3Cl)n2)cc1 ZINC000079101523 571326955 /nfs/dbraw/zinc/32/69/55/571326955.db2.gz FRMWPGCYADWBPL-ZDUSSCGKSA-N 0 0 368.849 4.413 50 30 FIEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020517678 571330503 /nfs/dbraw/zinc/33/05/03/571330503.db2.gz APJIGOSLGVEYBG-KLAYFECZSA-N 0 0 353.418 4.079 50 30 biogenic FIEARN N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027992932 571337394 /nfs/dbraw/zinc/33/73/94/571337394.db2.gz ALBLHKSQFITJBT-AWEZNQCLSA-N 0 0 354.435 4.117 50 30 FIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000056763084 571341552 /nfs/dbraw/zinc/34/15/52/571341552.db2.gz LBQVQFBRIJYTAI-ZDUSSCGKSA-N 0 0 364.898 4.436 50 30 FIEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002911309 571341606 /nfs/dbraw/zinc/34/16/06/571341606.db2.gz PNLKILZHNXPERK-UHFFFAOYSA-N 0 0 370.409 4.471 50 30 FIEARN Cc1ccc(CS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000227155110 571342746 /nfs/dbraw/zinc/34/27/46/571342746.db2.gz BLKVTOCBZXYQAO-UHFFFAOYSA-N 0 0 372.833 4.149 50 30 FIEARN O=C1c2ccccc2C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000003232644 571345846 /nfs/dbraw/zinc/34/58/46/571345846.db2.gz SEUKCMXNRYRETK-UHFFFAOYSA-N 0 0 352.187 4.393 50 30 FIEARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000003262099 571346282 /nfs/dbraw/zinc/34/62/82/571346282.db2.gz CDOSQBNPRORFSE-UHFFFAOYSA-N 0 0 370.836 4.305 50 30 FIEARN Cc1[nH]c(=S)sc1CC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000058077461 571347730 /nfs/dbraw/zinc/34/77/30/571347730.db2.gz MTZYRCLZQQGMBH-UHFFFAOYSA-N 0 0 370.524 4.383 50 30 FIEARN COc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000031777140 571353622 /nfs/dbraw/zinc/35/36/22/571353622.db2.gz YJBIEBWDPCGNLX-UHFFFAOYSA-N 0 0 358.397 4.398 50 30 FIEARN N#C[C@]1(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)CC12CCCC2 ZINC000333896309 1085186360 /nfs/dbraw/zinc/18/63/60/1085186360.db2.gz RPCOCXMOIYSDFW-KRWDZBQOSA-N 0 0 351.233 4.193 50 30 FIEARN CCCOC(=O)c1ccc(N=Cc2cc(Br)ccc2O)cc1 ZINC000252462070 1087357447 /nfs/dbraw/zinc/35/74/47/1087357447.db2.gz PNEOCDJCBMWXOM-UHFFFAOYSA-N 0 0 362.223 4.472 50 30 FIEARN CC1(C)C[C@H](NC(=O)N2CCCC[C@H]2c2cc[nH]n2)c2ccccc2O1 ZINC000329304150 1090366313 /nfs/dbraw/zinc/36/63/13/1090366313.db2.gz 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CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)ccn1 ZINC000330943848 1104688838 /nfs/dbraw/zinc/68/88/38/1104688838.db2.gz DQYXHEPTEDUCMJ-GXTWGEPZSA-N 0 0 373.419 4.336 50 30 FIEARN C[C@H](NC(=O)NCc1ccccc1CC(F)(F)F)c1cccc(C#N)c1 ZINC000598999760 1107669826 /nfs/dbraw/zinc/66/98/26/1107669826.db2.gz RFJYIZCNBOZNGX-ZDUSSCGKSA-N 0 0 361.367 4.223 50 30 FIEARN FC(F)Oc1ccc(C=NN=c2[nH]c3ccccc3o2)c(OC(F)F)c1 ZINC000254508864 1114154339 /nfs/dbraw/zinc/15/43/39/1114154339.db2.gz ZKKCWMVUMUIPCN-UHFFFAOYSA-N 0 0 369.274 4.477 50 30 FIEARN COc1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCC#N ZINC000033527594 1122622706 /nfs/dbraw/zinc/62/27/06/1122622706.db2.gz JZJZDFRLKJRKND-YVMONPNESA-N 0 0 361.357 4.224 50 30 FIEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000032831772 209852897 /nfs/dbraw/zinc/85/28/97/209852897.db2.gz ZJHOWLNBDFUPEA-LFYBBSHMSA-N 0 0 353.378 4.021 50 30 FIEARN CC(=O)/C(=N\OCc1c(C)c(C)c(C)c(C)c1C)c1ccc2c(c1)OCO2 ZINC000001048085 219358891 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/nfs/dbraw/zinc/29/21/40/571292140.db2.gz ZZQOFIJMVUAJMD-PQUVRPEGSA-N 0 0 354.431 4.025 50 30 FIEARN C=C(C)CSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 ZINC000002230910 571292474 /nfs/dbraw/zinc/29/24/74/571292474.db2.gz YLJRITPZZUBLIT-UHFFFAOYSA-N 0 0 374.535 4.421 50 30 FIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C ZINC000007903137 571292767 /nfs/dbraw/zinc/29/27/67/571292767.db2.gz MWXCVUHSCXFCJA-UHFFFAOYSA-N 0 0 356.495 4.070 50 30 FIEARN N#CCSc1nc2ccc(Br)cc2c2nc3ccccc3n21 ZINC000002973948 571293473 /nfs/dbraw/zinc/29/34/73/571293473.db2.gz IFCSNPVWGXOQMX-UHFFFAOYSA-N 0 0 369.247 4.414 50 30 FIEARN CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000002248519 571293784 /nfs/dbraw/zinc/29/37/84/571293784.db2.gz HRXBFBYTBLGFIV-BGBIMMFTSA-N 0 0 355.438 4.070 50 30 FIEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N21 ZINC000002258772 571293823 /nfs/dbraw/zinc/29/38/23/571293823.db2.gz YHJDCWDKXVQGJK-ZCNNSNEGSA-N 0 0 371.440 4.296 50 30 FIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@@](C)(CC)OC3 ZINC000002353105 571319006 /nfs/dbraw/zinc/31/90/06/571319006.db2.gz NZGAZJXYNMTXEP-GOSISDBHSA-N 0 0 362.520 4.164 50 30 FIEARN C=CCN(C(=O)c1nccc2ccsc21)c1nc2c(s1)CCCC2 ZINC000585123507 571320656 /nfs/dbraw/zinc/32/06/56/571320656.db2.gz IOSFMTWIMABRJV-UHFFFAOYSA-N 0 0 355.488 4.464 50 30 FIEARN N#Cc1cc(F)cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000077503259 571321058 /nfs/dbraw/zinc/32/10/58/571321058.db2.gz QUQKCBIXWBDMMY-UHFFFAOYSA-N 0 0 358.800 4.034 50 30 FIEARN Cc1c(NC(=O)C2CCCC2)ccc2c1NC(=O)C[C@@H]2c1ccccc1C#N ZINC000065455380 571321095 /nfs/dbraw/zinc/32/10/95/571321095.db2.gz NFZIWDKSBZAZJD-LJQANCHMSA-N 0 0 373.456 4.470 50 30 FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)o1 ZINC000002442934 571322364 /nfs/dbraw/zinc/32/23/64/571322364.db2.gz MSMOINWHXLIQEN-ODLFYWEKSA-N 0 0 353.418 4.142 50 30 biogenic FIEARN CC1(C)CC(=O)[C@H](C[C@H]2COC(C)(C)CC2N=Nc2ccccc2)CO1 ZINC000012861436 571322798 /nfs/dbraw/zinc/32/27/98/571322798.db2.gz HPBUPLSCXWKXPB-QWCNIOESSA-N 0 0 358.482 4.044 50 30 biogenic FIEARN N#Cc1ccc(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000079061754 571326766 /nfs/dbraw/zinc/32/67/66/571326766.db2.gz CJDVWTCLFKADIA-MRXNPFEDSA-N 0 0 367.796 4.338 50 30 FIEARN N#Cc1ccc(N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000079061759 571326812 /nfs/dbraw/zinc/32/68/12/571326812.db2.gz CJDVWTCLFKADIA-INIZCTEOSA-N 0 0 367.796 4.338 50 30 FIEARN CC1CCN(C2=C(Nc3ccc(F)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000020070103 571327937 /nfs/dbraw/zinc/32/79/37/571327937.db2.gz BDJPXTBRXJTBGR-UHFFFAOYSA-N 0 0 364.420 4.260 50 30 FIEARN N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccco1 ZINC000020432633 571329396 /nfs/dbraw/zinc/32/93/96/571329396.db2.gz NFAAXHAXRUCXOV-UHFFFAOYSA-N 0 0 352.806 4.472 50 30 FIEARN COC(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 ZINC000021514421 571334869 /nfs/dbraw/zinc/33/48/69/571334869.db2.gz JWYLQUIVSFJXFL-UHFFFAOYSA-N 0 0 366.364 4.359 50 30 FIEARN CC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182523 571338266 /nfs/dbraw/zinc/33/82/66/571338266.db2.gz CLDIFSXWWHLIBV-JMIUGGIZSA-N 0 0 361.397 4.071 50 30 FIEARN N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccco2)no1 ZINC000055844333 571338970 /nfs/dbraw/zinc/33/89/70/571338970.db2.gz DMFXMWWEZSFPMV-UHFFFAOYSA-N 0 0 359.345 4.001 50 30 FIEARN C=CCn1c(CNc2ccccc2)nnc1SCC(=O)c1ccccc1 ZINC000002742513 571340765 /nfs/dbraw/zinc/34/07/65/571340765.db2.gz BQHHCYWTDNBDNX-UHFFFAOYSA-N 0 0 364.474 4.051 50 30 FIEARN COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N ZINC000002765446 571340825 /nfs/dbraw/zinc/34/08/25/571340825.db2.gz WSEURPDRSXMVNN-UHFFFAOYSA-N 0 0 358.366 4.112 50 30 FIEARN Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl ZINC000002782588 571340959 /nfs/dbraw/zinc/34/09/59/571340959.db2.gz JUNUQLBKCPJZNQ-MWLCHTKSSA-N 0 0 362.886 4.103 50 30 FIEARN CCOc1cc(C/N=C/c2cc(Br)ccc2O)ccc1OC ZINC000057412009 571343245 /nfs/dbraw/zinc/34/32/45/571343245.db2.gz VFKZSGRWLURELC-YBFXNURJSA-N 0 0 364.239 4.181 50 30 FIEARN C=CCN(Cc1cccs1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000057763542 571345234 /nfs/dbraw/zinc/34/52/34/571345234.db2.gz NNQZTHIEPDPTFW-UHFFFAOYSA-N 0 0 355.459 4.311 50 30 FIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OC(F)F)cc1OC(F)F ZINC000003318214 571347279 /nfs/dbraw/zinc/34/72/79/571347279.db2.gz WTUOWXPRUIHKDY-UHFFFAOYSA-N 0 0 366.266 4.352 50 30 FIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(C3CC3)n2Cc2ccco2)cc1 ZINC000058167593 571349019 /nfs/dbraw/zinc/34/90/19/571349019.db2.gz KZWUUFYXEDMCNU-SFHVURJKSA-N 0 0 364.474 4.332 50 30 FIEARN CCOc1cccc2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)c(=O)oc21 ZINC000003911111 571353209 /nfs/dbraw/zinc/35/32/09/571353209.db2.gz NJOFNLBKGRPRTE-JLHYYAGUSA-N 0 0 363.413 4.154 50 30 FIEARN Cc1nc(C#N)c(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 ZINC000606422450 571353454 /nfs/dbraw/zinc/35/34/54/571353454.db2.gz KTNMZTCMPYIVTD-UHFFFAOYSA-N 0 0 373.391 4.459 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000004119631 571355582 /nfs/dbraw/zinc/35/55/82/571355582.db2.gz NUWVCJVPVQOPRQ-UYAOXDASSA-N 0 0 356.368 4.284 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OCC)cc1 ZINC000004119637 571355601 /nfs/dbraw/zinc/35/56/01/571355601.db2.gz JVRJRDKBIZRHET-FXAWDEMLSA-N 0 0 370.470 4.466 50 30 FIEARN COc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000032292029 571356926 /nfs/dbraw/zinc/35/69/26/571356926.db2.gz LXASHNFAHQZSFS-UHFFFAOYSA-N 0 0 358.397 4.398 50 30 FIEARN C[C@@H]1CCc2sc(NC(=O)[C@@H]3CCC(=O)c4cccn43)c(C#N)c2[C@@H]1C ZINC000333915803 1085193260 /nfs/dbraw/zinc/19/32/60/1085193260.db2.gz ZHSANKJETJMIRM-JMSVASOKSA-N 0 0 367.474 4.263 50 30 FIEARN COc1ccc(CCC(=O)N2CCCS/C2=N/Cc2ccccc2)cc1 ZINC000105037463 1086427426 /nfs/dbraw/zinc/42/74/26/1086427426.db2.gz GEORIVOLVHDGNP-QURGRASLSA-N 0 0 368.502 4.150 50 30 FIEARN CC1(C)CC[C@@H]2C[C@@H](NC(=O)C3(S(C)(=O)=O)CCC3)c3cccc1c32 ZINC000330021868 1091137688 /nfs/dbraw/zinc/13/76/88/1091137688.db2.gz YOTCJKAWXCVGGY-CZUORRHYSA-N 0 0 361.507 4.210 50 30 FIEARN Cc1c(N=Cc2ccc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000254743379 1114423412 /nfs/dbraw/zinc/42/34/12/1114423412.db2.gz CUXSFXKYADXJMJ-UHFFFAOYSA-N 0 0 357.413 4.495 50 30 FIEARN CC(=O)OCc1cc(C(=O)/C=C\c2ccc(Cl)cc2)ccc1OC(C)=O ZINC000033856995 1123268273 /nfs/dbraw/zinc/26/82/73/1123268273.db2.gz PMAPQFUTCQFRPY-UITAMQMPSA-N 0 0 372.804 4.225 50 30 FIEARN CCOC(=O)CSc1nc(C2CC2)cc(-c2ccc(F)cc2)c1C#N ZINC000000754963 210267758 /nfs/dbraw/zinc/26/77/58/210267758.db2.gz GXQHUVABZQLVEX-UHFFFAOYSA-N 0 0 356.422 4.292 50 30 FIEARN O=C(C=CNc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000754706 210267281 /nfs/dbraw/zinc/26/72/81/210267281.db2.gz IEGXPBVFVXRTFA-NXVVXOECSA-N 0 0 363.438 4.328 50 30 FIEARN Cc1ccc(Oc2ccc(C#N)c(C#N)c2)c(-n2nc3ccccc3n2)c1 ZINC000000727334 210266474 /nfs/dbraw/zinc/26/64/74/210266474.db2.gz GGOKXCBDXFVUIT-UHFFFAOYSA-N 0 0 351.369 4.265 50 30 FIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000000674352 210261048 /nfs/dbraw/zinc/26/10/48/210261048.db2.gz RFWBGAFTHAWLDS-GFCCVEGCSA-N 0 0 369.446 4.224 50 30 FIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000009012491 210247195 /nfs/dbraw/zinc/24/71/95/210247195.db2.gz LHVQAUUYSKOHFW-FQEVSTJZSA-N 0 0 370.408 4.173 50 30 FIEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2ccccc21 ZINC000028182784 210242118 /nfs/dbraw/zinc/24/21/18/210242118.db2.gz NEHVMHHNIOSNQY-JAIQZWGSSA-N 0 0 362.429 4.045 50 30 FIEARN CC(=O)Nc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)cc1 ZINC000096973225 210240486 /nfs/dbraw/zinc/24/04/86/210240486.db2.gz MUPKWRGPDUQNJW-JYRVWZFOSA-N 0 0 372.218 4.066 50 30 FIEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504034 210237460 /nfs/dbraw/zinc/23/74/60/210237460.db2.gz QSIQANCMADLMDY-VQIMKDEXSA-N 0 0 355.459 4.302 50 30 biogenic FIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCCC2)C1=O ZINC000022625622 210236313 /nfs/dbraw/zinc/23/63/13/210236313.db2.gz QCKMCZKYWKTMLS-MOSHPQCFSA-N 0 0 365.429 4.003 50 30 biogenic FIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O ZINC000012860345 210233743 /nfs/dbraw/zinc/23/37/43/210233743.db2.gz RFZNMWOKGHKYCQ-GRSHGNNSSA-N 0 0 350.370 4.044 50 30 biogenic FIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009419797 210231960 /nfs/dbraw/zinc/23/19/60/210231960.db2.gz AIQHFELJCBWLMW-UNOMPAQXSA-N 0 0 351.402 4.452 50 30 FIEARN Cc1c2c(ccc1OC(=O)C1CC1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008993349 210231792 /nfs/dbraw/zinc/23/17/92/210231792.db2.gz YGQBPAMGQRMZRK-RGVLZGJSSA-N 0 0 373.408 4.418 50 30 FIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(F)cc1 ZINC000008642975 210230631 /nfs/dbraw/zinc/23/06/31/210230631.db2.gz LZZLCNPPMSIEQE-GRSHGNNSSA-N 0 0 361.328 4.056 50 30 FIEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004082422 210229672 /nfs/dbraw/zinc/22/96/72/210229672.db2.gz BDJNJWJAJKMWQI-XIWCDJEOSA-N 0 0 374.521 4.297 50 30 biogenic FIEARN C=CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000002420166 210227541 /nfs/dbraw/zinc/22/75/41/210227541.db2.gz ZSMCDNKVHKXYQV-UHFFFAOYSA-N 0 0 370.788 4.221 50 30 FIEARN N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003344042 210226801 /nfs/dbraw/zinc/22/68/01/210226801.db2.gz CBILTJIWPAMMHU-UHFFFAOYSA-N 0 0 354.715 4.248 50 30 FIEARN C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000003927200 210180061 /nfs/dbraw/zinc/18/00/61/210180061.db2.gz METQSPRSQINEEU-HXCATZOESA-N 0 0 366.501 4.306 50 30 fda FIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccccc1)CC(=O)O3 ZINC000218017179 210174788 /nfs/dbraw/zinc/17/47/88/210174788.db2.gz HREMCHNSQMOONC-HPKGMJOESA-N 0 0 369.376 4.139 50 30 biogenic FIEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)NC(C)C ZINC000036115171 210170303 /nfs/dbraw/zinc/17/03/03/210170303.db2.gz QQSMKDQOLMXDPN-UHFFFAOYSA-N 0 0 359.495 4.137 50 30 FIEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)C1CC1 ZINC000036114347 210169491 /nfs/dbraw/zinc/16/94/91/210169491.db2.gz XTAPWHKICSRMJP-UHFFFAOYSA-N 0 0 356.491 4.264 50 30 FIEARN C=CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC=C)C1=O ZINC000027531534 210163716 /nfs/dbraw/zinc/16/37/16/210163716.db2.gz JRPFYRJVSSDEAC-GXDHUFHOSA-N 0 0 351.880 4.292 50 30 FIEARN Cc1csc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)n1 ZINC000025695158 210161956 /nfs/dbraw/zinc/16/19/56/210161956.db2.gz BBNICTQESPIILC-UHFFFAOYSA-N 0 0 370.518 4.425 50 30 FIEARN C=CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019707529 210157198 /nfs/dbraw/zinc/15/71/98/210157198.db2.gz IOTCSGQSXGEYTR-KRWDZBQOSA-N 0 0 362.260 4.149 50 30 FIEARN C=CCOc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000015011877 210146872 /nfs/dbraw/zinc/14/68/72/210146872.db2.gz OHALVWCCHJXMFB-QGOAFFKASA-N 0 0 366.442 4.342 50 30 FIEARN C=CCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OCC ZINC000016688994 210146279 /nfs/dbraw/zinc/14/62/79/210146279.db2.gz YJICRXPOKHIXRS-VBKFSLOCSA-N 0 0 361.488 4.037 50 30 FIEARN C=CCN(CC=C)C(=O)c1csc2nc(-c3ccc(CC)cc3)cn12 ZINC000011662358 210140727 /nfs/dbraw/zinc/14/07/27/210140727.db2.gz ZBDNFWYDCOMQPP-UHFFFAOYSA-N 0 0 351.475 4.439 50 30 FIEARN C=CCNC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 ZINC000004334957 210103689 /nfs/dbraw/zinc/10/36/89/210103689.db2.gz XCXOXFKUMDUJRG-YJBOKZPZSA-N 0 0 353.516 4.132 50 30 FIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000004033575 210103237 /nfs/dbraw/zinc/10/32/37/210103237.db2.gz DQCKSQRQVOWNQX-OAHLLOKOSA-N 0 0 363.848 4.152 50 30 FIEARN C=CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1 ZINC000004882809 210106263 /nfs/dbraw/zinc/10/62/63/210106263.db2.gz XSJUWNSHHBQZDB-JXAWBTAJSA-N 0 0 350.443 4.358 50 30 FIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000005209897 210105521 /nfs/dbraw/zinc/10/55/21/210105521.db2.gz QEJNAZOTBPCVSU-MRXNPFEDSA-N 0 0 361.445 4.142 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CC)c2ccnn2C)cn1 ZINC000065488466 210099394 /nfs/dbraw/zinc/09/93/94/210099394.db2.gz 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ZINC000004435955 219575124 /nfs/dbraw/zinc/57/51/24/219575124.db2.gz OBOPHFVPGNOROT-PJZFAXFVSA-N 0 0 374.469 4.420 50 30 FIEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000005023841 219641352 /nfs/dbraw/zinc/64/13/52/219641352.db2.gz JOWAVVANUNPDBD-KQWNVCNZSA-N 0 0 352.394 4.298 50 30 FIEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)c(C)c1 ZINC000005531168 219687740 /nfs/dbraw/zinc/68/77/40/219687740.db2.gz NWFXPCXZQCVMJK-ATVHPVEESA-N 0 0 367.474 4.388 50 30 FIEARN NC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 ZINC000059383376 212016362 /nfs/dbraw/zinc/01/63/62/212016362.db2.gz SHYHBVKSANTVTB-DJKKODMXSA-N 0 0 363.280 4.239 50 30 FIEARN COc1ccc2cc(CN(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2c1 ZINC000012974563 220047677 /nfs/dbraw/zinc/04/76/77/220047677.db2.gz LSSZSLRUTDRJPH-MRXNPFEDSA-N 0 0 374.440 4.146 50 30 FIEARN N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCCCC2 ZINC000013573960 220076224 /nfs/dbraw/zinc/07/62/24/220076224.db2.gz KIOXKWKHNLXQMP-UHFFFAOYSA-N 0 0 353.403 4.094 50 30 FIEARN 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ZINC000002382468 519222901 /nfs/dbraw/zinc/22/29/01/519222901.db2.gz JFXVZDYLEPYRPY-UHFFFAOYSA-N 0 0 370.503 4.232 50 30 FIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C ZINC000006911451 519257744 /nfs/dbraw/zinc/25/77/44/519257744.db2.gz SMUCIMMLOWBERP-CQSZACIVSA-N 0 0 368.462 4.152 50 30 FIEARN C=CCn1c2ccccc2nc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000005618801 519266976 /nfs/dbraw/zinc/26/69/76/519266976.db2.gz DREOIOYBNGBNFK-UHFFFAOYSA-N 0 0 367.474 4.345 50 30 FIEARN CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]21 ZINC000254504908 519758325 /nfs/dbraw/zinc/75/83/25/519758325.db2.gz IWRPVTXREVYBHT-ZDFQMMKCSA-N 0 0 372.505 4.265 50 30 FIEARN CC(C)c1ccc(CSc2nnc(SC[C@H](O)CC#N)s2)cc1 ZINC000240894824 519836397 /nfs/dbraw/zinc/83/63/97/519836397.db2.gz IQEUJFNFEAIQDP-CQSZACIVSA-N 0 0 365.549 4.320 50 30 FIEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1 ZINC000100574526 520059946 /nfs/dbraw/zinc/05/99/46/520059946.db2.gz XTTQENDSAZIQJG-LJQANCHMSA-N 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/nfs/dbraw/zinc/29/31/23/526293123.db2.gz DAHHGGWLSLHEON-KTKRTIGZSA-N 0 0 360.413 4.173 50 30 FIEARN Fc1cccc(NC(=S)N/N=C/c2cccn2Cc2ccccc2F)c1 ZINC000003051594 526395472 /nfs/dbraw/zinc/39/54/72/526395472.db2.gz VGMMQKFBKGZDAK-WSDLNYQXSA-N 0 0 370.428 4.135 50 30 FIEARN Fc1ccccc1Cn1cccc1/C=N/NC(=S)Nc1ccccc1F ZINC000003061190 526414117 /nfs/dbraw/zinc/41/41/17/526414117.db2.gz SNTJFMQJLYJYGH-WSDLNYQXSA-N 0 0 370.428 4.135 50 30 FIEARN N#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCCC1 ZINC000003405604 526436706 /nfs/dbraw/zinc/43/67/06/526436706.db2.gz HVZDBPHINDTNEB-UHFFFAOYSA-N 0 0 357.504 4.245 50 30 FIEARN N#CCc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000008744727 526482740 /nfs/dbraw/zinc/48/27/40/526482740.db2.gz XTDCUIFAICMTOK-UHFFFAOYSA-N 0 0 366.421 4.013 50 30 FIEARN Cc1nc(C)c(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)o2)s1 ZINC000040051708 526688870 /nfs/dbraw/zinc/68/88/70/526688870.db2.gz CNHDUWIXTCXYJW-AWEZNQCLSA-N 0 0 356.476 4.345 50 30 FIEARN O=C1C[C@@H](c2cccc3ccccc32)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000020731005 527023419 /nfs/dbraw/zinc/02/34/19/527023419.db2.gz AEQZHJZYUYMTTR-SFHVURJKSA-N 0 0 354.361 4.204 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1ccc(O)cc1)CC(=O)O3 ZINC000253406810 527126030 /nfs/dbraw/zinc/12/60/30/527126030.db2.gz JHMWTPGCGPPLOH-LTKMBJGESA-N 0 0 374.348 4.042 50 30 biogenic FIEARN COc1ccc(C(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1 ZINC000012250975 567891480 /nfs/dbraw/zinc/89/14/80/567891480.db2.gz KUKYOSVZHOKOCP-UHFFFAOYSA-N 0 0 350.399 4.197 50 30 FIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 ZINC000000702704 570450936 /nfs/dbraw/zinc/45/09/36/570450936.db2.gz FEQIAUJFXZYEHS-OAHLLOKOSA-N 0 0 371.439 4.181 50 30 FIEARN COc1ccc(C(=O)C=CNc2cccc(Br)c2)cc1OC ZINC000000870854 570462432 /nfs/dbraw/zinc/46/24/32/570462432.db2.gz VMTGRNVAVZWHCI-CMDGGOBGSA-N 0 0 362.223 4.275 50 30 FIEARN CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000004822738 570516497 /nfs/dbraw/zinc/51/64/97/570516497.db2.gz WCHZUYUJPFVKDG-UDWIEESQSA-N 0 0 365.345 4.316 50 30 FIEARN O=C1C[C@H](c2ccccc2)CC(Cl)=C1CS(=O)(=O)c1ccccc1 ZINC000003048686 570550609 /nfs/dbraw/zinc/55/06/09/570550609.db2.gz RWDPSFMZLZAYBJ-OAHLLOKOSA-N 0 0 360.862 4.100 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc21 ZINC000003098430 570551325 /nfs/dbraw/zinc/55/13/25/570551325.db2.gz LFWNGSRUVVXXPC-OAQYLSRUSA-N 0 0 361.441 4.371 50 30 FIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000003098479 570551381 /nfs/dbraw/zinc/55/13/81/570551381.db2.gz VMGJMLNYXKVLHT-JOCHJYFZSA-N 0 0 373.452 4.398 50 30 FIEARN Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1ccco1 ZINC000004870165 570552588 /nfs/dbraw/zinc/55/25/88/570552588.db2.gz RGMIQVNDCOMEJW-UHFFFAOYSA-N 0 0 363.348 4.103 50 30 FIEARN NC1=C(c2nc(-c3cccc(Cl)c3)cs2)C(=O)CN1C1CCCCC1 ZINC000034769911 570553023 /nfs/dbraw/zinc/55/30/23/570553023.db2.gz YGINEAHTYRHUDV-UHFFFAOYSA-N 0 0 373.909 4.308 50 30 FIEARN N#Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 ZINC000004880614 570553788 /nfs/dbraw/zinc/55/37/88/570553788.db2.gz VPECGWLQIJNCLC-UHFFFAOYSA-N 0 0 368.190 4.228 50 30 FIEARN CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004901582 570556818 /nfs/dbraw/zinc/55/68/18/570556818.db2.gz HRXBFBYTBLGFIV-AANLGRHESA-N 0 0 355.438 4.070 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C ZINC000004918514 570559253 /nfs/dbraw/zinc/55/92/53/570559253.db2.gz SSMJQMMCCGUIIP-PZJWPPBQSA-N 0 0 352.405 4.453 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 ZINC000004920017 570559752 /nfs/dbraw/zinc/55/97/52/570559752.db2.gz TWYZRYFQAAGRHT-FPOVZHCZSA-N 0 0 352.405 4.453 50 30 FIEARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C ZINC000005089316 570582931 /nfs/dbraw/zinc/58/29/31/570582931.db2.gz FXWBFKFGZRSADR-GFCCVEGCSA-N 0 0 360.870 4.046 50 30 FIEARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000005091902 570583756 /nfs/dbraw/zinc/58/37/56/570583756.db2.gz YHJDCWDKXVQGJK-AABGKKOBSA-N 0 0 371.440 4.296 50 30 FIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(F)cc2)C1=O ZINC000004478218 570592093 /nfs/dbraw/zinc/59/20/93/570592093.db2.gz ZAQVCMBJJGFCKH-VBKFSLOCSA-N 0 0 369.417 4.369 50 30 FIEARN CC(C)C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004646707 570598043 /nfs/dbraw/zinc/59/80/43/570598043.db2.gz GRYZCMXKHVIQOJ-HTXNQAPBSA-N 0 0 350.871 4.069 50 30 FIEARN C=CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C)C1=O ZINC000004660331 570598829 /nfs/dbraw/zinc/59/88/29/570598829.db2.gz JKTWZJZVVQNQRD-HOOMGSECSA-N 0 0 350.443 4.485 50 30 FIEARN O=C(/C=C/c1ccccc1Cl)c1cc(Br)ccc(=O)c1O ZINC000004667463 570600256 /nfs/dbraw/zinc/60/02/56/570600256.db2.gz GJEPBLKHWKUJOI-FNORWQNLSA-N 0 0 365.610 4.064 50 30 FIEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)cc2)C1=O ZINC000004688354 570601074 /nfs/dbraw/zinc/60/10/74/570601074.db2.gz PHQOGHPGSXSYTG-FOWTUZBSSA-N 0 0 351.427 4.149 50 30 FIEARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000004702779 570601716 /nfs/dbraw/zinc/60/17/16/570601716.db2.gz ACVWXQDLQGXWRF-IBGZPJMESA-N 0 0 371.440 4.451 50 30 FIEARN CCOc1ccccc1[C@H]1C2=C(NC3=C1C(=O)CCC3)c1ccccc1C2=O ZINC000004702772 570601821 /nfs/dbraw/zinc/60/18/21/570601821.db2.gz FVSCKHNFIKDEFF-HXUWFJFHSA-N 0 0 371.436 4.387 50 30 FIEARN C=CCc1cccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c1O ZINC000004737888 570603930 /nfs/dbraw/zinc/60/39/30/570603930.db2.gz QUTHWDDCBINJBV-FOKLQQMPSA-N 0 0 364.474 4.450 50 30 FIEARN O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914651 570613599 /nfs/dbraw/zinc/61/35/99/570613599.db2.gz LXYMGKZOHDWRAO-XJKSGUPXSA-N 0 0 369.823 4.483 50 30 FIEARN O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914660 570614071 /nfs/dbraw/zinc/61/40/71/570614071.db2.gz QKJZEMOSDKQWEN-YOEHRIQHSA-N 0 0 369.823 4.483 50 30 FIEARN O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914668 570614107 /nfs/dbraw/zinc/61/41/07/570614107.db2.gz QKJZEMOSDKQWEN-RHSMWYFYSA-N 0 0 369.823 4.483 50 30 FIEARN CNC(=NC(=O)c1ccc(-c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000005343068 570623790 /nfs/dbraw/zinc/62/37/90/570623790.db2.gz QFJSNLVSDVFSGW-UHFFFAOYSA-N 0 0 355.652 4.482 50 30 FIEARN COc1cc(Cl)c(Cl)c(C=NNc2ccc([N+](=O)[O-])cc2)c1O ZINC000005177087 570628887 /nfs/dbraw/zinc/62/88/87/570628887.db2.gz SWLRKKHTOCLJSY-REZTVBANSA-N 0 0 356.165 4.062 50 30 FIEARN Cc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc3ccccc32)S1 ZINC000006302727 570645413 /nfs/dbraw/zinc/64/54/13/570645413.db2.gz CWXCXXQRNTXINI-RXULLKCLSA-N 0 0 373.481 4.312 50 30 FIEARN O=S(=O)(N=C(Nc1cccc(F)c1)c1ccccc1)c1ccccc1 ZINC000006343890 570645877 /nfs/dbraw/zinc/64/58/77/570645877.db2.gz UPIYMPIASCAUAE-UHFFFAOYSA-N 0 0 354.406 4.073 50 30 FIEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005302617 570646590 /nfs/dbraw/zinc/64/65/90/570646590.db2.gz QUAKICSHPSUQHK-DYESRHJHSA-N 0 0 356.429 4.002 50 30 FIEARN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(O)cc1 ZINC000005376342 570650826 /nfs/dbraw/zinc/65/08/26/570650826.db2.gz NRELKHRKGIQGIS-ZROIWOOFSA-N 0 0 364.348 4.303 50 30 FIEARN CCOC(OCC)c1ccc(C(=O)[C@H]2O[C@H]2c2ccc(Cl)cc2)o1 ZINC000003168017 570656924 /nfs/dbraw/zinc/65/69/24/570656924.db2.gz OLQGSWFGXHFFAW-DLBZAZTESA-N 0 0 350.798 4.327 50 30 FIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)c(C#N)c1C ZINC000005470735 570660411 /nfs/dbraw/zinc/66/04/11/570660411.db2.gz USAAXVQCGPURLX-UHFFFAOYSA-N 0 0 369.490 4.279 50 30 FIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3c(OC)cccc3OC)sc2C1 ZINC000005476559 570661220 /nfs/dbraw/zinc/66/12/20/570661220.db2.gz MAIWFPINVAXDJW-GFCCVEGCSA-N 0 0 370.474 4.404 50 30 FIEARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000006653724 570682135 /nfs/dbraw/zinc/68/21/35/570682135.db2.gz OOZNIAXADDNVKT-PKNBQFBNSA-N 0 0 350.418 4.120 50 30 FIEARN CCn1cc(/C=C2/Oc3c(ccc(OCC#N)c3C)C2=O)c2ccccc21 ZINC000008993155 570686437 /nfs/dbraw/zinc/68/64/37/570686437.db2.gz 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O=C1c2ccccc2C(=O)C1=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005689575 570815515 /nfs/dbraw/zinc/81/55/15/570815515.db2.gz KRLXBENOWRHNOT-UHFFFAOYSA-N 0 0 362.385 4.048 50 30 FIEARN N#Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000004577018 570843673 /nfs/dbraw/zinc/84/36/73/570843673.db2.gz WOCRSDVGVROMNK-UHFFFAOYSA-N 0 0 366.364 4.145 50 30 FIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@@H](O)c1ccccc1 ZINC000103852165 570853333 /nfs/dbraw/zinc/85/33/33/570853333.db2.gz DIVCPJBAABHJNV-TTYLXTBDSA-N 0 0 367.514 4.334 50 30 FIEARN N#Cc1c(F)cccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000110644966 570881908 /nfs/dbraw/zinc/88/19/08/570881908.db2.gz INUYHVCQKZMYRT-UHFFFAOYSA-N 0 0 374.297 4.154 50 30 FIEARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(C#N)c1 ZINC000044757963 570898898 /nfs/dbraw/zinc/89/88/98/570898898.db2.gz JANODCIFHZTRLB-UHFFFAOYSA-N 0 0 355.397 4.371 50 30 FIEARN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089339 570926348 /nfs/dbraw/zinc/92/63/48/570926348.db2.gz GTOGZPLPWGECAE-LJQANCHMSA-N 0 0 353.491 4.140 50 30 FIEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2)cc1 ZINC000046125842 570926719 /nfs/dbraw/zinc/92/67/19/570926719.db2.gz HSLXHZMPZNABKA-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccccn2)cc1 ZINC000046125766 570926777 /nfs/dbraw/zinc/92/67/77/570926777.db2.gz XPJLAJFHEICVSG-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000010815414 570938227 /nfs/dbraw/zinc/93/82/27/570938227.db2.gz APXOTRHOKKHFGJ-GOSISDBHSA-N 0 0 370.836 4.024 50 30 FIEARN Cc1nn(C)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000006527228 570968803 /nfs/dbraw/zinc/96/88/03/570968803.db2.gz BEVPGVCHHUNSME-DJKKODMXSA-N 0 0 358.854 4.446 50 30 FIEARN N#Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000010958712 570979044 /nfs/dbraw/zinc/97/90/44/570979044.db2.gz BWDQNLCSVHGFBP-UHFFFAOYSA-N 0 0 356.307 4.015 50 30 FIEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 ZINC000002976500 571005005 /nfs/dbraw/zinc/00/50/05/571005005.db2.gz MLOAMUCTZIKPNV-UHFFFAOYSA-N 0 0 368.502 4.494 50 30 FIEARN O=[N+]([O-])c1ccc([C@H]2CCCCC2N=Nc2cccc(F)n2)c([N+](=O)[O-])c1 ZINC000029763725 571043117 /nfs/dbraw/zinc/04/31/17/571043117.db2.gz XKXUVHGBUPCOEW-KMCFQHSYSA-N 0 0 373.344 4.163 50 30 FIEARN Cc1cc(C)cc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004173649 571055308 /nfs/dbraw/zinc/05/53/08/571055308.db2.gz YGYCDVLQZDDCTK-UHFFFAOYSA-N 0 0 360.457 4.492 50 30 FIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000253617412 571056830 /nfs/dbraw/zinc/05/68/30/571056830.db2.gz LFSRETZWVUHKLB-JGVOIYKNSA-N 0 0 356.506 4.245 50 30 FIEARN CSc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000012738989 571060990 /nfs/dbraw/zinc/06/09/90/571060990.db2.gz HXKUDXSWPQHXGN-UHFFFAOYSA-N 0 0 365.458 4.245 50 30 FIEARN N#CCCCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000012745552 571065042 /nfs/dbraw/zinc/06/50/42/571065042.db2.gz BEDFDGDHDZKBIC-UHFFFAOYSA-N 0 0 355.850 4.435 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cc(C)[nH]n2)cn1 ZINC000067713982 571067056 /nfs/dbraw/zinc/06/70/56/571067056.db2.gz XHYNUEDHVZKCTQ-KRWDZBQOSA-N 0 0 372.476 4.435 50 30 FIEARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ccc(C#N)cn1 ZINC000040067590 571071434 /nfs/dbraw/zinc/07/14/34/571071434.db2.gz JVZZIZIABMPDKN-MRXNPFEDSA-N 0 0 356.429 4.403 50 30 FIEARN C=CCN1c2cc(NC(=O)c3ccccc3C)ccc2OCC(C)(C)C1=O ZINC000008959528 571082719 /nfs/dbraw/zinc/08/27/19/571082719.db2.gz TXAMLDWCLTXPOO-UHFFFAOYSA-N 0 0 364.445 4.185 50 30 FIEARN Cc1cc(C)cc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000032985452 571083154 /nfs/dbraw/zinc/08/31/54/571083154.db2.gz NGCPZBDOQZOAIS-GOSISDBHSA-N 0 0 368.436 4.239 50 30 FIEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nonc3N[C@@H](c3cccs3)C12 ZINC000040267178 571092134 /nfs/dbraw/zinc/09/21/34/571092134.db2.gz GBXYZFBNVDHXJQ-SJCJKPOMSA-N 0 0 364.430 4.111 50 30 FIEARN CC(=O)O[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 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O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1/N=C/c1ccc(F)cc1 ZINC000001036476 210304266 /nfs/dbraw/zinc/30/42/66/210304266.db2.gz HBHXXAFDCKRSOM-UHKUBQJDSA-N 0 0 359.360 4.083 50 30 FIEARN CCOC(=O)CCSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N ZINC000000804133 210272977 /nfs/dbraw/zinc/27/29/77/210272977.db2.gz NALFZUYCEFAQMQ-UHFFFAOYSA-N 0 0 360.401 4.315 50 30 FIEARN N#Cc1ccc(-n2cnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000049006542 221016618 /nfs/dbraw/zinc/01/66/18/221016618.db2.gz HSACVBOMZLMFMS-UHFFFAOYSA-N 0 0 356.307 4.015 50 30 FIEARN N#CCCOC1(C#CCN2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055231603 221063383 /nfs/dbraw/zinc/06/33/83/221063383.db2.gz LVBPXZOJHUJMGA-NRFANRHFSA-N 0 0 351.494 4.245 50 30 biogenic FIEARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C#N)c1 ZINC000065114672 221169950 /nfs/dbraw/zinc/16/99/50/221169950.db2.gz CYBZBFKDNGSSNZ-UHFFFAOYSA-N 0 0 359.433 4.036 50 30 FIEARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1cccc(C#N)c1 ZINC000065149395 221172808 /nfs/dbraw/zinc/17/28/08/221172808.db2.gz 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/nfs/dbraw/zinc/96/94/17/221969417.db2.gz WDEZAGXZUSQBLW-LWMBPPNESA-N 0 0 359.836 4.232 50 30 FIEARN CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000096004298 221988967 /nfs/dbraw/zinc/98/89/67/221988967.db2.gz CQNNZBMWIGPGKQ-JKSUJKDBSA-N 0 0 352.475 4.450 50 30 FIEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(Br)cc2F)c1 ZINC000096766903 222129640 /nfs/dbraw/zinc/12/96/40/222129640.db2.gz CRSPSCBLAGJASZ-VURMDHGXSA-N 0 0 362.198 4.443 50 30 FIEARN CS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1 ZINC000096814772 222130711 /nfs/dbraw/zinc/13/07/11/222130711.db2.gz TXVJQOKQNQVIDA-YHYXMXQVSA-N 0 0 354.349 4.005 50 30 FIEARN CCN(CC)c1ccc2cc(C(=O)/C=C\c3cccc(O)c3)c(=O)oc2c1 ZINC000096861787 222135480 /nfs/dbraw/zinc/13/54/80/222135480.db2.gz HEHAACNMUNGCJC-FLIBITNWSA-N 0 0 363.413 4.241 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1cccs1 ZINC000097104903 222160311 /nfs/dbraw/zinc/16/03/11/222160311.db2.gz QDMBWRLRWCBGRO-XLIONFOSSA-N 0 0 369.486 4.133 50 30 FIEARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000100207490 222238197 /nfs/dbraw/zinc/23/81/97/222238197.db2.gz ANHGBJIYAICRGQ-LBPRGKRZSA-N 0 0 373.191 4.357 50 30 FIEARN CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100288120 222240957 /nfs/dbraw/zinc/24/09/57/222240957.db2.gz BNCSYKIUCWOUQF-IBGZPJMESA-N 0 0 358.434 4.139 50 30 FIEARN CCn1c(-c2ccc(C)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1 ZINC000100859438 222255180 /nfs/dbraw/zinc/25/51/80/222255180.db2.gz FZGRREYAJLEPSH-UDHDDVGTSA-N 0 0 367.474 4.194 50 30 FIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 ZINC000100913875 222256822 /nfs/dbraw/zinc/25/68/22/222256822.db2.gz CPXGTOBNXDXQQG-QGZVFWFLSA-N 0 0 363.442 4.204 50 30 FIEARN CCCCCCCCCCCCSCS(=O)(=O)C[C@H](C)C(N)=O ZINC000101012908 222259770 /nfs/dbraw/zinc/25/97/70/222259770.db2.gz NTLBJIBTDDHWPY-INIZCTEOSA-N 0 0 365.605 4.134 50 30 FIEARN CCCCCCCCCCCCSCS(=O)(=O)C[C@@H](C)C(N)=O ZINC000101012912 222259871 /nfs/dbraw/zinc/25/98/71/222259871.db2.gz NTLBJIBTDDHWPY-MRXNPFEDSA-N 0 0 365.605 4.134 50 30 FIEARN COc1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000103226410 222326590 /nfs/dbraw/zinc/32/65/90/222326590.db2.gz LEWHQMSUVKLIFR-UDWIEESQSA-N 0 0 350.378 4.157 50 30 FIEARN O=[N+]([O-])c1ccc(/N=C(\c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000104203458 222353135 /nfs/dbraw/zinc/35/31/35/222353135.db2.gz KHZQIEIAALOFTP-VHEBQXMUSA-N 0 0 354.366 4.067 50 30 FIEARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000005065371 263338739 /nfs/dbraw/zinc/33/87/39/263338739.db2.gz VTRCROFOHZWFOT-CYBMUJFWSA-N 0 0 374.868 4.269 50 30 FIEARN CCCCOc1ccc(C(=O)O/N=C2/CCc3cc(OC)ccc32)cc1 ZINC000005060094 263338791 /nfs/dbraw/zinc/33/87/91/263338791.db2.gz BKFVWOPGCXTIAE-XDOYNYLZSA-N 0 0 353.418 4.381 50 30 FIEARN CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1O ZINC000005207139 263339204 /nfs/dbraw/zinc/33/92/04/263339204.db2.gz OHOYLMKYBIVBGP-AWQFTUOYSA-N 0 0 369.299 4.164 50 30 FIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000008991990 263358079 /nfs/dbraw/zinc/35/80/79/263358079.db2.gz PGPIFRUZHKFBMK-ZDLGFXPLSA-N 0 0 370.376 4.162 50 30 FIEARN C=CCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC ZINC000010288207 263364282 /nfs/dbraw/zinc/36/42/82/263364282.db2.gz DRMUNNYTLPSRKW-UHFFFAOYSA-N 0 0 368.458 4.142 50 30 FIEARN Cc1ccc(-c2ccc(C(=S)N3CCN(CCC#N)CC3)o2)cc1Cl ZINC000023115459 263386780 /nfs/dbraw/zinc/38/67/80/263386780.db2.gz QPHFJVJMVTWJRG-UHFFFAOYSA-N 0 0 373.909 4.115 50 30 FIEARN CCCc1noc(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)n1 ZINC000030770429 263391095 /nfs/dbraw/zinc/39/10/95/263391095.db2.gz PQLLFEAKWWTKDQ-UHFFFAOYSA-N 0 0 365.458 4.055 50 30 FIEARN C#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000020537056 518263081 /nfs/dbraw/zinc/26/30/81/518263081.db2.gz JYHLMFUIXLTKQQ-UHFFFAOYSA-N 0 0 350.418 4.195 50 30 FIEARN C(#CCSc1ncnc2ccccc21)CSc1ncnc2ccccc21 ZINC000096137132 518369355 /nfs/dbraw/zinc/36/93/55/518369355.db2.gz HWHRVPYIYBQROA-UHFFFAOYSA-N 0 0 374.494 4.461 50 30 FIEARN C=CCN(Cc1cccs1)C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000032859705 518789958 /nfs/dbraw/zinc/78/99/58/518789958.db2.gz YLUYJXWQPUPAQN-UHFFFAOYSA-N 0 0 354.479 4.211 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1 ZINC000004943565 518798177 /nfs/dbraw/zinc/79/81/77/518798177.db2.gz RUKKCABQXSLGIR-UHFFFAOYSA-N 0 0 359.838 4.280 50 30 FIEARN C=CCSc1ccccc1C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000013533663 519077587 /nfs/dbraw/zinc/07/75/87/519077587.db2.gz KILBBFKTKGVZRJ-UHFFFAOYSA-N 0 0 365.458 4.253 50 30 FIEARN C=CCn1c(SCCOc2ccccc2F)nnc1-c1ccccc1 ZINC000007787346 519235339 /nfs/dbraw/zinc/23/53/39/519235339.db2.gz BJLKGHKPOJLFNU-UHFFFAOYSA-N 0 0 355.438 4.441 50 30 FIEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(OC)cc1 ZINC000004346168 519241560 /nfs/dbraw/zinc/24/15/60/519241560.db2.gz SIWWURLALQIURV-UHFFFAOYSA-N 0 0 362.458 4.304 50 30 FIEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000008282464 519253016 /nfs/dbraw/zinc/25/30/16/519253016.db2.gz ZDNDNEGADBFXCB-ZDUSSCGKSA-N 0 0 368.433 4.085 50 30 FIEARN C=CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000004485682 519267247 /nfs/dbraw/zinc/26/72/47/519267247.db2.gz RNKKXTVMMCLGHV-UHFFFAOYSA-N 0 0 371.893 4.284 50 30 FIEARN CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1cccc2cccnc21 ZINC000004492378 519353326 /nfs/dbraw/zinc/35/33/26/519353326.db2.gz CKOLSBFVXGCSKI-DYTRJAOYSA-N 0 0 366.402 4.250 50 30 FIEARN CC(=O)Nc1sc(N=NC=CCc2ccccc2)nc1-c1cccs1 ZINC000013549699 519754126 /nfs/dbraw/zinc/75/41/26/519754126.db2.gz SOZHIFWTFLRUFA-QJEBJFPOSA-N 0 0 368.487 4.363 50 30 FIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc21 ZINC000010943495 519807773 /nfs/dbraw/zinc/80/77/73/519807773.db2.gz GWVMNVRXYYBIHX-ZUOKHONESA-N 0 0 368.506 4.042 50 30 FIEARN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000008409606 519834143 /nfs/dbraw/zinc/83/41/43/519834143.db2.gz HJVBVRNTITXSPD-HXUWFJFHSA-N 0 0 370.522 4.142 50 30 FIEARN CCCC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004498931 519887177 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C=CCNC(=S)N=NCc1cccc(OCc2cccc(Cl)c2)c1 ZINC000001969279 571202811 /nfs/dbraw/zinc/20/28/11/571202811.db2.gz UAKDADOCIMPWHY-CIAFOILYSA-N 0 0 359.882 4.314 50 30 FIEARN Cc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N4CCC[C@@H](C#N)C4)cc3)cc12 ZINC000534587374 571205490 /nfs/dbraw/zinc/20/54/90/571205490.db2.gz BSDWJNXBOSYQEC-INIZCTEOSA-N 0 0 371.440 4.292 50 30 FIEARN COc1nc2ccccc2cc1-c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000534591684 571205581 /nfs/dbraw/zinc/20/55/81/571205581.db2.gz UDRJMEOWPUFOBV-INIZCTEOSA-N 0 0 371.440 4.286 50 30 FIEARN Cc1cc(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3)o2)n(C)n1 ZINC000006527850 571207267 /nfs/dbraw/zinc/20/72/67/571207267.db2.gz VLFLKOWXZFIIAL-HJWRWDBZSA-N 0 0 356.809 4.450 50 30 FIEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004081840 571211353 /nfs/dbraw/zinc/21/13/53/571211353.db2.gz YRLVTBXOGJMZNC-ISMUUWQHSA-N 0 0 372.505 4.217 50 30 biogenic FIEARN CC/N=C1/S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1C1CCCCCC1 ZINC000033288487 571230063 /nfs/dbraw/zinc/23/00/63/571230063.db2.gz KXYWNIRPERNFKC-KXNKKEQVSA-N 0 0 374.506 4.416 50 30 FIEARN COCc1c(C#N)c(Nc2cccc(C(F)(F)F)c2)nc(C)c1[N+](=O)[O-] ZINC000004754903 571231274 /nfs/dbraw/zinc/23/12/74/571231274.db2.gz ZHKWSDAPTXAMCL-UHFFFAOYSA-N 0 0 366.299 4.079 50 30 FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4nsnc4c3)sc2C1 ZINC000006668943 571240166 /nfs/dbraw/zinc/24/01/66/571240166.db2.gz IGRDJOKAWDVHSO-SECBINFHSA-N 0 0 354.460 4.002 50 30 FIEARN CCN(C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)C1=CCCC1 ZINC000006821561 571248319 /nfs/dbraw/zinc/24/83/19/571248319.db2.gz KKYQTIWNUWDIFO-UHFFFAOYSA-N 0 0 369.412 4.289 50 30 FIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1 ZINC000036354473 571249463 /nfs/dbraw/zinc/24/94/63/571249463.db2.gz OYACTKAKPPKPJW-INIZCTEOSA-N 0 0 361.376 4.147 50 30 FIEARN C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc1 ZINC000006924192 571254774 /nfs/dbraw/zinc/25/47/74/571254774.db2.gz OBPNPZZERYSSSC-AQTBWJFISA-N 0 0 350.443 4.451 50 30 FIEARN C[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)n1cnc2ccccc21 ZINC000065453226 571263488 /nfs/dbraw/zinc/26/34/88/571263488.db2.gz RTEQREYDHQIURS-LSDHHAIUSA-N 0 0 364.474 4.488 50 30 FIEARN COc1ccc(-c2nc(COC(=O)c3cccc(C#N)c3)cs2)cc1 ZINC000007395869 571265005 /nfs/dbraw/zinc/26/50/05/571265005.db2.gz PCSZHBZRFKPEJD-UHFFFAOYSA-N 0 0 350.399 4.047 50 30 FIEARN Cc1sc2ncn(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccccc1 ZINC000007537508 571268157 /nfs/dbraw/zinc/26/81/57/571268157.db2.gz FKMKNCWQXOQEBT-UHFFFAOYSA-N 0 0 357.438 4.353 50 30 FIEARN N#Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000170615903 571268249 /nfs/dbraw/zinc/26/82/49/571268249.db2.gz KKRYEEFSKCJEBD-UHFFFAOYSA-N 0 0 354.124 4.165 50 30 FIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc(F)c(Cl)c1 ZINC000007582877 571277806 /nfs/dbraw/zinc/27/78/06/571277806.db2.gz ILKTYUAHJVBIGD-UHFFFAOYSA-N 0 0 370.858 4.463 50 30 FIEARN CC(=NOc1cnn(C(C)(C)C)c(=O)c1Cl)c1ccc(Cl)cc1 ZINC000252428022 571278651 /nfs/dbraw/zinc/27/86/51/571278651.db2.gz 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CCc1ccc(N=C2S/C(=C\c3cccc(OC)c3)C(=O)N2C)cc1 ZINC000252625447 571288920 /nfs/dbraw/zinc/28/89/20/571288920.db2.gz QKFXHXIAPJGCTK-JEFZPDFESA-N 0 0 352.459 4.491 50 30 FIEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)ccc1O ZINC000252625697 571288980 /nfs/dbraw/zinc/28/89/80/571288980.db2.gz QPIWBRXOUHNIFE-JEFZPDFESA-N 0 0 368.458 4.415 50 30 FIEARN ON=C1c2ccccc2OC(c2ccccc2)Oc2ccccc2C1=NO ZINC000252627408 571289206 /nfs/dbraw/zinc/28/92/06/571289206.db2.gz RTMRPUVMTWGJQN-UHFFFAOYSA-N 0 0 360.369 4.213 50 30 FIEARN COC(=O)c1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000252634644 571291342 /nfs/dbraw/zinc/29/13/42/571291342.db2.gz WPTXUSKDPKNZGM-UHFFFAOYSA-N 0 0 351.431 4.351 50 30 FIEARN CCN1C(=O)/C(=C\c2cccc(OC)c2O)SC1=Nc1ccccc1 ZINC000252644127 571292100 /nfs/dbraw/zinc/29/21/00/571292100.db2.gz ZZQOFIJMVUAJMD-ZQFDHWOPSA-N 0 0 354.431 4.025 50 30 FIEARN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1O ZINC000027527779 571311543 /nfs/dbraw/zinc/31/15/43/571311543.db2.gz TYKPRMJYWXJWMX-ZSOIEALJSA-N 0 0 363.232 4.493 50 30 FIEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cnnc(-c2ccccc2)c1 ZINC000253429009 571313351 /nfs/dbraw/zinc/31/33/51/571313351.db2.gz QCBHUOWFLHFOKR-UHFFFAOYSA-N 0 0 356.429 4.066 50 30 FIEARN O=C1CS/C(=N/N=C/c2cccs2)N1Cc1cccc2ccccc21 ZINC000002336599 571318191 /nfs/dbraw/zinc/31/81/91/571318191.db2.gz LVYGORDCHAMRGC-UCLIPEMJSA-N 0 0 365.483 4.367 50 30 FIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@@]5(C(C)=O)O[C@H]5[C@]4(C)CC[C@@H]32)C1 ZINC000253530459 571318786 /nfs/dbraw/zinc/31/87/86/571318786.db2.gz GWZAVXCYXHGFFE-GIWHIRBISA-N 0 0 372.505 4.217 50 30 biogenic FIEARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 ZINC000077536694 571321150 /nfs/dbraw/zinc/32/11/50/571321150.db2.gz GXXZOASKBWXGQT-IBGZPJMESA-N 0 0 370.456 4.277 50 30 FIEARN C/C(=N\OC(=O)c1c(C)onc1-c1ccccc1Cl)c1nccs1 ZINC000012953453 571322872 /nfs/dbraw/zinc/32/28/72/571322872.db2.gz UIRLSESROFEEJY-DJKKODMXSA-N 0 0 361.810 4.341 50 30 FIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1nc3ccccc3n1C(C)C)C2 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N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2 ZINC000002757186 571340753 /nfs/dbraw/zinc/34/07/53/571340753.db2.gz JCOPEFARXROIOC-UHFFFAOYSA-N 0 0 354.431 4.260 50 30 FIEARN Cc1c(C#N)c(NC(=O)c2csc3ccccc32)sc1C(=O)N(C)C ZINC000002772620 571340904 /nfs/dbraw/zinc/34/09/04/571340904.db2.gz FKPHMBWKTOLXMZ-UHFFFAOYSA-N 0 0 369.471 4.097 50 30 FIEARN C=CCNC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000003383979 571348817 /nfs/dbraw/zinc/34/88/17/571348817.db2.gz OTSPLJCBESNHPE-UHFFFAOYSA-N 0 0 363.244 4.090 50 30 FIEARN CCCCN(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000058167248 571348975 /nfs/dbraw/zinc/34/89/75/571348975.db2.gz RTSDXNVZRDMLCW-UHFFFAOYSA-N 0 0 364.445 4.137 50 30 FIEARN Cc1ccc([C@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003907095 571353143 /nfs/dbraw/zinc/35/31/43/571353143.db2.gz SOWOEMHGWPBDRP-CQSZACIVSA-N 0 0 367.474 4.354 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000004119630 571355605 /nfs/dbraw/zinc/35/56/05/571355605.db2.gz NUWVCJVPVQOPRQ-ICSRJNTNSA-N 0 0 356.368 4.284 50 30 FIEARN CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000004135346 571355962 /nfs/dbraw/zinc/35/59/62/571355962.db2.gz WKFXYYUJQDAXKL-HYARGMPZSA-N 0 0 363.369 4.426 50 30 FIEARN CC1(C#N)CCN(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000670466598 571358820 /nfs/dbraw/zinc/35/88/20/571358820.db2.gz DIDYHBJEDVTOLK-UHFFFAOYSA-N 0 0 357.841 4.435 50 30 FIEARN Cc1nc2cc(C(=O)Nc3cccc(C#N)c3)ccc2n1-c1ccccc1 ZINC000008281523 571360205 /nfs/dbraw/zinc/36/02/05/571360205.db2.gz LKBZJWBOJXYQBK-UHFFFAOYSA-N 0 0 352.397 4.458 50 30 FIEARN N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000120873474 1080901761 /nfs/dbraw/zinc/90/17/61/1080901761.db2.gz QLNICVZWLDFJCR-CQSZACIVSA-N 0 0 371.366 4.004 50 30 FIEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000002468958 1082443350 /nfs/dbraw/zinc/44/33/50/1082443350.db2.gz YONPZOTXVLIQRE-RTWAWAEBSA-N 0 0 360.457 4.236 50 30 FIEARN C[C@H]1CCC(=CNCCCCCCNC=C2CC[C@H](C)CC2=O)C(=O)C1 ZINC000022588774 1082963147 /nfs/dbraw/zinc/96/31/47/1082963147.db2.gz JVPZUSSZOFCTNT-CVGJAPJBSA-N 0 0 360.542 4.272 50 30 FIEARN N#Cc1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)nc1 ZINC000107765165 1085420251 /nfs/dbraw/zinc/42/02/51/1085420251.db2.gz GLRQQQZEZCTWQA-UHFFFAOYSA-N 0 0 362.820 4.471 50 30 FIEARN C=CCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000002677513 1086126039 /nfs/dbraw/zinc/12/60/39/1086126039.db2.gz QCFGEEWEAAMWTN-UHFFFAOYSA-N 0 0 354.475 4.103 50 30 FIEARN C[C@H](NC(=O)C[NH+]1CCC(n2ccnc2)CC1)c1ccc2c(c1)CCCC2 ZINC000329234145 1090243610 /nfs/dbraw/zinc/24/36/10/1090243610.db2.gz MNSVPBYKMGJDIA-KRWDZBQOSA-N 0 0 366.509 4.117 50 30 FIEARN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccccc1C1CC1 ZINC000329803299 1091114540 /nfs/dbraw/zinc/11/45/40/1091114540.db2.gz LDIWMIYTBVAPTP-VCBZYWHSSA-N 0 0 363.523 4.403 50 30 FIEARN COc1c(C)cnc(CN(C)C(=O)N[C@H]2CCCc3ccc(F)cc32)c1C ZINC000330025551 1091137404 /nfs/dbraw/zinc/13/74/04/1091137404.db2.gz KSAVTEMBFLWCHW-SFHVURJKSA-N 0 0 371.456 4.270 50 30 FIEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F ZINC000007743805 1106978334 /nfs/dbraw/zinc/97/83/34/1106978334.db2.gz TWJONKBXAPKHPC-ZZXKWVIFSA-N 0 0 362.328 4.312 50 30 FIEARN CC[C@@H]1S/C(=N/N=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000254300838 1113846579 /nfs/dbraw/zinc/84/65/79/1113846579.db2.gz QXDDVHRCTYAVPE-KRWDZBQOSA-N 0 0 362.458 4.166 50 30 FIEARN CCN=c1scc(-c2ccc(OC)cc2)n1N=C(C)c1ccc(C)o1 ZINC000254525917 1114199414 /nfs/dbraw/zinc/19/94/14/1114199414.db2.gz XXDKEXMCQQMVLE-UHFFFAOYSA-N 0 0 355.463 4.320 50 30 FIEARN N/N=C(\c1cccs1)c1nn(-c2ccccc2)cc1Cc1cccs1 ZINC000221527797 1121223774 /nfs/dbraw/zinc/22/37/74/1121223774.db2.gz FDRZRDOKYHUULH-XUTLUUPISA-N 0 0 364.499 4.297 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C\c1cccs1 ZINC000033636571 1122800822 /nfs/dbraw/zinc/80/08/22/1122800822.db2.gz NINLWFVPYHEYSD-IJISOCMKSA-N 0 0 367.470 4.185 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000753487 210267609 /nfs/dbraw/zinc/26/76/09/210267609.db2.gz SRRGUMADVKEVHZ-INIZCTEOSA-N 0 0 366.244 4.134 50 30 FIEARN C(=N/n1c(SCc2ccccc2)nnc1-c1cccnc1)\c1ccco1 ZINC000000716115 210264218 /nfs/dbraw/zinc/26/42/18/210264218.db2.gz RWRCZOQCICJZLP-FYJGNVAPSA-N 0 0 361.430 4.108 50 30 FIEARN COc1ccc(C=CC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000000712885 210263495 /nfs/dbraw/zinc/26/34/95/210263495.db2.gz MOJZHZLCHIGRNF-RUJXFNLJSA-N 0 0 350.336 4.118 50 30 biogenic FIEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1O ZINC000000672736 210260713 /nfs/dbraw/zinc/26/07/13/210260713.db2.gz YZGAYJFENQFBOB-UHFFFAOYSA-N 0 0 373.202 4.016 50 30 FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc4c(c3)OCO4)sc2C1 ZINC000000670584 210259937 /nfs/dbraw/zinc/25/99/37/210259937.db2.gz NLCDWWUWKZOASO-RPTYSRGTSA-N 0 0 366.442 4.125 50 30 FIEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2F)C1 ZINC000009108627 210250931 /nfs/dbraw/zinc/25/09/31/210250931.db2.gz MRQMQGDGZIRULF-LHSJRXKWSA-N 0 0 374.419 4.141 50 30 FIEARN C=CCn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1cnccn1 ZINC000157826361 210247761 /nfs/dbraw/zinc/24/77/61/210247761.db2.gz MPYGGUOSYIVNJF-SFHVURJKSA-N 0 0 363.490 4.481 50 30 FIEARN O=C(/C=C\c1coc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000033626048 210245917 /nfs/dbraw/zinc/24/59/17/210245917.db2.gz AQXAMDTXSACVFN-YFHOEESVSA-N 0 0 355.187 4.452 50 30 FIEARN COc1cc(/C=C\C(=O)Nc2cccc(C#N)c2)ccc1OCC(C)C ZINC000096402981 210238908 /nfs/dbraw/zinc/23/89/08/210238908.db2.gz UFTFBVYGFDRQAH-NTMALXAHSA-N 0 0 350.418 4.254 50 30 FIEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](CC)CC)C1=O ZINC000013653798 210234323 /nfs/dbraw/zinc/23/43/23/210234323.db2.gz VWUYZAWZBWFQJN-MOSHPQCFSA-N 0 0 367.445 4.249 50 30 FIEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000008991935 210230286 /nfs/dbraw/zinc/23/02/86/210230286.db2.gz FGDNYRIMCKCHHI-IUXPMGMMSA-N 0 0 373.202 4.033 50 30 biogenic FIEARN COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1Cl ZINC000025695134 210161916 /nfs/dbraw/zinc/16/19/16/210161916.db2.gz OAGRNAAZLHKKAV-UHFFFAOYSA-N 0 0 357.837 4.050 50 30 FIEARN C=CCN(CC=C)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022653307 210159564 /nfs/dbraw/zinc/15/95/64/210159564.db2.gz IGOBHDJJPILMPI-UHFFFAOYSA-N 0 0 373.474 4.255 50 30 FIEARN C=CCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc(OC)c1OC ZINC000024474652 210158024 /nfs/dbraw/zinc/15/80/24/210158024.db2.gz KUSMPWDHHIEIKU-LBPRGKRZSA-N 0 0 361.388 4.202 50 30 FIEARN C=CCn1c(SCc2cccc(Br)c2)nnc1C1CC1 ZINC000017072654 210154421 /nfs/dbraw/zinc/15/44/21/210154421.db2.gz HWYQWQODGIDSOW-UHFFFAOYSA-N 0 0 350.285 4.396 50 30 FIEARN C=CCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 ZINC000002264930 210151480 /nfs/dbraw/zinc/15/14/80/210151480.db2.gz QSJUKIXLLOTMJU-UHFFFAOYSA-N 0 0 352.438 4.090 50 30 FIEARN C=CCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc21 ZINC000002321173 210151205 /nfs/dbraw/zinc/15/12/05/210151205.db2.gz WWDXTUFYYIZVPV-AWEZNQCLSA-N 0 0 372.428 4.119 50 30 FIEARN C=CCn1c(SCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001307314 210149365 /nfs/dbraw/zinc/14/93/65/210149365.db2.gz NCFHRHQYZGYAQI-UHFFFAOYSA-N 0 0 364.536 4.243 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccs1 ZINC000000985892 210149099 /nfs/dbraw/zinc/14/90/99/210149099.db2.gz CRIAIFLJMLPNKS-UHFFFAOYSA-N 0 0 370.503 4.232 50 30 FIEARN CO[P@@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 ZINC000001310224 210147749 /nfs/dbraw/zinc/14/77/49/210147749.db2.gz KZALOBXNUSOFOH-KKSFZXQISA-N 0 0 365.163 4.374 50 30 FIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000012912132 210142052 /nfs/dbraw/zinc/14/20/52/210142052.db2.gz WLPKUURYDOFLQU-UHFFFAOYSA-N 0 0 357.866 4.416 50 30 FIEARN C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2[C@H](C)CC)cs1 ZINC000007981929 210135971 /nfs/dbraw/zinc/13/59/71/210135971.db2.gz ZENJVZIEGXYLJG-CYBMUJFWSA-N 0 0 373.478 4.050 50 30 FIEARN Cc1cc(NC(=O)N2CCc3c(Cl)cccc3C2)c(C#N)cc1N(C)C ZINC000328595695 210110347 /nfs/dbraw/zinc/11/03/47/210110347.db2.gz AVJXEBHOZSVTOI-UHFFFAOYSA-N 0 0 368.868 4.176 50 30 FIEARN C#CCOc1ccc(/C=C2\c3cc(Cl)ccc3NC2=O)cc1OCC ZINC000006340077 210108876 /nfs/dbraw/zinc/10/88/76/210108876.db2.gz LUNJHGKWPNKMPL-MHWRWJLKSA-N 0 0 353.805 4.243 50 30 FIEARN C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)C ZINC000006690145 210108715 /nfs/dbraw/zinc/10/87/15/210108715.db2.gz LSUJQMPYUKJOAT-UHFFFAOYSA-N 0 0 366.292 4.409 50 30 FIEARN C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 ZINC000006559127 210108464 /nfs/dbraw/zinc/10/84/64/210108464.db2.gz ZXYYAKXXCMXEFJ-UHFFFAOYSA-N 0 0 374.535 4.137 50 30 FIEARN C=CCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000006022246 210107823 /nfs/dbraw/zinc/10/78/23/210107823.db2.gz WZXCVPGYRMWVAQ-UHFFFAOYSA-N 0 0 360.373 4.457 50 30 FIEARN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000004599312 210104437 /nfs/dbraw/zinc/10/44/37/210104437.db2.gz AMRGIBLFVAXCOQ-DEDYPNTBSA-N 0 0 372.449 4.359 50 30 FIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000004385967 210104156 /nfs/dbraw/zinc/10/41/56/210104156.db2.gz ZTOXSSQNMSYMIJ-IBGZPJMESA-N 0 0 359.473 4.171 50 30 FIEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000004492820 210103594 /nfs/dbraw/zinc/10/35/94/210103594.db2.gz QVISJDQLKSGBBI-CYBMUJFWSA-N 0 0 355.438 4.481 50 30 FIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004385009 210103559 /nfs/dbraw/zinc/10/35/59/210103559.db2.gz QLHOLIOOLXELDO-CQSZACIVSA-N 0 0 351.837 4.396 50 30 FIEARN C=CCN(C(=O)[C@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000134357049 210075318 /nfs/dbraw/zinc/07/53/18/210075318.db2.gz ZULRYGDMLLDSGD-PBHICJAKSA-N 0 0 354.475 4.334 50 30 FIEARN C=CCN(CC=C)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427881 210070947 /nfs/dbraw/zinc/07/09/47/210070947.db2.gz MHOQYVBLZMHXHD-UHFFFAOYSA-N 0 0 361.445 4.490 50 30 FIEARN C=C(C)COc1ccccc1C(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC000055153950 210067706 /nfs/dbraw/zinc/06/77/06/210067706.db2.gz CZBYHRFAZQIPDQ-MRXNPFEDSA-N 0 0 369.465 4.168 50 30 FIEARN Cn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1Cl ZINC000001150845 219380980 /nfs/dbraw/zinc/38/09/80/219380980.db2.gz FEFIUJFMLVDIBA-UHFFFAOYSA-N 0 0 354.866 4.223 50 30 FIEARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CNc1ccc(C#N)cc1 ZINC000059951837 212018801 /nfs/dbraw/zinc/01/88/01/212018801.db2.gz MWTZTZLZTCQRPR-GFCCVEGCSA-N 0 0 362.260 4.497 50 30 FIEARN N#Cc1ccc(NCC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000059952088 212018548 /nfs/dbraw/zinc/01/85/48/212018548.db2.gz QXMUPPHLRYAPDQ-UHFFFAOYSA-N 0 0 357.413 4.079 50 30 FIEARN N#Cc1c(COC(=O)c2cc3ccccc3c(Cl)n2)cn2ccccc12 ZINC000058750559 212013848 /nfs/dbraw/zinc/01/38/48/212013848.db2.gz TVJFWSPIKYTBRN-UHFFFAOYSA-N 0 0 361.788 4.370 50 30 FIEARN O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000058174583 211988550 /nfs/dbraw/zinc/98/85/50/211988550.db2.gz PIGRZDXPSGFVKE-NSCUHMNNSA-N 0 0 368.439 4.099 50 30 FIEARN COc1cc(C#N)ccc1OC(=O)CCCOc1ccc(Cl)cc1C ZINC000015988501 220174552 /nfs/dbraw/zinc/17/45/52/220174552.db2.gz SKPOFQNMXCKEOQ-UHFFFAOYSA-N 0 0 359.809 4.293 50 30 FIEARN Cc1nccnc1-c1cccc(-c2ccn(Cc3cccc(C#N)c3)n2)c1 ZINC000019225533 220240986 /nfs/dbraw/zinc/24/09/86/220240986.db2.gz CQEGSNXKCFTVCD-UHFFFAOYSA-N 0 0 351.413 4.236 50 30 FIEARN COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OC ZINC000040140039 211497514 /nfs/dbraw/zinc/49/75/14/211497514.db2.gz FMWLIZFDLRQVLN-QPJJXVBHSA-N 0 0 350.773 4.401 50 30 FIEARN CCSc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000020617972 211291851 /nfs/dbraw/zinc/29/18/51/211291851.db2.gz YXFZVOZVDPYLJO-DJKKODMXSA-N 0 0 362.842 4.098 50 30 FIEARN CC(=O)c1cc(C#N)c(NCc2cc(-c3ccc(Cl)cc3)no2)nc1C ZINC000020385973 211277508 /nfs/dbraw/zinc/27/75/08/211277508.db2.gz MQLFFXCDLVMSFL-UHFFFAOYSA-N 0 0 366.808 4.385 50 30 FIEARN Cc1ccc(CN2CCN(/N=C/c3cccc(Cl)c3Cl)CC2)cc1 ZINC000020190746 211271138 /nfs/dbraw/zinc/27/11/38/211271138.db2.gz GTBSGUCDHQARNC-LPYMAVHISA-N 0 0 362.304 4.454 50 30 FIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020191415 211269800 /nfs/dbraw/zinc/26/98/00/211269800.db2.gz WNDIXGVPUOWMQF-LPYMAVHISA-N 0 0 362.304 4.454 50 30 FIEARN CN1C/C(=C\c2ccc(F)c(F)c2)C(=O)/C(=C/c2ccc(F)c(F)c2)C1 ZINC000020115580 211267690 /nfs/dbraw/zinc/26/76/90/211267690.db2.gz MCMSKNSVBYTVHK-MKFXEVHTSA-N 0 0 361.338 4.225 50 30 FIEARN Cc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c(C)c1 ZINC000019909834 211262488 /nfs/dbraw/zinc/26/24/88/211262488.db2.gz OSLAXSMSYSMHLM-FNORWQNLSA-N 0 0 359.219 4.028 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000019902522 211261240 /nfs/dbraw/zinc/26/12/40/211261240.db2.gz GHIUADWQTZTWIE-HXUWFJFHSA-N 0 0 353.462 4.341 50 30 FIEARN CN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O ZINC000019799347 211257033 /nfs/dbraw/zinc/25/70/33/211257033.db2.gz APCJTYHCPHLEHF-HNNXBMFYSA-N 0 0 353.249 4.333 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000019772487 211254723 /nfs/dbraw/zinc/25/47/23/211254723.db2.gz LIAKGBFHHZIGPB-JOCHJYFZSA-N 0 0 373.452 4.495 50 30 FIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC ZINC000019638502 211242654 /nfs/dbraw/zinc/24/26/54/211242654.db2.gz ORNMNLFIPDEZDH-IBGZPJMESA-N 0 0 369.461 4.006 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(O)c1O ZINC000018276441 211197839 /nfs/dbraw/zinc/19/78/39/211197839.db2.gz GJQHXKXRJAGUTH-LJQANCHMSA-N 0 0 350.418 4.320 50 30 FIEARN COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c(OC)c1 ZINC000018206370 211195603 /nfs/dbraw/zinc/19/56/03/211195603.db2.gz UOANGOJGUCZQAD-ZDLGFXPLSA-N 0 0 368.458 4.212 50 30 FIEARN COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N ZINC000017440313 211186748 /nfs/dbraw/zinc/18/67/48/211186748.db2.gz ACIZZXXGRGTORB-UHFFFAOYSA-N 0 0 350.399 4.145 50 30 FIEARN CC(C)C(N=Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000017352103 211184736 /nfs/dbraw/zinc/18/47/36/211184736.db2.gz CSCFBXAWMBBVJT-LYBHJNIJSA-N 0 0 366.852 4.358 50 30 FIEARN COc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1OC ZINC000016768426 211167557 /nfs/dbraw/zinc/16/75/57/211167557.db2.gz MJDZCUALLAUPBV-OCESRQBRSA-N 0 0 367.449 4.216 50 30 FIEARN CCOc1cc(/C=N/O)cc(Br)c1OCc1ccccc1F ZINC000016688706 211165944 /nfs/dbraw/zinc/16/59/44/211165944.db2.gz JDWRKXJQUHPWNI-DJKKODMXSA-N 0 0 368.202 4.374 50 30 FIEARN O=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1cccnc1 ZINC000015924275 211150935 /nfs/dbraw/zinc/15/09/35/211150935.db2.gz LAQVRMYBKDEGQT-CYVLTUHYSA-N 0 0 352.246 4.152 50 30 FIEARN CCc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)CCCC2 ZINC000015834508 211146222 /nfs/dbraw/zinc/14/62/22/211146222.db2.gz FFFYDRQGUXQAPI-UHFFFAOYSA-N 0 0 365.502 4.434 50 30 FIEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000015554132 211130547 /nfs/dbraw/zinc/13/05/47/211130547.db2.gz XRXRDSKZMSUUNO-BJMVGYQFSA-N 0 0 370.792 4.271 50 30 FIEARN N#Cc1c(COC(=O)Cc2ccc(Cl)cc2Cl)cn2ccccc12 ZINC000014858134 211102246 /nfs/dbraw/zinc/10/22/46/211102246.db2.gz HJOOLCDGJIWLAJ-UHFFFAOYSA-N 0 0 359.212 4.404 50 30 FIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013692719 211050186 /nfs/dbraw/zinc/05/01/86/211050186.db2.gz RWWFMUHJLLCQPP-SFHVURJKSA-N 0 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Cc1ccc(O)c(/N=C/c2cc(C)cc(I)c2O)c1 ZINC000001433535 210353582 /nfs/dbraw/zinc/35/35/82/210353582.db2.gz HJRGIGSOWOPHID-CAOOACKPSA-N 0 0 367.186 4.070 50 30 FIEARN Cc1ccc(C(=O)O/N=C2/c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000001403247 210349727 /nfs/dbraw/zinc/34/97/27/210349727.db2.gz MTHGOVWESKRBIB-ATJXCDBQSA-N 0 0 356.381 4.234 50 30 FIEARN N#Cc1ccc(F)c(CSCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000009954486 210341999 /nfs/dbraw/zinc/34/19/99/210341999.db2.gz JTIREVPXOMFWNT-UHFFFAOYSA-N 0 0 366.364 4.171 50 30 FIEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000001151892 210326024 /nfs/dbraw/zinc/32/60/24/210326024.db2.gz GCQGLTNAJOCVRX-RVDMUPIBSA-N 0 0 371.845 4.494 50 30 FIEARN CC(C)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(Br)c1 ZINC000001145560 210324768 /nfs/dbraw/zinc/32/47/68/210324768.db2.gz BPCDFHYOSXLOJN-UHFFFAOYSA-N 0 0 373.250 4.462 50 30 FIEARN COc1cccc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)c1 ZINC000001205709 210335489 /nfs/dbraw/zinc/33/54/89/210335489.db2.gz LHTGLUNBOKASMN-UHFFFAOYSA-N 0 0 350.447 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CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(OCC)cc1 ZINC000069374871 221325080 /nfs/dbraw/zinc/32/50/80/221325080.db2.gz XNWYKNFLUCKENO-UYAOXDASSA-N 0 0 370.470 4.466 50 30 FIEARN N#Cc1cccnc1N1CCN([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089773279 132200308 /nfs/dbraw/zinc/20/03/08/132200308.db2.gz JLCHMEJSIJJFFT-SFHVURJKSA-N 0 0 373.287 4.070 50 30 FIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 ZINC000096346648 132224910 /nfs/dbraw/zinc/22/49/10/132224910.db2.gz UQVAUVPNCAHIOZ-WOJBJXKFSA-N 0 0 370.456 4.144 50 30 FIEARN FC(F)(F)c1cccc(N2CCN(C(=S)NC3CCCC3)CC2)c1 ZINC000013483166 132306776 /nfs/dbraw/zinc/30/67/76/132306776.db2.gz QTSLOJNPZCUYHZ-UHFFFAOYSA-N 0 0 357.445 4.056 50 30 FIEARN Cc1ccc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000096766198 132377878 /nfs/dbraw/zinc/37/78/78/132377878.db2.gz WKUJRHIHUJUHOU-KHPPLWFESA-N 0 0 358.441 4.276 50 30 FIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1F ZINC000001079576 132379967 /nfs/dbraw/zinc/37/99/67/132379967.db2.gz 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CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1C ZINC000005145261 570590724 /nfs/dbraw/zinc/59/07/24/570590724.db2.gz WIIIIRLQNMGMJC-UHFFFAOYSA-N 0 0 354.840 4.072 50 30 FIEARN Cn1c2ccccc2c2nnc(N=NCc3c(Cl)cccc3Cl)nc21 ZINC000004619094 570597944 /nfs/dbraw/zinc/59/79/44/570597944.db2.gz SWTMSJGXBLVSDI-AWQFTUOYSA-N 0 0 371.231 4.269 50 30 FIEARN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000004664355 570599326 /nfs/dbraw/zinc/59/93/26/570599326.db2.gz ZTXLBTHMSAPYCW-KXNKKEQVSA-N 0 0 368.458 4.328 50 30 FIEARN C#CCOc1c(Cl)cc(C=NNc2nc3ccccc3[nH]2)cc1OCC ZINC000004678139 570600544 /nfs/dbraw/zinc/60/05/44/570600544.db2.gz LMWIITMALOHOGD-CIAFOILYSA-N 0 0 368.824 4.073 50 30 FIEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ncnn32)cc1 ZINC000004814169 570607851 /nfs/dbraw/zinc/60/78/51/570607851.db2.gz FHWOGXHJJVRSGD-KKSFZXQISA-N 0 0 374.419 4.141 50 30 FIEARN Oc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004975302 570615137 /nfs/dbraw/zinc/61/51/37/570615137.db2.gz 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/nfs/dbraw/zinc/74/25/96/570742596.db2.gz QLRBMYZYQJWRHA-CKZKCJOCSA-N 0 0 362.429 4.211 50 30 FIEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCc1cccs1 ZINC000032624516 570759516 /nfs/dbraw/zinc/75/95/16/570759516.db2.gz RDPCYQIXLQUCID-UHFFFAOYSA-N 0 0 359.838 4.495 50 30 FIEARN N#Cc1c(COC(=O)c2c3c(nc4ccccc42)CCC3)cn2ccccc12 ZINC000032682319 570770785 /nfs/dbraw/zinc/77/07/85/570770785.db2.gz JWSBJZYBHTWXIO-UHFFFAOYSA-N 0 0 367.408 4.205 50 30 FIEARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436324 570782559 /nfs/dbraw/zinc/78/25/59/570782559.db2.gz ANISLGPXRXUDRU-INIZCTEOSA-N 0 0 354.479 4.048 50 30 FIEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000004460332 570789457 /nfs/dbraw/zinc/78/94/57/570789457.db2.gz IDBABXOEYRFVAP-LZYBPNLTSA-N 0 0 364.155 4.325 50 30 FIEARN CN1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)OC(C)(C)C)C1 ZINC000004473675 570794727 /nfs/dbraw/zinc/79/47/27/570794727.db2.gz HUKRNPGDPUBKPZ-NHDPSOOVSA-N 0 0 372.490 4.148 50 30 FIEARN CCC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004485067 570797508 /nfs/dbraw/zinc/79/75/08/570797508.db2.gz OXDAQNQYAYQMBB-AWEZNQCLSA-N 0 0 366.490 4.065 50 30 FIEARN Cc1nc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000032887943 570835511 /nfs/dbraw/zinc/83/55/11/570835511.db2.gz JKUJOQKORAYGEK-GUYCJALGSA-N 0 0 367.518 4.279 50 30 FIEARN Ic1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004562325 570837352 /nfs/dbraw/zinc/83/73/52/570837352.db2.gz GTZMPIPALHNXNO-WOJGMQOQSA-N 0 0 373.197 4.285 50 30 FIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)c(C)c2)C1 ZINC000005235910 570855864 /nfs/dbraw/zinc/85/58/64/570855864.db2.gz MLLISNKAWRNISU-OAHLLOKOSA-N 0 0 363.848 4.152 50 30 FIEARN CC(=O)N1C/C(=C/c2sccc2C)C(=O)/C(=C\c2sccc2C)C1 ZINC000105037596 570866950 /nfs/dbraw/zinc/86/69/50/570866950.db2.gz RTRUVBWSNYDKHI-SRKDFGFSSA-N 0 0 357.500 4.325 50 30 FIEARN Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)sc1SCC#N ZINC000044789119 570899485 /nfs/dbraw/zinc/89/94/85/570899485.db2.gz 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/nfs/dbraw/zinc/92/81/36/570928136.db2.gz KWJBSTSWUZXSAZ-INIZCTEOSA-N 0 0 371.868 4.025 50 30 FIEARN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccsc2)cc1C ZINC000048309246 570943135 /nfs/dbraw/zinc/94/31/35/570943135.db2.gz CFVGIFAZOANBOI-FQEVSTJZSA-N 0 0 367.518 4.449 50 30 FIEARN CC(=O)NC1(C(N)=NOCc2c(Cl)cccc2Cl)CCCCCC1 ZINC000048303401 570943404 /nfs/dbraw/zinc/94/34/04/570943404.db2.gz YKRJPQKEVCUJRX-UHFFFAOYSA-N 0 0 372.296 4.011 50 30 FIEARN Cc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c(C)n1-c1cccc(F)c1 ZINC000049406731 570962537 /nfs/dbraw/zinc/96/25/37/570962537.db2.gz MQNPMPKAXIMCPD-LJQANCHMSA-N 0 0 362.408 4.130 50 30 FIEARN C#CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC1CCCC1 ZINC000072268183 571011591 /nfs/dbraw/zinc/01/15/91/571011591.db2.gz LBAAPUAVDGQXRM-MRXNPFEDSA-N 0 0 358.507 4.367 50 30 FIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1 ZINC000008324492 571039978 /nfs/dbraw/zinc/03/99/78/571039978.db2.gz QKSVEOMAQVIEDZ-CYBMUJFWSA-N 0 0 373.547 4.409 50 30 FIEARN CSc1ccc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000008403112 571045528 /nfs/dbraw/zinc/04/55/28/571045528.db2.gz ZWTVMBBMQUFCPI-UHFFFAOYSA-N 0 0 352.415 4.329 50 30 FIEARN CN(C(=O)CNc1ccc2c(c1)Cc1ccccc1-2)C1(C#N)CCCCC1 ZINC000083843840 571051969 /nfs/dbraw/zinc/05/19/69/571051969.db2.gz UZZXPEHLVFWGOZ-UHFFFAOYSA-N 0 0 359.473 4.355 50 30 FIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000008680349 571054503 /nfs/dbraw/zinc/05/45/03/571054503.db2.gz HJAPPEFKKZIBFA-MRXNPFEDSA-N 0 0 360.483 4.142 50 30 FIEARN C=CCOc1cc(C(=O)NCCCc2cccc(F)c2)cc2occc21 ZINC000223276959 571071651 /nfs/dbraw/zinc/07/16/51/571071651.db2.gz ASCWZNBEPJNZBN-UHFFFAOYSA-N 0 0 353.393 4.499 50 30 FIEARN Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)n1 ZINC000009086509 571095309 /nfs/dbraw/zinc/09/53/09/571095309.db2.gz FFUIWDWZESKEQO-CYBMUJFWSA-N 0 0 366.273 4.159 50 30 FIEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 ZINC000033011115 571098908 /nfs/dbraw/zinc/09/89/08/571098908.db2.gz 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/nfs/dbraw/zinc/14/67/04/571146704.db2.gz IFPJSZIXKJUGBJ-CQSZACIVSA-N 0 0 370.449 4.095 50 30 FIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1 ZINC000007712945 571162473 /nfs/dbraw/zinc/16/24/73/571162473.db2.gz OGIBUCKRMUKDJE-RIYZIHGNSA-N 0 0 359.425 4.203 50 30 FIEARN O=C(/C=C/c1cccc(F)c1)c1ccc(I)cc1 ZINC000006224940 571167217 /nfs/dbraw/zinc/16/72/17/571167217.db2.gz LIYFXRLXHMGXSQ-RUDMXATFSA-N 0 0 352.146 4.326 50 30 FIEARN CC(C)Sc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 ZINC000012520344 571173862 /nfs/dbraw/zinc/17/38/62/571173862.db2.gz HLZOHDLTSAPNER-UHFFFAOYSA-N 0 0 350.447 4.047 50 30 FIEARN COc1ccc(CNC(=O)Nc2ccc(Oc3ncccc3C#N)cc2)cc1 ZINC000012546011 571178201 /nfs/dbraw/zinc/17/82/01/571178201.db2.gz AGTNVHLZMRYNHK-UHFFFAOYSA-N 0 0 374.400 4.076 50 30 FIEARN C=CCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000044030262 571180239 /nfs/dbraw/zinc/18/02/39/571180239.db2.gz HMADEKQFBGWBNC-UHFFFAOYSA-N 0 0 366.490 4.155 50 30 FIEARN CCn1ncc(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)c1C 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COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)cc(OC)c1OC ZINC000006641366 571238567 /nfs/dbraw/zinc/23/85/67/571238567.db2.gz JUNUZQZFMFVYDC-WJDWOHSUSA-N 0 0 370.430 4.444 50 30 FIEARN O=C1ON(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000006720872 571243539 /nfs/dbraw/zinc/24/35/39/571243539.db2.gz WOWUONLGOBCWOE-FQEVSTJZSA-N 0 0 360.369 4.492 50 30 FIEARN CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611491 571257768 /nfs/dbraw/zinc/25/77/68/571257768.db2.gz MNOPZGHUKDMRKW-GIJQJNRQSA-N 0 0 362.842 4.016 50 30 FIEARN S=C1N=NC(c2cccs2)N1N=Cc1cc(Br)cs1 ZINC000036611484 571257806 /nfs/dbraw/zinc/25/78/06/571257806.db2.gz PZWYBSDQVRUTMT-WLRTZDKTSA-N 0 0 371.310 4.002 50 30 FIEARN Cc1c([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc(C#N)n1C ZINC000007087889 571260528 /nfs/dbraw/zinc/26/05/28/571260528.db2.gz JLUYEBANQAXBOW-JOCHJYFZSA-N 0 0 370.456 4.014 50 30 FIEARN Cn1c(SCCCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000007236003 571263362 /nfs/dbraw/zinc/26/33/62/571263362.db2.gz JFUUSCXWWWHCOA-UHFFFAOYSA-N 0 0 359.451 4.197 50 30 FIEARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000007265112 571263551 /nfs/dbraw/zinc/26/35/51/571263551.db2.gz YBSXIOBKAHYSCZ-UHFFFAOYSA-N 0 0 371.396 4.071 50 30 FIEARN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007280286 571264097 /nfs/dbraw/zinc/26/40/97/571264097.db2.gz USEYKNGKIPFXKM-OAQYLSRUSA-N 0 0 354.409 4.479 50 30 FIEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000007712425 571276910 /nfs/dbraw/zinc/27/69/10/571276910.db2.gz OLKVYMIQANLRGH-UDWIEESQSA-N 0 0 356.426 4.044 50 30 FIEARN COc1cc(C=Nc2ccc(C)c(Br)c2)ccc1OC(C)=O ZINC000252460894 571278986 /nfs/dbraw/zinc/27/89/86/571278986.db2.gz IXPHSXJESQPOGD-UHFFFAOYSA-N 0 0 362.223 4.442 50 30 FIEARN COCCN1C(=O)/C(=C\c2sccc2C)SC1=Nc1ccccc1 ZINC000252605129 571284709 /nfs/dbraw/zinc/28/47/09/571284709.db2.gz GGDAMOAVXMTWGB-UXXGDZGPSA-N 0 0 358.488 4.307 50 30 FIEARN COCCN1C(=O)/C(=C/c2sccc2C)SC1=Nc1ccccc1 ZINC000252605130 571284892 /nfs/dbraw/zinc/28/48/92/571284892.db2.gz 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/nfs/dbraw/zinc/28/95/36/571289536.db2.gz URPPYLVUGSBNLO-RYBWPTGJSA-N 0 0 368.458 4.251 50 30 FIEARN Cc1sc2nc(C)n(N=Cc3c(O)ccc4ccccc43)c(=O)c2c1C ZINC000252639547 571291672 /nfs/dbraw/zinc/29/16/72/571291672.db2.gz YLPJSHISPBWKID-UHFFFAOYSA-N 0 0 363.442 4.124 50 30 FIEARN N#Cc1ccccc1C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000077303460 571320995 /nfs/dbraw/zinc/32/09/95/571320995.db2.gz FHIRHFMNDQCJOK-UHFFFAOYSA-N 0 0 374.419 4.107 50 30 FIEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000055190319 571321196 /nfs/dbraw/zinc/32/11/96/571321196.db2.gz QRJLQDRKHPOTRV-UAGSDZEYSA-N 0 0 369.468 4.454 50 30 FIEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1 ZINC000012663006 571322643 /nfs/dbraw/zinc/32/26/43/571322643.db2.gz BGZKBPHFNBIPRG-ODLFYWEKSA-N 0 0 362.337 4.124 50 30 biogenic FIEARN C#C[C@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000328589311 571323487 /nfs/dbraw/zinc/32/34/87/571323487.db2.gz BIEZYZJOOMZBFF-AWEZNQCLSA-N 0 0 358.463 4.098 50 30 FIEARN CCn1ccnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000095953389 571332776 /nfs/dbraw/zinc/33/27/76/571332776.db2.gz ICWKNWRHAGXNIN-CYBMUJFWSA-N 0 0 360.508 4.028 50 30 FIEARN Cn1c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2nc1C(C)(C)C ZINC000333613496 571335783 /nfs/dbraw/zinc/33/57/83/571335783.db2.gz XEDYMZOPGBZNEV-OAQYLSRUSA-N 0 0 350.466 4.283 50 30 FIEARN C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000002617326 571339240 /nfs/dbraw/zinc/33/92/40/571339240.db2.gz QQHUDYLZNQFGLZ-JTQLQIEISA-N 0 0 363.200 4.049 50 30 FIEARN N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000002639922 571339881 /nfs/dbraw/zinc/33/98/81/571339881.db2.gz YMZDBQHIIKLIGV-OAQYLSRUSA-N 0 0 369.424 4.058 50 30 FIEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000057523278 571344187 /nfs/dbraw/zinc/34/41/87/571344187.db2.gz RYGUWZMMBCHURP-KRWDZBQOSA-N 0 0 360.413 4.178 50 30 FIEARN C=CCSc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1 ZINC000003407507 571349173 /nfs/dbraw/zinc/34/91/73/571349173.db2.gz 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ZINC000331794854 1091390122 /nfs/dbraw/zinc/39/01/22/1091390122.db2.gz VXXUJZCFRLRGEU-ZDUSSCGKSA-N 0 0 368.506 4.411 50 30 FIEARN N#CC1(C#N)C2=C(C(=O)CCC2)C(=O)C[C@H]1c1ccc(Br)cc1 ZINC000108258041 1093885322 /nfs/dbraw/zinc/88/53/22/1093885322.db2.gz FRBPXBZZBCDFNC-AWEZNQCLSA-N 0 0 369.218 4.071 50 30 FIEARN COc1ccc2c(c1)[C@H](C(=O)N(CC#N)c1ccc(Cl)cc1)CCC2 ZINC000594053939 1095050336 /nfs/dbraw/zinc/05/03/36/1095050336.db2.gz SGUOSBJYYRDNTH-GOSISDBHSA-N 0 0 354.837 4.325 50 30 FIEARN CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@](C)(CC[C@]2(C)[Si](C)(C)C)C1=O ZINC000169834272 1095875680 /nfs/dbraw/zinc/87/56/80/1095875680.db2.gz ZTBUBWAIEKAZJG-FHWLQOOXSA-N 0 0 354.563 4.260 50 30 FIEARN CCN(CC)c1ccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000004046937 1102632471 /nfs/dbraw/zinc/63/24/71/1102632471.db2.gz DXCJPZITOPFBQF-LPYMAVHISA-N 0 0 355.507 4.323 50 30 FIEARN COc1cc(C(C)=NNc2nc3ccccc3n2C)ccc1OC(F)F ZINC000263629194 1103100945 /nfs/dbraw/zinc/10/09/45/1103100945.db2.gz QTKDFKZDGYNCKV-UHFFFAOYSA-N 0 0 360.364 4.019 50 30 FIEARN N#Cc1ccc(/C=C2\CCOc3cc(Br)ccc3C2=O)cc1 ZINC000082077340 1113256621 /nfs/dbraw/zinc/25/66/21/1113256621.db2.gz GSNRBHHYVGCSRV-NTEUORMPSA-N 0 0 354.203 4.370 50 30 FIEARN COc1cc(/C=C/C(=O)c2sc(C)nc2C)cc(OC)c1OC(F)F ZINC000032831722 1121497992 /nfs/dbraw/zinc/49/79/92/1121497992.db2.gz YNVHZBDATXWJEH-AATRIKPKSA-N 0 0 369.389 4.275 50 30 FIEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1OC ZINC000000712081 210264158 /nfs/dbraw/zinc/26/41/58/210264158.db2.gz FNZKAEWFRDWAKH-SRZZPIQSSA-N 0 0 356.447 4.275 50 30 FIEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000709931 210264018 /nfs/dbraw/zinc/26/40/18/210264018.db2.gz GZNGAPVLRSUKMU-OAQYLSRUSA-N 0 0 369.461 4.432 50 30 FIEARN O=C1C=C(c2ccc(OCc3ccccc3)cc2)C(=O)C=C1Br ZINC000000692257 210262814 /nfs/dbraw/zinc/26/28/14/210262814.db2.gz FIZWIPYJEXVRQR-UHFFFAOYSA-N 0 0 369.214 4.080 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000000654782 210257543 /nfs/dbraw/zinc/25/75/43/210257543.db2.gz XDBXAJKKOZZJCE-KRWDZBQOSA-N 0 0 365.816 4.081 50 30 FIEARN CC(C)c1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1 ZINC000000639340 210255399 /nfs/dbraw/zinc/25/53/99/210255399.db2.gz JPTXQOQBJXXSJB-UHFFFAOYSA-N 0 0 373.250 4.462 50 30 FIEARN CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000000626174 210252175 /nfs/dbraw/zinc/25/21/75/210252175.db2.gz VGGUFFLOPBGDJY-SFHVURJKSA-N 0 0 367.420 4.337 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009089490 210250240 /nfs/dbraw/zinc/25/02/40/210250240.db2.gz MFCQEJZXBBIFNH-IBGZPJMESA-N 0 0 374.371 4.004 50 30 FIEARN COc1ccc2c(c1)C(=O)/C(=C/c1c(C)nn(CC(C)C)c1Cl)CO2 ZINC000096248634 210238786 /nfs/dbraw/zinc/23/87/86/210238786.db2.gz CZYQZBXTBJCDHI-NTUHNPAUSA-N 0 0 360.841 4.168 50 30 FIEARN CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 ZINC000009576570 210230783 /nfs/dbraw/zinc/23/07/83/210230783.db2.gz HFJGPKNLEKMGEY-ODLFYWEKSA-N 0 0 352.386 4.263 50 30 biogenic FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)o1 ZINC000005338792 210229055 /nfs/dbraw/zinc/22/90/55/210229055.db2.gz XDIFVRQXTINFOC-GJUHEBOISA-N 0 0 353.418 4.142 50 30 biogenic FIEARN C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2C[C@H]1CCCCO1 ZINC000035927831 210171094 /nfs/dbraw/zinc/17/10/94/210171094.db2.gz PQMHVILBCVDIRV-IAGOWNOFSA-N 0 0 370.493 4.304 50 30 FIEARN C=CCN(C(=O)Cc1c(C)noc1C)c1nc(-c2ccccc2)cs1 ZINC000019627973 210155981 /nfs/dbraw/zinc/15/59/81/210155981.db2.gz JSDOZYYQZRZUGA-UHFFFAOYSA-N 0 0 353.447 4.177 50 30 FIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@@H](C(C)C)OC3 ZINC000002273939 210151172 /nfs/dbraw/zinc/15/11/72/210151172.db2.gz NMSUPBGQPYEVRN-ZDUSSCGKSA-N 0 0 362.520 4.019 50 30 FIEARN C#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002239979 210149847 /nfs/dbraw/zinc/14/98/47/210149847.db2.gz FFWFOALDARYMCW-UHFFFAOYSA-N 0 0 352.484 4.051 50 30 FIEARN C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 ZINC000002198633 210149872 /nfs/dbraw/zinc/14/98/72/210149872.db2.gz BNMKXNQAAPYXMD-UHFFFAOYSA-N 0 0 363.486 4.246 50 30 FIEARN C[C@](O)(C#Cc1ccccc1)c1ccc([C@@](C)(O)C#Cc2ccccc2)cc1 ZINC000002202210 210149885 /nfs/dbraw/zinc/14/98/85/210149885.db2.gz JJWICWWJUHELCN-UIOOFZCWSA-N 0 0 366.460 4.205 50 30 FIEARN C=CCn1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 ZINC000001176619 210148862 /nfs/dbraw/zinc/14/88/62/210148862.db2.gz ADYGUJJOFNRFFF-UHFFFAOYSA-N 0 0 353.418 4.073 50 30 FIEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012536760 210142834 /nfs/dbraw/zinc/14/28/34/210142834.db2.gz PFVBLODOHUZHII-ACCUITESSA-N 0 0 369.380 4.042 50 30 FIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000012652859 210142044 /nfs/dbraw/zinc/14/20/44/210142044.db2.gz RPGMPEIFNIZHQU-IBGZPJMESA-N 0 0 363.392 4.194 50 30 FIEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000012342675 210140841 /nfs/dbraw/zinc/14/08/41/210140841.db2.gz SHXVMUKLMSTPEN-LDADJPATSA-N 0 0 367.401 4.074 50 30 FIEARN C=C(C)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O ZINC000012324726 210139900 /nfs/dbraw/zinc/13/99/00/210139900.db2.gz STYMLNUYHIHSJW-UHFFFAOYSA-N 0 0 357.413 4.270 50 30 FIEARN C=CCn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O ZINC000012324952 210138910 /nfs/dbraw/zinc/13/89/10/210138910.db2.gz GWADZJMFPWIIAB-UHFFFAOYSA-N 0 0 357.413 4.270 50 30 FIEARN C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2[C@@H](C)CC)cs1 ZINC000007981932 210135598 /nfs/dbraw/zinc/13/55/98/210135598.db2.gz ZENJVZIEGXYLJG-ZDUSSCGKSA-N 0 0 373.478 4.050 50 30 FIEARN C#CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000008570441 210134350 /nfs/dbraw/zinc/13/43/50/210134350.db2.gz IUGHXMPTVFQYPT-UHFFFAOYSA-N 0 0 364.626 4.367 50 30 FIEARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C#Cc1ccccc1 ZINC000006735087 210108920 /nfs/dbraw/zinc/10/89/20/210108920.db2.gz ZXDMTGIXHDAGRL-UHFFFAOYSA-N 0 0 361.422 4.192 50 30 FIEARN C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(CC)cc2)SC1=S ZINC000006606237 210108516 /nfs/dbraw/zinc/10/85/16/210108516.db2.gz DJIBTECHDHVPMU-XNTDXEJSSA-N 0 0 355.488 4.026 50 30 FIEARN C=CCn1c2ncn(Cc3c(F)cccc3Cl)c(=O)c2sc1=S ZINC000006589963 210108449 /nfs/dbraw/zinc/10/84/49/210108449.db2.gz ZLJIIIUCHUIOBZ-UHFFFAOYSA-N 0 0 367.858 4.016 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccs1 ZINC000225508764 222846744 /nfs/dbraw/zinc/84/67/44/222846744.db2.gz WQPGCGXUGIAVMW-DNVCBOLYSA-N 0 0 356.443 4.076 50 30 FIEARN C=CCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC ZINC000002938964 219476541 /nfs/dbraw/zinc/47/65/41/219476541.db2.gz KDUOQKLZUVILRQ-UHFFFAOYSA-N 0 0 364.397 4.130 50 30 FIEARN C=CCSc1nnc([C@H](C)c2ncc(C(F)(F)F)cc2Cl)n1C ZINC000003134797 219487758 /nfs/dbraw/zinc/48/77/58/219487758.db2.gz UTQPTSCBCSUSGA-MRVPVSSYSA-N 0 0 362.808 4.312 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)C3=Cc4ccccc4OC3)sc2C1 ZINC000061198024 212023726 /nfs/dbraw/zinc/02/37/26/212023726.db2.gz ZPYBVTVQVBUCMP-LBPRGKRZSA-N 0 0 350.443 4.159 50 30 FIEARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012787607 220030417 /nfs/dbraw/zinc/03/04/17/220030417.db2.gz SWEIQAZTUPNKAG-UHFFFAOYSA-N 0 0 363.200 4.085 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000012894657 220039749 /nfs/dbraw/zinc/03/97/49/220039749.db2.gz OGOLMCGKOJAPQV-GFCCVEGCSA-N 0 0 353.809 4.395 50 30 FIEARN CC(C)(C)C(=O)N1CCC(=NOCc2c(Cl)ccc3cccnc32)CC1 ZINC000054209831 211926607 /nfs/dbraw/zinc/92/66/07/211926607.db2.gz JFENFKDITAITEB-UHFFFAOYSA-N 0 0 373.884 4.429 50 30 FIEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1csc2c1CCCC2 ZINC000012934781 220045230 /nfs/dbraw/zinc/04/52/30/220045230.db2.gz YGJDWVMBZDZEES-UHFFFAOYSA-N 0 0 363.404 4.427 50 30 FIEARN N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000048290494 211866785 /nfs/dbraw/zinc/86/67/85/211866785.db2.gz VIQUDSXAFXSQRK-UHFFFAOYSA-N 0 0 359.357 4.124 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cccc2cccnc21 ZINC000029888157 211519153 /nfs/dbraw/zinc/51/91/53/211519153.db2.gz XEOLBKGDJPUGGH-UHFFFAOYSA-N 0 0 357.369 4.156 50 30 FIEARN Cc1ccccc1-c1nnn(Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000022409593 211350230 /nfs/dbraw/zinc/35/02/30/211350230.db2.gz ODHXFXTWACXUEA-UHFFFAOYSA-N 0 0 351.413 4.236 50 30 FIEARN O=C(CN1CCSCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020458995 211281173 /nfs/dbraw/zinc/28/11/73/211281173.db2.gz VRKBQJHXUXNPSQ-UHFFFAOYSA-N 0 0 353.900 4.100 50 30 FIEARN O=C1/C(=C/c2cccnc2)CN(Cc2ccccc2)C/C1=C/c1cccnc1 ZINC000020115282 211269011 /nfs/dbraw/zinc/26/90/11/211269011.db2.gz BQPHBZVVTSOOSV-SEKXJNOLSA-N 0 0 367.452 4.029 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C ZINC000019535471 211230783 /nfs/dbraw/zinc/23/07/83/211230783.db2.gz XYYVUIYOOVGQSV-FQEVSTJZSA-N 0 0 369.461 4.005 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000019313809 211214949 /nfs/dbraw/zinc/21/49/49/211214949.db2.gz MEDLNZLUJOFGRS-XMSQKQJNSA-N 0 0 373.452 4.221 50 30 FIEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1 ZINC000018254945 211197773 /nfs/dbraw/zinc/19/77/73/211197773.db2.gz DVFYUKYAOZHPCN-YBEGLDIGSA-N 0 0 358.850 4.500 50 30 FIEARN Cc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000017440327 211186565 /nfs/dbraw/zinc/18/65/65/211186565.db2.gz UIRXQVIBEMDDOS-UHFFFAOYSA-N 0 0 370.836 4.028 50 30 FIEARN CN(C)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196809 211194620 /nfs/dbraw/zinc/19/46/20/211194620.db2.gz RNFMITJIPBGIKI-NRFANRHFSA-N 0 0 362.429 4.046 50 30 FIEARN Cc1ccc(S(=O)(=O)N=C(NC2CCCCC2)c2ccccc2)cc1 ZINC000018167446 211193831 /nfs/dbraw/zinc/19/38/31/211193831.db2.gz QQGWTKMTUUVXOA-UHFFFAOYSA-N 0 0 356.491 4.053 50 30 FIEARN Cc1ccc2c(C)nc(NC(=N)NC(=O)Cc3ccc(Cl)cc3)nc2c1 ZINC000016995623 211176423 /nfs/dbraw/zinc/17/64/23/211176423.db2.gz INZNPXHWACTNAT-UHFFFAOYSA-N 0 0 367.840 4.446 50 30 in-vitro FIEARN CCOc1ccc(/N=C2/SCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000016684089 211166351 /nfs/dbraw/zinc/16/63/51/211166351.db2.gz PSDUEIUAOUOVNC-FMQUCBEESA-N 0 0 356.447 4.252 50 30 FIEARN N#Cc1ccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000015291202 211126303 /nfs/dbraw/zinc/12/63/03/211126303.db2.gz WDRQQAGCBQDYGP-UHFFFAOYSA-N 0 0 369.468 4.309 50 30 FIEARN N#Cc1ccccc1-c1ccc(CN2C(=O)CC3(CCCCC3)C2=O)cc1 ZINC000014187295 211083722 /nfs/dbraw/zinc/08/37/22/211083722.db2.gz SGLWQNJJLLKASF-UHFFFAOYSA-N 0 0 358.441 4.435 50 30 FIEARN N#Cc1c(COC(=O)c2csc(-c3ccsc3)n2)cn2ccccc12 ZINC000014183566 211082562 /nfs/dbraw/zinc/08/25/62/211082562.db2.gz DLPMPKHCTVJORC-UHFFFAOYSA-N 0 0 365.439 4.353 50 30 FIEARN COc1ccc(CNc2nnc(SCc3ccccc3C#N)s2)cc1 ZINC000014134724 211075563 /nfs/dbraw/zinc/07/55/63/211075563.db2.gz AKXDLNVBGSXIPR-UHFFFAOYSA-N 0 0 368.487 4.323 50 30 FIEARN Cc1sc2[nH]c([C@@H](C)SCc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000014084198 211071572 /nfs/dbraw/zinc/07/15/72/211071572.db2.gz QOZNCRYPSHSOHE-GFCCVEGCSA-N 0 0 355.488 4.468 50 30 FIEARN CSc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000013633110 211045033 /nfs/dbraw/zinc/04/50/33/211045033.db2.gz VSPYOMHNIGPCBZ-KGENOOAVSA-N 0 0 359.926 4.214 50 30 FIEARN COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000013496617 211037751 /nfs/dbraw/zinc/03/77/51/211037751.db2.gz CKMFSEFIICIERE-NMWGTECJSA-N 0 0 362.429 4.377 50 30 FIEARN CC(N=NC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC000013469871 211033678 /nfs/dbraw/zinc/03/36/78/211033678.db2.gz ZAKRNKMZQWVQEU-UFWORHAWSA-N 0 0 355.250 4.149 50 30 FIEARN Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013122301 211024144 /nfs/dbraw/zinc/02/41/44/211024144.db2.gz QHXQDXOZJMKXER-SFHVURJKSA-N 0 0 351.450 4.250 50 30 FIEARN N#Cc1c(COC(=O)c2cc(Cl)cc(Cl)c2N)cn2ccccc12 ZINC000013012367 211021239 /nfs/dbraw/zinc/02/12/39/211021239.db2.gz YGNKLEDGYMRFCW-UHFFFAOYSA-N 0 0 360.200 4.057 50 30 FIEARN N#Cc1cccc(/C=C2\CCOc3ccc(Br)cc3C2=O)c1 ZINC000013017064 211019900 /nfs/dbraw/zinc/01/99/00/211019900.db2.gz OZXYSLHIJCJODL-NTEUORMPSA-N 0 0 354.203 4.370 50 30 FIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012981746 211016095 /nfs/dbraw/zinc/01/60/95/211016095.db2.gz LZHFHJXLYQOAMV-QRWLVFNGSA-N 0 0 362.454 4.293 50 30 FIEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccccc1 ZINC000012524210 210965370 /nfs/dbraw/zinc/96/53/70/210965370.db2.gz NIMNLLIEQSFNSB-BDTNDASRSA-N 0 0 365.436 4.067 50 30 FIEARN CC(C)c1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347580 210945879 /nfs/dbraw/zinc/94/58/79/210945879.db2.gz WEDOSOKPIVSJKO-INIZCTEOSA-N 0 0 351.450 4.439 50 30 FIEARN CSc1nc2n(n1)[C@@H](c1cccc3ccccc31)C1C(=O)CCCC1=N2 ZINC000008488459 210788121 /nfs/dbraw/zinc/78/81/21/210788121.db2.gz IILYXPYSSRCDEU-SFHVURJKSA-N 0 0 362.458 4.175 50 30 FIEARN O=C1C[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819525 210706774 /nfs/dbraw/zinc/70/67/74/210706774.db2.gz XXPJQOJDEVEDEU-HOCLYGCPSA-N 0 0 351.833 4.344 50 30 FIEARN CNC(=S)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000005688904 210635131 /nfs/dbraw/zinc/63/51/31/210635131.db2.gz XRBFZUAQWBIEEZ-OAHLLOKOSA-N 0 0 372.475 4.161 50 30 FIEARN Cc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(F)cc3)CC2=Nc2ncnn21 ZINC000004782825 210563225 /nfs/dbraw/zinc/56/32/25/210563225.db2.gz OYYMJMKWGYHMLF-VFNWGFHPSA-N 0 0 374.419 4.141 50 30 FIEARN N#Cc1c2nc3ccccc3n2c(NCc2ccccn2)c2c1CCCC2 ZINC000004170425 210512904 /nfs/dbraw/zinc/51/29/04/210512904.db2.gz MWJFXWRUCLDVCS-UHFFFAOYSA-N 0 0 353.429 4.245 50 30 FIEARN COC(=O)CSc1nc(-c2cccc(C)c2)c2c(c1C#N)CCCC2 ZINC000004052159 210506224 /nfs/dbraw/zinc/50/62/24/210506224.db2.gz YWOLKPDDYNYWKZ-UHFFFAOYSA-N 0 0 352.459 4.073 50 30 FIEARN COc1ccc(OC)c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000004017675 210504734 /nfs/dbraw/zinc/50/47/34/210504734.db2.gz IZRCROACAXZJNA-RQZCQDPDSA-N 0 0 365.183 4.125 50 30 FIEARN CN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O ZINC000004009250 210501906 /nfs/dbraw/zinc/50/19/06/210501906.db2.gz GPGODZUAJFJQAG-OAHLLOKOSA-N 0 0 352.356 4.045 50 30 FIEARN COc1cc(OC)c(C=Nc2cccc(C(C)=O)c2)cc1Br ZINC000003152277 210453121 /nfs/dbraw/zinc/45/31/21/210453121.db2.gz ZZPSNDAOUXYNFO-VXLYETTFSA-N 0 0 362.223 4.420 50 30 FIEARN CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1[C@H](C)c1ccccc1 ZINC000002277877 210389048 /nfs/dbraw/zinc/38/90/48/210389048.db2.gz JCCSEKPIOMAARE-CQSZACIVSA-N 0 0 369.428 4.414 50 30 FIEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000002276420 210388357 /nfs/dbraw/zinc/38/83/57/210388357.db2.gz LSPXVQZWGIOBAR-FKTOWYLZSA-N 0 0 370.865 4.443 50 30 FIEARN CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1 ZINC000002286646 210388252 /nfs/dbraw/zinc/38/82/52/210388252.db2.gz SNLUPQMAEHWVGD-HYARGMPZSA-N 0 0 363.417 4.474 50 30 FIEARN Cc1ccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c(C)c1 ZINC000002270273 210388041 /nfs/dbraw/zinc/38/80/41/210388041.db2.gz QBWAJGUSEYPVLB-UHFFFAOYSA-N 0 0 373.460 4.240 50 30 FIEARN CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1 ZINC000002376173 210395564 /nfs/dbraw/zinc/39/55/64/210395564.db2.gz CXYBCMWLQRVUSX-UHFFFAOYSA-N 0 0 355.401 4.102 50 30 FIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000002069358 210378380 /nfs/dbraw/zinc/37/83/80/210378380.db2.gz KTBFGJQJKHXOEK-GOSISDBHSA-N 0 0 357.837 4.037 50 30 FIEARN COc1ccc(CCNc2oc(COc3ccc(C)cc3)nc2C#N)cc1 ZINC000002204656 210383119 /nfs/dbraw/zinc/38/31/19/210383119.db2.gz GOZSUKLKFOEVCJ-UHFFFAOYSA-N 0 0 363.417 4.097 50 30 FIEARN O=C(c1ccccc1)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21 ZINC000001625326 210362248 /nfs/dbraw/zinc/36/22/48/210362248.db2.gz RGLSDDNPRPVLMO-UHFFFAOYSA-N 0 0 353.377 4.136 50 30 FIEARN CN(C)N1C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C2=C1CC(C)(C)CC2=O ZINC000001429999 210353510 /nfs/dbraw/zinc/35/35/10/210353510.db2.gz FPBPENHSQKDPRT-KRWDZBQOSA-N 0 0 368.521 4.420 50 30 FIEARN O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1cccc([N+](=O)[O-])c1 ZINC000001386788 210348610 /nfs/dbraw/zinc/34/86/10/210348610.db2.gz HQEQTVHLOZAUIZ-CAOOACKPSA-N 0 0 354.149 4.484 50 30 FIEARN CCC(=O)Nc1ccc(Sc2cc(C(F)(F)F)cnc2C#N)cc1 ZINC000001388044 210348105 /nfs/dbraw/zinc/34/81/05/210348105.db2.gz UUWRACIEXQDZRR-UHFFFAOYSA-N 0 0 351.353 4.472 50 30 FIEARN CC(C)c1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001296931 210341583 /nfs/dbraw/zinc/34/15/83/210341583.db2.gz YKFANCKKNZPYDU-UDWIEESQSA-N 0 0 352.463 4.151 50 30 FIEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000001169147 210328492 /nfs/dbraw/zinc/32/84/92/210328492.db2.gz VIURNWKJBJKPEJ-OAQYLSRUSA-N 0 0 350.418 4.290 50 30 FIEARN O=C1CSC(=S)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001153976 210326011 /nfs/dbraw/zinc/32/60/11/210326011.db2.gz WFDUCQMIZYPTRU-UBKPWBPPSA-N 0 0 371.270 4.448 50 30 FIEARN CCN(Cc1ccccc1)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N ZINC000001079404 210314430 /nfs/dbraw/zinc/31/44/30/210314430.db2.gz UYGMENFYURFJPE-UHFFFAOYSA-N 0 0 373.909 4.364 50 30 FIEARN Cc1c(C#N)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc1C(=O)OC(C)C ZINC000000994519 210299948 /nfs/dbraw/zinc/29/99/48/210299948.db2.gz UUVBPUBIBLYNNT-LSDHHAIUSA-N 0 0 368.458 4.236 50 30 FIEARN O=C1CCCC2=C1[C@H](c1ccc(O)c(O)c1)Nc1ccc3ncccc3c12 ZINC000000870011 210285007 /nfs/dbraw/zinc/28/50/07/210285007.db2.gz 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FIEARN CCCCOc1ccccc1/C=C1\C(=O)ON=C1c1cccc([N+](=O)[O-])c1 ZINC000252498452 520910861 /nfs/dbraw/zinc/91/08/61/520910861.db2.gz RCKROTMWAPWCSF-LGMDPLHJSA-N 0 0 366.373 4.118 50 30 FIEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005967412 521033315 /nfs/dbraw/zinc/03/33/15/521033315.db2.gz QZXHDOCSDPLDLA-HIPMGEKLSA-N 0 0 372.804 4.287 50 30 FIEARN COc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1Cl ZINC000018125393 521962743 /nfs/dbraw/zinc/96/27/43/521962743.db2.gz AIHILTZJZOJVPC-DHDCSXOGSA-N 0 0 357.793 4.244 50 30 FIEARN COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)ccc1O ZINC000008322740 522049881 /nfs/dbraw/zinc/04/98/81/522049881.db2.gz MSTSMYKFPSDUAA-PKNBQFBNSA-N 0 0 368.820 4.444 50 30 FIEARN CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000040161844 522406679 /nfs/dbraw/zinc/40/66/79/522406679.db2.gz GJPPGKXWKUDACK-UHFFFAOYSA-N 0 0 353.388 4.320 50 30 FIEARN CN(CC(=O)NC1(C#N)CCCCCC1)Cc1cccc(Cl)c1Cl ZINC000032906711 522461930 /nfs/dbraw/zinc/46/19/30/522461930.db2.gz 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571135175 /nfs/dbraw/zinc/13/51/75/571135175.db2.gz NEHLFXLABLVVMW-UHFFFAOYSA-N 0 0 351.284 4.020 50 30 FIEARN CC/N=C1/S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C1CCCCCC1 ZINC000075245322 571158295 /nfs/dbraw/zinc/15/82/95/571158295.db2.gz KXYWNIRPERNFKC-RORWIDQYSA-N 0 0 374.506 4.416 50 30 FIEARN N#CCSCC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000033163576 571160756 /nfs/dbraw/zinc/16/07/56/571160756.db2.gz JFZJJDBKIUNJDN-UHFFFAOYSA-N 0 0 372.400 4.294 50 30 FIEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@]4(C)CC(=O)[C@H]32)C1 ZINC000257356568 571163716 /nfs/dbraw/zinc/16/37/16/571163716.db2.gz JAZBMNIJZWDVQJ-DCVKFYAHSA-N 0 0 372.505 4.265 50 30 FIEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@]4(C)CC(=O)[C@@H]32)C1 ZINC000257356571 571163750 /nfs/dbraw/zinc/16/37/50/571163750.db2.gz JAZBMNIJZWDVQJ-XHDPOSSNSA-N 0 0 372.505 4.265 50 30 FIEARN C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000257357512 571163780 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CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(OC)c1 ZINC000097104965 571204184 /nfs/dbraw/zinc/20/41/84/571204184.db2.gz FIEASBBHPYPMEO-TZIWHRDSSA-N 0 0 368.404 4.154 50 30 FIEARN Cc1c(C(=O)/C=C/c2ccc(COc3ccc4c(c3)CCC4)o2)cnn1C ZINC000006527529 571207209 /nfs/dbraw/zinc/20/72/09/571207209.db2.gz XFPCYUWVTNCZFV-ZHACJKMWSA-N 0 0 362.429 4.285 50 30 FIEARN C=CCSc1nnc(NC(=O)c2nc(-c3ccccc3)oc2C)s1 ZINC000006542410 571208527 /nfs/dbraw/zinc/20/85/27/571208527.db2.gz VNHADYAHXYZRIZ-UHFFFAOYSA-N 0 0 358.448 4.032 50 30 FIEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000006540732 571208567 /nfs/dbraw/zinc/20/85/67/571208567.db2.gz URUFPMAXPWBNKF-LLVKDONJSA-N 0 0 362.788 4.155 50 30 FIEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000004092065 571212139 /nfs/dbraw/zinc/21/21/39/571212139.db2.gz ZMVINJSEAUNLFO-PDGQHHTCSA-N 0 0 350.443 4.072 50 30 FIEARN CCOc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005960286 571214443 /nfs/dbraw/zinc/21/44/43/571214443.db2.gz 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O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(O)c1 ZINC000036245329 571245714 /nfs/dbraw/zinc/24/57/14/571245714.db2.gz HLQATJYPCLYTOG-RIYZIHGNSA-N 0 0 364.348 4.303 50 30 FIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1 ZINC000036356916 571249608 /nfs/dbraw/zinc/24/96/08/571249608.db2.gz GIBZZMZKVZPBTM-MRXNPFEDSA-N 0 0 367.474 4.269 50 30 FIEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)c1 ZINC000036358423 571249695 /nfs/dbraw/zinc/24/96/95/571249695.db2.gz NMCUBNVINZGCNC-GOSISDBHSA-N 0 0 361.376 4.147 50 30 FIEARN Cc1nc(SCC(=O)Nc2ccc3c(c2)CCC3)c(C#N)c(C)c1C ZINC000007058808 571259821 /nfs/dbraw/zinc/25/98/21/571259821.db2.gz NZVJPMWFJMRZHU-UHFFFAOYSA-N 0 0 351.475 4.098 50 30 FIEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)o1 ZINC000065487648 571263837 /nfs/dbraw/zinc/26/38/37/571263837.db2.gz CUMSEROJAZESJG-ZRDIBKRKSA-N 0 0 353.418 4.343 50 30 FIEARN N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000007280292 571264082 /nfs/dbraw/zinc/26/40/82/571264082.db2.gz 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/nfs/dbraw/zinc/28/98/30/571289830.db2.gz VHYCRXWSVAKCBF-UHFFFAOYSA-N 0 0 361.264 4.212 50 30 FIEARN CC(=O)Nc1ccc(N=Cc2ccc(I)cc2)cc1 ZINC000252639330 571291641 /nfs/dbraw/zinc/29/16/41/571291641.db2.gz YJKRKYSHPHKYHR-UHFFFAOYSA-N 0 0 364.186 4.000 50 30 FIEARN CC(C)Oc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000252641322 571292110 /nfs/dbraw/zinc/29/21/10/571292110.db2.gz ZBUVWAQJYOGRBA-UHFFFAOYSA-N 0 0 358.354 4.126 50 30 FIEARN CC(C)(C)OC(=O)N1CCC(COc2ccc(Cl)cc2C#N)CC1 ZINC000199726218 571292314 /nfs/dbraw/zinc/29/23/14/571292314.db2.gz VAWFSNOONDWPIO-UHFFFAOYSA-N 0 0 350.846 4.238 50 30 FIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006624006 571308003 /nfs/dbraw/zinc/30/80/03/571308003.db2.gz LFSRETZWVUHKLB-ICWWQFESSA-N 0 0 356.506 4.245 50 30 FIEARN CNc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000253417969 571312760 /nfs/dbraw/zinc/31/27/60/571312760.db2.gz PLCIOAIKEDVROK-UHFFFAOYSA-N 0 0 357.413 4.431 50 30 FIEARN CC(C)(C#N)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2N)cc1 ZINC000253419502 571312856 /nfs/dbraw/zinc/31/28/56/571312856.db2.gz YCGCYBKIXCDLQB-UHFFFAOYSA-N 0 0 356.429 4.384 50 30 FIEARN Cc1ccnc2[nH]c(SCc3ccc(C#N)cc3Br)nc21 ZINC000253432219 571316551 /nfs/dbraw/zinc/31/65/51/571316551.db2.gz XDHQSDGTGRUKKG-UHFFFAOYSA-N 0 0 359.252 4.193 50 30 FIEARN CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426395405 571322054 /nfs/dbraw/zinc/32/20/54/571322054.db2.gz PNDVYVQDIFTBJA-HXUWFJFHSA-N 0 0 366.436 4.396 50 30 FIEARN CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426658175 571322196 /nfs/dbraw/zinc/32/21/96/571322196.db2.gz GCXXXTBIMXGIBM-LJQANCHMSA-N 0 0 352.409 4.005 50 30 FIEARN N#Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000007947598 571322677 /nfs/dbraw/zinc/32/26/77/571322677.db2.gz OPAHUBTUGBLMFP-SFHVURJKSA-N 0 0 350.468 4.469 50 30 FIEARN C[C@H]1c2cc3c(cc2CCN1CC(=O)Nc1ccccc1)OCCCO3 ZINC000082059207 571322694 /nfs/dbraw/zinc/32/26/94/571322694.db2.gz 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571340055 /nfs/dbraw/zinc/34/00/55/571340055.db2.gz ZRTRCRIXCLTJRG-UHFFFAOYSA-N 0 0 370.474 4.087 50 30 FIEARN O=C1/C(=C\c2ccccc2[N+](=O)[O-])CC/C1=C/c1ccccc1[N+](=O)[O-] ZINC000230168246 571344519 /nfs/dbraw/zinc/34/45/19/571344519.db2.gz MGUNNOKSUYSCLE-NFLUSIDLSA-N 0 0 350.330 4.333 50 30 FIEARN CCOC(=O)c1cc(C#N)c(Oc2ccc(C)cc2)nc1C(F)(F)F ZINC000003467408 571350129 /nfs/dbraw/zinc/35/01/29/571350129.db2.gz PZOJENICRWLGNB-UHFFFAOYSA-N 0 0 350.296 4.250 50 30 FIEARN Cc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000031291823 571351929 /nfs/dbraw/zinc/35/19/29/571351929.db2.gz UZDGLRYWBSKLQY-NCELDCMTSA-N 0 0 370.500 4.131 50 30 in-man FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000003892320 571352933 /nfs/dbraw/zinc/35/29/33/571352933.db2.gz GQZLXRPKQVBCKE-LLVKDONJSA-N 0 0 364.426 4.103 50 30 FIEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(O)cc3)on2)c1C#N ZINC000003907805 571353081 /nfs/dbraw/zinc/35/30/81/571353081.db2.gz VNZYJCFZEDJXBR-UHFFFAOYSA-N 0 0 353.403 4.104 50 30 FIEARN C#CCNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000004040948 571354434 /nfs/dbraw/zinc/35/44/34/571354434.db2.gz WYGJAZIQEOWJMY-UHFFFAOYSA-N 0 0 366.389 4.407 50 30 FIEARN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OC1CCCCCCC1 ZINC000004050677 571354496 /nfs/dbraw/zinc/35/44/96/571354496.db2.gz NQVIVQQPXBSNAZ-UHFFFAOYSA-N 0 0 361.825 4.355 50 30 FIEARN Cc1[nH]c2ccccc2c1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000004754514 1082980016 /nfs/dbraw/zinc/98/00/16/1082980016.db2.gz QSVYPHVMLNSRIM-BHGWPJFGSA-N 0 0 367.416 4.051 50 30 FIEARN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCCCO1 ZINC000328718736 1089862253 /nfs/dbraw/zinc/86/22/53/1089862253.db2.gz VEBKPKKQTUTAKW-HNNXBMFYSA-N 0 0 361.442 4.268 50 30 FIEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000004005948 1090257399 /nfs/dbraw/zinc/25/73/99/1090257399.db2.gz YONPZOTXVLIQRE-NHCUHLMSSA-N 0 0 360.457 4.236 50 30 FIEARN N#Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](Cc2ccccc2)CCO3)cc1 ZINC000581818033 1090409535 /nfs/dbraw/zinc/40/95/35/1090409535.db2.gz CAROJTTWWKHJCS-OAQYLSRUSA-N 0 0 374.484 4.202 50 30 FIEARN Cc1cccn2c(=O)c(C=Nc3ccccc3)c(NCc3ccccc3)nc12 ZINC000263627009 1094279044 /nfs/dbraw/zinc/27/90/44/1094279044.db2.gz NJFLISZOFFENPS-UHFFFAOYSA-N 0 0 368.440 4.366 50 30 FIEARN CC1(C)[C@H]2CC[C@]1(C)C(=NNS(=O)(=O)c1ccc3ccccc3c1)C2 ZINC000254506221 1114153261 /nfs/dbraw/zinc/15/32/61/1114153261.db2.gz PYQPMUPBWNPOPE-OXJNMPFZSA-N 0 0 356.491 4.320 50 30 FIEARN COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC#N ZINC000033469918 1122546233 /nfs/dbraw/zinc/54/62/33/1122546233.db2.gz YBXWWBCODMFGJL-CLTKARDFSA-N 0 0 367.386 4.286 50 30 FIEARN O=C(/C=C\c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000033562202 1122667512 /nfs/dbraw/zinc/66/75/12/1122667512.db2.gz FRKNVAHPCFXIRT-WTKPLQERSA-N 0 0 372.262 4.182 50 30 FIEARN C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(Br)cc1 ZINC000000671722 210261258 /nfs/dbraw/zinc/26/12/58/210261258.db2.gz PCJZTQCIJITTIV-XDHOZWIPSA-N 0 0 362.296 4.468 50 30 FIEARN Cc1nn2c(nc(-c3ccc(OC(C)C)cc3)cc2C(F)(F)F)c1C#N ZINC000000664720 210259438 /nfs/dbraw/zinc/25/94/38/210259438.db2.gz HTDFWDZWUYIBKB-UHFFFAOYSA-N 0 0 360.339 4.382 50 30 FIEARN O=C(C(C(=O)c1ccccc1)=C1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000636228 210254126 /nfs/dbraw/zinc/25/41/26/210254126.db2.gz ZCXIXMKKFJWZMD-UHFFFAOYSA-N 0 0 366.372 4.128 50 30 FIEARN COc1cc(-c2nc(SC)c(C#N)c3c2CCCC3)cc(OC)c1OC ZINC000000622694 210251784 /nfs/dbraw/zinc/25/17/84/210251784.db2.gz WTTCMKSYYQOUMY-UHFFFAOYSA-N 0 0 370.474 4.247 50 30 FIEARN C=CCn1c(C)cc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)c1C ZINC000105785828 210245509 /nfs/dbraw/zinc/24/55/09/210245509.db2.gz DESMTTXDTCBKRT-QZQOTICOSA-N 0 0 352.507 4.230 50 30 FIEARN CCOc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000096298085 210238921 /nfs/dbraw/zinc/23/89/21/210238921.db2.gz LCGUERDOJQFKLV-YFHOEESVSA-N 0 0 356.418 4.397 50 30 FIEARN C#CC[C@@H](NC(=O)Nc1ccc(F)cc1Br)c1ccccc1 ZINC000089261532 210236369 /nfs/dbraw/zinc/23/63/69/210236369.db2.gz UBEIKDGFSRBMNP-OAHLLOKOSA-N 0 0 361.214 4.474 50 30 FIEARN C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c(O)c1 ZINC000015952641 210234258 /nfs/dbraw/zinc/23/42/58/210234258.db2.gz RCTKUXTUNFRIHB-UHFFFAOYSA-N 0 0 363.417 4.062 50 30 FIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O ZINC000012862575 210233686 /nfs/dbraw/zinc/23/36/86/210233686.db2.gz CLRPBDPWRNGRBW-GRSHGNNSSA-N 0 0 352.386 4.275 50 30 biogenic FIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000013629285 210233735 /nfs/dbraw/zinc/23/37/35/210233735.db2.gz UYVNWCOJRFPOCV-WQRHYEAKSA-N 0 0 355.365 4.283 50 30 FIEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O ZINC000005156643 210229342 /nfs/dbraw/zinc/22/93/42/210229342.db2.gz OYRYJTSYQLDCGO-YBEGLDIGSA-N 0 0 352.367 4.485 50 30 FIEARN CCOC(=O)c1c2cc(OCC#N)ccc2oc1-c1ccc(OC)cc1 ZINC000002320632 210226949 /nfs/dbraw/zinc/22/69/49/210226949.db2.gz MGBAXHSSZVKWSY-UHFFFAOYSA-N 0 0 351.358 4.187 50 30 FIEARN C=C(C)COc1ccc2c(c1)occ(Oc1ccc(C(=O)OC)cc1)c2=O ZINC000002104244 210227116 /nfs/dbraw/zinc/22/71/16/210227116.db2.gz XNFPIFPPCGOSBQ-UHFFFAOYSA-N 0 0 366.369 4.327 50 30 biogenic FIEARN C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2C[C@@H]1CCCCO1 ZINC000035927830 210169789 /nfs/dbraw/zinc/16/97/89/210169789.db2.gz PQMHVILBCVDIRV-IRXDYDNUSA-N 0 0 370.493 4.304 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1F ZINC000025694760 210160520 /nfs/dbraw/zinc/16/05/20/210160520.db2.gz WVJYDKPSPJHLMX-UHFFFAOYSA-N 0 0 368.452 4.194 50 30 FIEARN C=CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054361 210149918 /nfs/dbraw/zinc/14/99/18/210149918.db2.gz VSIMTUYWVZXNNK-UHFFFAOYSA-N 0 0 352.503 4.483 50 30 FIEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000001167842 210148172 /nfs/dbraw/zinc/14/81/72/210148172.db2.gz ACWGBWGYALBQFV-XDHOZWIPSA-N 0 0 364.470 4.380 50 30 FIEARN C=C(C)Cn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 ZINC000000834867 210148037 /nfs/dbraw/zinc/14/80/37/210148037.db2.gz IOTJLWAXZZFCLE-UHFFFAOYSA-N 0 0 369.446 4.098 50 30 FIEARN C=CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2ccccc2s1 ZINC000015639921 210145936 /nfs/dbraw/zinc/14/59/36/210145936.db2.gz ABQPJLFCLIDPAE-UHFFFAOYSA-N 0 0 353.403 4.346 50 30 FIEARN C=CCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O ZINC000015011150 210145254 /nfs/dbraw/zinc/14/52/54/210145254.db2.gz UPWHKWHNKOZMTQ-BOPFTXTBSA-N 0 0 361.463 4.342 50 30 FIEARN C=CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1nc2c(s1)CCCC2 ZINC000012761714 210141798 /nfs/dbraw/zinc/14/17/98/210141798.db2.gz KIIHLOCIGSRLNT-MRXNPFEDSA-N 0 0 374.893 4.198 50 30 FIEARN C=CCN(C(=O)c1cc(=O)[nH]c2ccccc21)c1nc2ccccc2s1 ZINC000012914739 210141388 /nfs/dbraw/zinc/14/13/88/210141388.db2.gz UTRBMPQWJGVQAP-UHFFFAOYSA-N 0 0 361.426 4.383 50 30 FIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)(C)C ZINC000012409893 210139816 /nfs/dbraw/zinc/13/98/16/210139816.db2.gz OUNLDZZMVAVNKD-UHFFFAOYSA-N 0 0 374.506 4.108 50 30 FIEARN C=CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)c1 ZINC000006748569 210108682 /nfs/dbraw/zinc/10/86/82/210108682.db2.gz GKANXKVCVVRPKB-UHFFFAOYSA-N 0 0 362.385 4.119 50 30 FIEARN C=CCNC(=S)C(C(=O)c1ccc([C@H](C)CC)cc1)[n+]1ccccc1 ZINC000006168273 210108277 /nfs/dbraw/zinc/10/82/77/210108277.db2.gz XLWOXJAAEIRMPP-MRXNPFEDSA-O 0 0 353.511 4.474 50 30 FIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000004033606 210104149 /nfs/dbraw/zinc/10/41/49/210104149.db2.gz HJUGGMLDQGLBCR-HNNXBMFYSA-N 0 0 363.486 4.465 50 30 FIEARN C=C(C)COc1ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000004085104 210103730 /nfs/dbraw/zinc/10/37/30/210103730.db2.gz WMYYJWYAUMLZFX-UHFFFAOYSA-N 0 0 352.386 4.432 50 30 biogenic FIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000004385034 210103218 /nfs/dbraw/zinc/10/32/18/210103218.db2.gz QVYOOQGUVUOTBG-AWEZNQCLSA-N 0 0 351.837 4.396 50 30 FIEARN C=CCNC(=S)Nc1cccc([C@@H](C)OC(=O)NC2CCCCC2)c1 ZINC000005570387 210105511 /nfs/dbraw/zinc/10/55/11/210105511.db2.gz HTWLLFPHUBKBLG-CQSZACIVSA-N 0 0 361.511 4.279 50 30 FIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000005209409 210105031 /nfs/dbraw/zinc/10/50/31/210105031.db2.gz XEHFZIMBSZZUPP-MRXNPFEDSA-N 0 0 361.445 4.142 50 30 FIEARN C=CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(C)(=O)=O ZINC000005051066 210104924 /nfs/dbraw/zinc/10/49/24/210104924.db2.gz PXTLATCGXYHWHO-UHFFFAOYSA-N 0 0 372.490 4.014 50 30 FIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 ZINC000004033328 210104592 /nfs/dbraw/zinc/10/45/92/210104592.db2.gz MMYKOMFQHHQVRN-OAHLLOKOSA-N 0 0 363.848 4.152 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cn1 ZINC000065466280 210100264 /nfs/dbraw/zinc/10/02/64/210100264.db2.gz WKDCERUIHSSYGK-UHFFFAOYSA-N 0 0 355.445 4.237 50 30 FIEARN Cc1cc(C)cc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)c1 ZINC000004619972 210079282 /nfs/dbraw/zinc/07/92/82/210079282.db2.gz DJRBOYMEIRDDGQ-DYYXWGBJSA-N 0 0 361.489 4.460 50 30 FIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040266431 210043944 /nfs/dbraw/zinc/04/39/44/210043944.db2.gz QJAMHPFBSFJLGX-GOSISDBHSA-N 0 0 361.376 4.147 50 30 FIEARN N#Cc1c2nc3ccccc3n2c(NCc2cccnc2)c2c1CCCC2 ZINC000005249061 219665603 /nfs/dbraw/zinc/66/56/03/219665603.db2.gz BGHFSUSGWJZMSN-UHFFFAOYSA-N 0 0 353.429 4.245 50 30 FIEARN Cc1nccn1-c1ccc(CNc2cc(C#N)cc([N+](=O)[O-])c2C)cc1F ZINC000058365614 212005992 /nfs/dbraw/zinc/00/59/92/212005992.db2.gz UIKBZBHGGZUSTC-UHFFFAOYSA-N 0 0 365.368 4.020 50 30 FIEARN CCc1sc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br ZINC000013600985 220078381 /nfs/dbraw/zinc/07/83/81/220078381.db2.gz YMVUEUPBKDYKJT-WQLSENKSSA-N 0 0 362.248 4.418 50 30 FIEARN CC1(C)[C@@]2(C(=O)Nc3ccccc3Br)CC[C@]1(C)/C(=N/O)C2 ZINC000017885481 220218881 /nfs/dbraw/zinc/21/88/81/220218881.db2.gz NOVLIIYOFSFRKJ-LWYMUBTISA-N 0 0 365.271 4.434 50 30 FIEARN N#Cc1ccc(OCC(=O)Nc2cccc(/C=C\c3ccccn3)c2)cc1 ZINC000033477137 211607404 /nfs/dbraw/zinc/60/74/04/211607404.db2.gz MNUZQRIXLBRKTL-YFHOEESVSA-N 0 0 355.397 4.141 50 30 FIEARN Cc1nn(-c2ccccc2)c(COc2ccc3c(C)cc(=O)oc3c2)c1C#N ZINC000026865849 211455426 /nfs/dbraw/zinc/45/54/26/211455426.db2.gz IVTVDPCCXTUPGT-UHFFFAOYSA-N 0 0 371.396 4.046 50 30 FIEARN COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)ccc1OC(F)F ZINC000022756577 211362278 /nfs/dbraw/zinc/36/22/78/211362278.db2.gz VKOBJYVGXWMLNW-XYOKQWHBSA-N 0 0 364.319 4.485 50 30 FIEARN Cc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1C ZINC000019909837 211262143 /nfs/dbraw/zinc/26/21/43/211262143.db2.gz QOTOXDBDLNFRTF-FNORWQNLSA-N 0 0 359.219 4.028 50 30 FIEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867027 211259520 /nfs/dbraw/zinc/25/95/20/211259520.db2.gz CZVPQXRYNFNUDE-SFHVURJKSA-N 0 0 359.491 4.304 50 30 FIEARN CN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O ZINC000019799348 211256904 /nfs/dbraw/zinc/25/69/04/211256904.db2.gz APCJTYHCPHLEHF-OAHLLOKOSA-N 0 0 353.249 4.333 50 30 FIEARN O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccs1 ZINC000018153018 211191672 /nfs/dbraw/zinc/19/16/72/211191672.db2.gz CKPLFQBZXWIKTQ-WQLSENKSSA-N 0 0 365.277 4.402 50 30 FIEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000018198773 211194208 /nfs/dbraw/zinc/19/42/08/211194208.db2.gz BSPIIKTYQHCIHO-OAQYLSRUSA-N 0 0 356.429 4.140 50 30 FIEARN CC(NN(Cc1ccccc1)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000018190593 211194312 /nfs/dbraw/zinc/19/43/12/211194312.db2.gz HDHSZCPXTFSNED-UHFFFAOYSA-N 0 0 362.473 4.430 50 30 FIEARN O=C1CS/C(=N\c2cc(Cl)cc(Cl)c2)N1Cc1cccnc1 ZINC000018164864 211194005 /nfs/dbraw/zinc/19/40/05/211194005.db2.gz ZMIUJRDDBXLUOY-CYVLTUHYSA-N 0 0 352.246 4.152 50 30 FIEARN O=S(=O)(NN=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000017076022 211179237 /nfs/dbraw/zinc/17/92/37/211179237.db2.gz GRFBRNXLASCHAU-UHFFFAOYSA-N 0 0 370.861 4.071 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000016741485 211168015 /nfs/dbraw/zinc/16/80/15/211168015.db2.gz WCLJLNUXINMFCT-QGZVFWFLSA-N 0 0 371.458 4.135 50 30 FIEARN N#Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 ZINC000016467533 211160789 /nfs/dbraw/zinc/16/07/89/211160789.db2.gz DIJNEZDYSSERCQ-UHFFFAOYSA-N 0 0 358.426 4.116 50 30 FIEARN COc1cccc(/C=N/c2ccccc2C(=O)Nc2nccs2)c1OC ZINC000015990098 211151767 /nfs/dbraw/zinc/15/17/67/211151767.db2.gz JJUIOZLROZXLJG-CIAFOILYSA-N 0 0 367.430 4.163 50 30 FIEARN Cc1onc(-c2ccccc2)c1C(=O)N=C(N)c1ccc(C(F)(F)F)cc1 ZINC000015924046 211150916 /nfs/dbraw/zinc/15/09/16/211150916.db2.gz OSFRRQALNQTPHH-UHFFFAOYSA-N 0 0 373.334 4.215 50 30 FIEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000015016524 211115296 /nfs/dbraw/zinc/11/52/96/211115296.db2.gz YNZFPLFMCFVGKP-DHDCSXOGSA-N 0 0 373.821 4.448 50 30 FIEARN CC1(C)CC(=O)C=C(N[C@@H]2CCCC[C@H]2NC2=CC(=O)CC(C)(C)C2)C1 ZINC000015022475 211115373 /nfs/dbraw/zinc/11/53/73/211115373.db2.gz ADMFYXMNRHBGPX-WOJBJXKFSA-N 0 0 358.526 4.023 50 30 FIEARN CCOC(=O)c1sc2nc(C)nc(Oc3ccccc3C#N)c2c1C ZINC000015209840 211126201 /nfs/dbraw/zinc/12/62/01/211126201.db2.gz AIBALWMFCWKBDY-UHFFFAOYSA-N 0 0 353.403 4.149 50 30 FIEARN Cc1ccc(NC(=S)NN=C2C(=O)Nc3c2cc(C)cc3C)c(C)c1 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ZINC000040111285 571078980 /nfs/dbraw/zinc/07/89/80/571078980.db2.gz UYEMCBWSBSSRJO-UHFFFAOYSA-N 0 0 353.378 4.082 50 30 FIEARN C=CCN1c2cc(NC(=O)Oc3ccccc3)ccc2OCC(C)(C)C1=O ZINC000008959544 571082817 /nfs/dbraw/zinc/08/28/17/571082817.db2.gz QEDHQBUZQKSJFT-UHFFFAOYSA-N 0 0 366.417 4.235 50 30 FIEARN N#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000032985432 571083264 /nfs/dbraw/zinc/08/32/64/571083264.db2.gz MNGAIEVHTNUZMQ-OAHLLOKOSA-N 0 0 374.827 4.275 50 30 FIEARN C=CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc2c(s1)CCCC2 ZINC000040159596 571089059 /nfs/dbraw/zinc/08/90/59/571089059.db2.gz YXYIXBKNSFQGRU-UHFFFAOYSA-N 0 0 357.479 4.002 50 30 FIEARN N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000009010799 571090468 /nfs/dbraw/zinc/09/04/68/571090468.db2.gz UTTMGYLQIQLNRH-UHFFFAOYSA-N 0 0 373.437 4.202 50 30 FIEARN C[C@@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004593563 571099216 /nfs/dbraw/zinc/09/92/16/571099216.db2.gz SSCRIPTVQFSGHN-JSFDKUKPSA-N 0 0 350.422 4.355 50 30 FIEARN CN(C)/C=C/C(=O)c1cnc(N(C)c2ccc(C(F)(F)F)cc2)s1 ZINC000043798938 571101226 /nfs/dbraw/zinc/10/12/26/571101226.db2.gz XXQGMOWMWZFSGW-CMDGGOBGSA-N 0 0 355.385 4.188 50 30 FIEARN FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)Br ZINC000044360349 571101918 /nfs/dbraw/zinc/10/19/18/571101918.db2.gz RWWUGYJWSVESJC-UHFFFAOYSA-N 0 0 359.836 4.232 50 30 FIEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000016102294 571104812 /nfs/dbraw/zinc/10/48/12/571104812.db2.gz QLVZLZDIRUIEPW-XLNRJJMWSA-N 0 0 364.470 4.365 50 30 FIEARN CCCCCCCCn1c2ccccc2nc1-c1nonc1NC(C)=O ZINC000050861720 571110774 /nfs/dbraw/zinc/11/07/74/571110774.db2.gz JDQMBAXSPMAIRY-UHFFFAOYSA-N 0 0 355.442 4.405 50 30 FIEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000012575969 571118301 /nfs/dbraw/zinc/11/83/01/571118301.db2.gz HUWORFFVVUVYPL-HSZRJFAPSA-N 0 0 368.521 4.117 50 30 FIEARN C=CCNC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 ZINC000004624662 571122289 /nfs/dbraw/zinc/12/22/89/571122289.db2.gz 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/nfs/dbraw/zinc/16/35/95/571163595.db2.gz HQYJJKUFAGBCIC-CPNJWEJPSA-N 0 0 362.520 4.018 50 30 FIEARN C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000257357509 571163769 /nfs/dbraw/zinc/16/37/69/571163769.db2.gz OKHAOBQKCCIRLO-MHWFVTDTSA-N 0 0 354.490 4.171 50 30 FIEARN CC(=O)c1ccc(C[C@H]2SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000005830382 571166436 /nfs/dbraw/zinc/16/64/36/571166436.db2.gz WRGNCISAXDCEQY-MRXNPFEDSA-N 0 0 358.850 4.004 50 30 FIEARN CCCOc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1OCCC ZINC000005937178 571168557 /nfs/dbraw/zinc/16/85/57/571168557.db2.gz XXBVSLIOIQTSOY-UHFFFAOYSA-N 0 0 368.433 4.153 50 30 FIEARN COc1ccccc1-c1nc(NC(=O)CSCc2cccs2)n[nH]1 ZINC000052778726 571171187 /nfs/dbraw/zinc/17/11/87/571171187.db2.gz PYMYNJZMPULALP-UHFFFAOYSA-N 0 0 360.464 4.063 50 30 FIEARN CCOc1ccc2nc(SCC(=O)Nc3cccc(C#N)c3)sc2c1 ZINC000003283556 571178879 /nfs/dbraw/zinc/17/88/79/571178879.db2.gz DDFJSYRUMWKGPQ-UHFFFAOYSA-N 0 0 369.471 4.297 50 30 FIEARN COc1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006409320 571184395 /nfs/dbraw/zinc/18/43/95/571184395.db2.gz ONSLCBNDJKYTNS-UHFFFAOYSA-N 0 0 358.397 4.251 50 30 FIEARN CCc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000026779529 571198080 /nfs/dbraw/zinc/19/80/80/571198080.db2.gz LSPSAWLIEKWMIP-UHFFFAOYSA-N 0 0 372.472 4.020 50 30 FIEARN CC1(C)CC(=O)C([C@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)=C(N)C1 ZINC000004729750 571200907 /nfs/dbraw/zinc/20/09/07/571200907.db2.gz NKILYIIEQDRTPG-LJQANCHMSA-N 0 0 365.473 4.408 50 30 FIEARN Cc1c(C(=O)/C=C\c2ccc(COc3ccccc3Cl)o2)cnn1C ZINC000006527536 571207263 /nfs/dbraw/zinc/20/72/63/571207263.db2.gz BTOOJKXTCYABFX-KTKRTIGZSA-N 0 0 356.809 4.450 50 30 FIEARN CCn1ncc(Br)c1C(=O)/C=C/c1c(F)cccc1Cl ZINC000006556022 571209285 /nfs/dbraw/zinc/20/92/85/571209285.db2.gz MEGOWVPFSTUXJH-VOTSOKGWSA-N 0 0 357.610 4.354 50 30 FIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000004078855 571211142 /nfs/dbraw/zinc/21/11/42/571211142.db2.gz 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CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cccc(OC)c1 ZINC000006758358 571245413 /nfs/dbraw/zinc/24/54/13/571245413.db2.gz WRISZSJOVVTGAX-FPOVZHCZSA-N 0 0 350.414 4.015 50 30 FIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccccc2)C1=O ZINC000036257938 571246218 /nfs/dbraw/zinc/24/62/18/571246218.db2.gz KPIFKIPQJBHWNG-FOWTUZBSSA-N 0 0 369.417 4.369 50 30 FIEARN CCOc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2)cc1 ZINC000006831409 571249360 /nfs/dbraw/zinc/24/93/60/571249360.db2.gz IFFFOJOKXMITHX-UHFFFAOYSA-N 0 0 350.447 4.339 50 30 FIEARN N#Cc1cccc(CSc2nnc(NC(=O)C3CCCCC3)s2)c1 ZINC000006839167 571249863 /nfs/dbraw/zinc/24/98/63/571249863.db2.gz QHUPTBQIKBRREP-UHFFFAOYSA-N 0 0 358.492 4.221 50 30 FIEARN COC(=O)c1cc(CSc2nc(C(F)(F)F)cc(C)c2C#N)cs1 ZINC000036612072 571257889 /nfs/dbraw/zinc/25/78/89/571257889.db2.gz ZYKIAPHFYRDZTH-UHFFFAOYSA-N 0 0 372.393 4.421 50 30 FIEARN Cc1csc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1 ZINC000007196086 571262935 /nfs/dbraw/zinc/26/29/35/571262935.db2.gz CXNCFVFZOKMACZ-UHFFFAOYSA-N 0 0 351.884 4.144 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(OC)c1 ZINC000170615343 571268293 /nfs/dbraw/zinc/26/82/93/571268293.db2.gz IJGOEWYYVDPYCC-IRLDBZIGSA-N 0 0 364.441 4.323 50 30 FIEARN C[C@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 ZINC000170625326 571269323 /nfs/dbraw/zinc/26/93/23/571269323.db2.gz IVGNIFOSJQQLFM-KXBFYZLASA-N 0 0 352.507 4.457 50 30 FIEARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252462397 571279176 /nfs/dbraw/zinc/27/91/76/571279176.db2.gz RZICSKIAYKYEBB-UHFFFAOYSA-N 0 0 370.405 4.083 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(C)c1 ZINC000252488840 571280602 /nfs/dbraw/zinc/28/06/02/571280602.db2.gz JAFFBASWDNJIAJ-KNQAVFIVSA-N 0 0 364.441 4.323 50 30 FIEARN CC(=O)c1cccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)c1 ZINC000252599434 571284606 /nfs/dbraw/zinc/28/46/06/571284606.db2.gz DIZMKBDDVWSYJU-UHFFFAOYSA-N 0 0 368.396 4.326 50 30 FIEARN Cc1c2c(c(C)n1N=Cc1cc(Br)ccc1O)c(C)nnc2C ZINC000252614944 571285961 /nfs/dbraw/zinc/28/59/61/571285961.db2.gz JNWJJUSSCCYVOR-UHFFFAOYSA-N 0 0 373.254 4.015 50 30 FIEARN COc1ccc(-c2nc3ccccn3c2N=Cc2ccc3c(c2)OCO3)cc1 ZINC000252615861 571286020 /nfs/dbraw/zinc/28/60/20/571286020.db2.gz JWFPMNIXHKRETJ-UHFFFAOYSA-N 0 0 371.396 4.489 50 30 FIEARN ON=Cc1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000252620438 571287498 /nfs/dbraw/zinc/28/74/98/571287498.db2.gz MEGBUZOFMDCCMS-QGZVFWFLSA-N 0 0 360.413 4.043 50 30 FIEARN Cn1c2ccccc2[nH]c1=NN=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252625238 571288897 /nfs/dbraw/zinc/28/88/97/571288897.db2.gz QFUNGQULJZNSTL-UHFFFAOYSA-N 0 0 360.417 4.350 50 30 FIEARN O=C(CON=Cc1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000252625195 571288954 /nfs/dbraw/zinc/28/89/54/571288954.db2.gz QFAQTNUJWGWPNQ-UHFFFAOYSA-N 0 0 372.730 4.054 50 30 FIEARN COC(=O)C1=C(C)CC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000138175913 571311440 /nfs/dbraw/zinc/31/14/40/571311440.db2.gz OHXJJIPKIIKDNN-FQEVSTJZSA-N 0 0 370.445 4.063 50 30 FIEARN COCC[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 ZINC000426420310 571322048 /nfs/dbraw/zinc/32/20/48/571322048.db2.gz YONHDCCSUDPANX-HXUWFJFHSA-N 0 0 366.436 4.396 50 30 FIEARN N#Cc1c(NC(=O)c2cc3ccccc3c(=O)s2)sc2c1CCCC2 ZINC000012274393 571322342 /nfs/dbraw/zinc/32/23/42/571322342.db2.gz QWVYTVCBNPZZAC-UHFFFAOYSA-N 0 0 366.467 4.326 50 30 FIEARN C[C@H]1CCc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000328593249 571323650 /nfs/dbraw/zinc/32/36/50/571323650.db2.gz GNPWKQWIORCKPH-YJBOKZPZSA-N 0 0 368.440 4.065 50 30 FIEARN Cc1noc([C@H](Nc2cc(C)c(C#N)c3nc4ccccc4n32)C(C)C)n1 ZINC000079063799 571326786 /nfs/dbraw/zinc/32/67/86/571326786.db2.gz CSOPCUFAMHXUAE-GOSISDBHSA-N 0 0 360.421 4.168 50 30 FIEARN CC1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1 ZINC000019858625 571327422 /nfs/dbraw/zinc/32/74/22/571327422.db2.gz FTTKRWIAIFBRFY-UHFFFAOYSA-N 0 0 351.450 4.301 50 30 FIEARN CC(C)Cc1nnc(NC(=O)[C@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)[nH]1 ZINC000095479635 571330984 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CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000170618187 571268501 /nfs/dbraw/zinc/26/85/01/571268501.db2.gz FDJDEDDOYFCWNK-FZKQIMNGSA-N 0 0 362.784 4.391 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(F)cc1 ZINC000170618308 571268624 /nfs/dbraw/zinc/26/86/24/571268624.db2.gz NIDNJSQKQDNMFY-GHTZIAJQSA-N 0 0 368.404 4.154 50 30 FIEARN C[C@@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 ZINC000170625321 571269333 /nfs/dbraw/zinc/26/93/33/571269333.db2.gz IVGNIFOSJQQLFM-DNVCBOLYSA-N 0 0 352.507 4.457 50 30 FIEARN N#CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 ZINC000016841542 571273116 /nfs/dbraw/zinc/27/31/16/571273116.db2.gz KFODGYILCHFMHY-UHFFFAOYSA-N 0 0 372.453 4.056 50 30 FIEARN C=CCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000002872474 571275838 /nfs/dbraw/zinc/27/58/38/571275838.db2.gz ORIKZFUFIZMMOA-UHFFFAOYSA-N 0 0 357.435 4.066 50 30 FIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1ccc(C)cc1 ZINC000007759440 571276927 /nfs/dbraw/zinc/27/69/27/571276927.db2.gz PFDUBYJRHRQLDW-UHFFFAOYSA-N 0 0 361.445 4.111 50 30 FIEARN C=C(C)COc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O ZINC000002098708 571276966 /nfs/dbraw/zinc/27/69/66/571276966.db2.gz ILZYICTWWMJPBI-UHFFFAOYSA-N 0 0 352.386 4.432 50 30 biogenic FIEARN CC(=NNC(=S)Nc1cccc(C)c1)c1ccc(Br)cc1 ZINC000252444387 571278711 /nfs/dbraw/zinc/27/87/11/571278711.db2.gz PCJZTQCIJITTIV-UHFFFAOYSA-N 0 0 362.296 4.468 50 30 FIEARN COc1cc(C=Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000252463189 571279187 /nfs/dbraw/zinc/27/91/87/571279187.db2.gz ZMZFEMOGVBGQDU-UHFFFAOYSA-N 0 0 365.183 4.125 50 30 FIEARN N#Cc1ccc(COC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 ZINC000007627060 571284976 /nfs/dbraw/zinc/28/49/76/571284976.db2.gz RUYLMEVSENURFQ-KRWDZBQOSA-N 0 0 353.443 4.186 50 30 FIEARN COc1ccc(N=Cc2ccc(C(=O)Oc3ccco3)cc2)cc1OC ZINC000252615596 571285899 /nfs/dbraw/zinc/28/58/99/571285899.db2.gz JTFXFURVCHQNHI-UHFFFAOYSA-N 0 0 351.358 4.267 50 30 FIEARN S=C(NCc1ccccc1)NN=Cc1ccc(Sc2ccccc2)o1 ZINC000252616412 571286036 /nfs/dbraw/zinc/28/60/36/571286036.db2.gz KAFYRBQKOZKKRY-UHFFFAOYSA-N 0 0 367.499 4.429 50 30 FIEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)ccc1OC ZINC000252616119 571286059 /nfs/dbraw/zinc/28/60/59/571286059.db2.gz JXGDXAIMFOLLLC-ORZNGPHRSA-N 0 0 368.458 4.328 50 30 FIEARN COCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=Nc1ccccc1 ZINC000252622981 571288392 /nfs/dbraw/zinc/28/83/92/571288392.db2.gz OHDMVKHXWCUVNO-DOZOSFQVSA-N 0 0 352.459 4.245 50 30 FIEARN CCCOc1ccc(C(=O)CCC(=O)OCc2ccccc2C#N)cc1 ZINC000007772391 571288430 /nfs/dbraw/zinc/28/84/30/571288430.db2.gz JVGYYYVWOZYVLX-UHFFFAOYSA-N 0 0 351.402 4.053 50 30 FIEARN Cc1ccc(N=C2c3ccccc3N(CN3CCC(C)CC3)C2=O)c(C)c1 ZINC000252640397 571291632 /nfs/dbraw/zinc/29/16/32/571291632.db2.gz YTCDTTDVGIUKGN-UHFFFAOYSA-N 0 0 361.489 4.460 50 30 FIEARN C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000005167230 571311329 /nfs/dbraw/zinc/31/13/29/571311329.db2.gz CKFBRGLGTWAVLG-GOMYTPFNSA-N 0 0 370.489 4.185 50 30 in-man FIEARN CCOc1ccc(C#N)cc1NC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C ZINC000253424719 571312978 /nfs/dbraw/zinc/31/29/78/571312978.db2.gz KELKIHCSXHYXGY-UHFFFAOYSA-N 0 0 365.393 4.201 50 30 FIEARN N#Cc1cccc(-c2nccn2-c2cccc(C(=O)Nc3cccnc3)c2)c1 ZINC000077319814 571320964 /nfs/dbraw/zinc/32/09/64/571320964.db2.gz IOINWQZMSXJZCF-UHFFFAOYSA-N 0 0 365.396 4.058 50 30 FIEARN O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000011330752 571321847 /nfs/dbraw/zinc/32/18/47/571321847.db2.gz VPRKTBIVZSHATK-QPJJXVBHSA-N 0 0 355.262 4.362 50 30 FIEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O ZINC000012861711 571322801 /nfs/dbraw/zinc/32/28/01/571322801.db2.gz OAQPAOLGPSYGBM-ODLFYWEKSA-N 0 0 362.337 4.124 50 30 biogenic FIEARN CC(C)(C)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)nc(C(C)(C)C)n1 ZINC000154649548 571326337 /nfs/dbraw/zinc/32/63/37/571326337.db2.gz SHRZJVBWIUNRFH-UHFFFAOYSA-N 0 0 372.419 4.474 50 30 FIEARN C=CCOc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)cc1OC ZINC000078934837 571326390 /nfs/dbraw/zinc/32/63/90/571326390.db2.gz YIWUOLTZIHLINI-MRXNPFEDSA-N 0 0 373.474 4.092 50 30 FIEARN Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cccnc3Cl)n2)cc1 ZINC000079101527 571326952 /nfs/dbraw/zinc/32/69/52/571326952.db2.gz FRMWPGCYADWBPL-CYBMUJFWSA-N 0 0 368.849 4.413 50 30 FIEARN Cc1sc(NC(=O)c2ccc(N3CCCCCC3)nc2)c(C#N)c1C ZINC000095349490 571328885 /nfs/dbraw/zinc/32/88/85/571328885.db2.gz HENOJDOHMILWPF-UHFFFAOYSA-N 0 0 354.479 4.264 50 30 FIEARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccccc1SCCC#N ZINC000095953559 571332829 /nfs/dbraw/zinc/33/28/29/571332829.db2.gz SNTUNODADSKHGW-UHFFFAOYSA-N 0 0 364.421 4.082 50 30 FIEARN COc1cc(C(=O)/C=C\c2cnn(-c3ccc(Cl)cc3)c2)ccc1O ZINC000096179243 571334778 /nfs/dbraw/zinc/33/47/78/571334778.db2.gz BNTIXUJUBXTYDV-WAPJZHGLSA-N 0 0 354.793 4.136 50 30 FIEARN C=CCn1c(SCc2ccc(C(=O)NCC(C)C)cc2)nnc1C(C)C ZINC000096292030 571335108 /nfs/dbraw/zinc/33/51/08/571335108.db2.gz DOALXBHNYNARRX-UHFFFAOYSA-N 0 0 372.538 4.266 50 30 FIEARN O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000096310727 571335248 /nfs/dbraw/zinc/33/52/48/571335248.db2.gz PIGRZDXPSGFVKE-IHWYPQMZSA-N 0 0 368.439 4.099 50 30 FIEARN CCCCN(C(=O)COc1ccccc1C#N)c1nc2ccccc2s1 ZINC000002640793 571339853 /nfs/dbraw/zinc/33/98/53/571339853.db2.gz NMJCUXVLDZVMMJ-UHFFFAOYSA-N 0 0 365.458 4.380 50 30 FIEARN C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1O ZINC000057788855 571345398 /nfs/dbraw/zinc/34/53/98/571345398.db2.gz ZVRSKIRLPGKKOH-VQHVLOKHSA-N 0 0 354.402 4.043 50 30 FIEARN CC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003326412 571347481 /nfs/dbraw/zinc/34/74/81/571347481.db2.gz PSIBZIPJXVPIKF-UHFFFAOYSA-N 0 0 370.408 4.445 50 30 FIEARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1sccc1C#N ZINC000003358184 571348324 /nfs/dbraw/zinc/34/83/24/571348324.db2.gz PUWCGWJBMLWIHU-UHFFFAOYSA-N 0 0 370.503 4.356 50 30 FIEARN N#Cc1cccc(C(=O)N2CCS[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000217630709 571349406 /nfs/dbraw/zinc/34/94/06/571349406.db2.gz AIQRLRPNGIWMHE-QGZVFWFLSA-N 0 0 362.376 4.465 50 30 FIEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000003911133 571353226 /nfs/dbraw/zinc/35/32/26/571353226.db2.gz USEALLCEMCVLRJ-XVNBXDOJSA-N 0 0 355.733 4.251 50 30 FIEARN Cc1nc(C#N)c(NCc2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000606422478 571353444 /nfs/dbraw/zinc/35/34/44/571353444.db2.gz UBBBGDXJAHWOTD-UHFFFAOYSA-N 0 0 355.401 4.320 50 30 FIEARN COc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008141492 571359456 /nfs/dbraw/zinc/35/94/56/571359456.db2.gz VJFKVVURLQDMGU-ZDUSSCGKSA-N 0 0 369.490 4.336 50 30 FIEARN CC[N+](C)(CC)CCCC(=N[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000254312310 717170706 /nfs/dbraw/zinc/17/07/06/717170706.db2.gz JDCWTWUPZWPUDT-UHFFFAOYSA-O 0 0 355.502 4.019 50 30 FIEARN CC(C)CCNC(=O)/C(=C\c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000050647534 1082272449 /nfs/dbraw/zinc/27/24/49/1082272449.db2.gz JBKNWMPCNZPNCF-AQTBWJFISA-N 0 0 358.445 4.137 50 30 FIEARN Cc1cnc(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000581806722 1084619671 /nfs/dbraw/zinc/61/96/71/1084619671.db2.gz WAHMKCMJWFTWQY-NRFANRHFSA-N 0 0 370.456 4.208 50 30 FIEARN O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1nncn1C1CC1 ZINC000329133022 1090087508 /nfs/dbraw/zinc/08/75/08/1090087508.db2.gz YRJQRQQFQDYYJZ-UHFFFAOYSA-N 0 0 364.453 4.299 50 30 FIEARN Cc1cc2ncc(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)c(C)n2n1 ZINC000329289014 1090352134 /nfs/dbraw/zinc/35/21/34/1090352134.db2.gz QGEYNDNJLLDZPV-CYBMUJFWSA-N 0 0 360.870 4.443 50 30 FIEARN Cc1cc2ncc(C(=O)N[C@H]3CCCc4sc(Cl)cc43)c(C)n2n1 ZINC000329289017 1090352333 /nfs/dbraw/zinc/35/23/33/1090352333.db2.gz QGEYNDNJLLDZPV-ZDUSSCGKSA-N 0 0 360.870 4.443 50 30 FIEARN CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H]3c3cccs3)cn21 ZINC000330004840 1091136098 /nfs/dbraw/zinc/13/60/98/1091136098.db2.gz CVVBRRZDXASAKC-AWEZNQCLSA-N 0 0 355.467 4.297 50 30 FIEARN CC[C@H](C)[C@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)C(F)(F)F ZINC000331190172 1091199654 /nfs/dbraw/zinc/19/96/54/1091199654.db2.gz KXLNQMDRYYMPKP-MJBXVCDLSA-N 0 0 360.424 4.321 50 30 FIEARN CC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2C)C1=O ZINC000004954861 1091358861 /nfs/dbraw/zinc/35/88/61/1091358861.db2.gz LUNBIPKQPZWQIZ-QPNCIOBRSA-N 0 0 357.504 4.301 50 30 FIEARN COc1ccc2c(c1)[C@@H](C(=O)N(CC#N)c1ccc(Cl)cc1)CCC2 ZINC000594053942 1095049707 /nfs/dbraw/zinc/04/97/07/1095049707.db2.gz SGUOSBJYYRDNTH-SFHVURJKSA-N 0 0 354.837 4.325 50 30 FIEARN COc1ccc(-n2c(C)cc(-c3csc(N=CN(C)C)n3)c2C)cc1 ZINC000254816830 1114452778 /nfs/dbraw/zinc/45/27/78/1114452778.db2.gz RVUHAPGKYJAVSP-UHFFFAOYSA-N 0 0 354.479 4.448 50 30 FIEARN COc1ccc(C(=O)/C=C/c2cc(Br)cs2)cc1OC ZINC000005129381 1115096460 /nfs/dbraw/zinc/09/64/60/1115096460.db2.gz FMGYUNJULISEML-SNAWJCMRSA-N 0 0 353.237 4.424 50 30 FIEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C1\Oc2cc(O)ccc2C1=O ZINC000032853630 1121515992 /nfs/dbraw/zinc/51/59/92/1121515992.db2.gz SZPAPQHQSNUUOH-NHDPSOOVSA-N 0 0 360.413 4.178 50 30 FIEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C ZINC000000703370 210263081 /nfs/dbraw/zinc/26/30/81/210263081.db2.gz XUIOIAJBMNTJHK-LBPRGKRZSA-N 0 0 354.475 4.379 50 30 FIEARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000000672415 210261445 /nfs/dbraw/zinc/26/14/45/210261445.db2.gz RZICSKIAYKYEBB-FYJGNVAPSA-N 0 0 370.405 4.083 50 30 FIEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000000665494 210260025 /nfs/dbraw/zinc/26/00/25/210260025.db2.gz PYNPFPVRXHFVOK-UHFFFAOYSA-N 0 0 373.202 4.016 50 30 FIEARN CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000000636385 210254436 /nfs/dbraw/zinc/25/44/36/210254436.db2.gz VWFQANPLQPVOFH-UHFFFAOYSA-N 0 0 369.428 4.047 50 30 FIEARN CC(=O)Nc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000631171 210253819 /nfs/dbraw/zinc/25/38/19/210253819.db2.gz DMXDBIQEXFYEGH-UHFFFAOYSA-N 0 0 355.401 4.370 50 30 FIEARN CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000000626194 210251801 /nfs/dbraw/zinc/25/18/01/210251801.db2.gz RJSWAFKEXXXFLF-FQEVSTJZSA-N 0 0 367.420 4.337 50 30 FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)o1 ZINC000013656046 210234083 /nfs/dbraw/zinc/23/40/83/210234083.db2.gz YMUCZYAOTJBNPJ-ULLJOTHFSA-N 0 0 367.445 4.388 50 30 biogenic FIEARN CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000227196188 210177498 /nfs/dbraw/zinc/17/74/98/210177498.db2.gz BOSYLVLSCRTKPW-HBMCJLEFSA-N 0 0 373.843 4.456 50 30 FIEARN C=CCN(CC=C)c1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn21 ZINC000035477195 210170294 /nfs/dbraw/zinc/17/02/94/210170294.db2.gz VTOOKSSYPUUHNE-UHFFFAOYSA-N 0 0 368.444 4.032 50 30 FIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711744 210170311 /nfs/dbraw/zinc/17/03/11/210170311.db2.gz IDTQQEFDQACKRN-UHFFFAOYSA-N 0 0 350.443 4.305 50 30 FIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cccnc2)cc1 ZINC000028922922 210166730 /nfs/dbraw/zinc/16/67/30/210166730.db2.gz PUODRCSGWUFESN-JOCHJYFZSA-N 0 0 371.440 4.413 50 30 FIEARN CC(=O)Nc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000022754226 210159720 /nfs/dbraw/zinc/15/97/20/210159720.db2.gz QRJJPDVCOWDMHP-UHFFFAOYSA-N 0 0 360.438 4.359 50 30 FIEARN C=CCn1c2nc(-c3cccs3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604813 210157344 /nfs/dbraw/zinc/15/73/44/210157344.db2.gz ITQDFWPDTKZZMV-UHFFFAOYSA-N 0 0 351.403 4.306 50 30 FIEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000002502224 210151328 /nfs/dbraw/zinc/15/13/28/210151328.db2.gz FDQQSMIPFHRVHN-UHFFFAOYSA-N 0 0 374.893 4.448 50 30 FIEARN C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(C)cc1 ZINC000016753033 210146455 /nfs/dbraw/zinc/14/64/55/210146455.db2.gz FVDJDERAYPTZGL-QFIPXVFZSA-N 0 0 373.456 4.439 50 30 FIEARN C=CCOc1ccc(-c2nn3c(nnc3-c3ccc(OC)cc3)s2)cc1 ZINC000013956915 210143151 /nfs/dbraw/zinc/14/31/51/210143151.db2.gz VQIWQNHONNLNFW-UHFFFAOYSA-N 0 0 364.430 4.093 50 30 FIEARN C=CCN(C(=O)Nc1ccc(F)cc1C#N)c1nc2c(s1)CCCC2 ZINC000012752425 210142544 /nfs/dbraw/zinc/14/25/44/210142544.db2.gz QQVNMEQZYDSHBH-UHFFFAOYSA-N 0 0 356.426 4.257 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CC=CCC3)c2)c1 ZINC000012883097 210142356 /nfs/dbraw/zinc/14/23/56/210142356.db2.gz QUHYWIAPLOXQJS-LJQANCHMSA-N 0 0 359.425 4.168 50 30 FIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000012940648 210141589 /nfs/dbraw/zinc/14/15/89/210141589.db2.gz NHYRRZPFBXGFRL-UHFFFAOYSA-N 0 0 374.897 4.128 50 30 FIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000012652854 210141355 /nfs/dbraw/zinc/14/13/55/210141355.db2.gz RPGMPEIFNIZHQU-LJQANCHMSA-N 0 0 363.392 4.194 50 30 FIEARN C=CCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccccc1 ZINC000012419223 210140109 /nfs/dbraw/zinc/14/01/09/210140109.db2.gz LYBOMSIVMPEHEZ-UHFFFAOYSA-N 0 0 354.431 4.081 50 30 FIEARN C=CCNc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(OC)n1 ZINC000006727281 210108909 /nfs/dbraw/zinc/10/89/09/210108909.db2.gz JOIWYMHXUPPSGS-UHFFFAOYSA-N 0 0 374.404 4.030 50 30 FIEARN C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(Cl)cc2)SC1=S ZINC000006295708 210107950 /nfs/dbraw/zinc/10/79/50/210107950.db2.gz 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Cc1c(C#N)c(NC(=O)c2ccc(C)cc2)sc1C(=O)N1CCCCC1 ZINC000000817967 210276349 /nfs/dbraw/zinc/27/63/49/210276349.db2.gz RLCXSMBGRRQDJA-UHFFFAOYSA-N 0 0 367.474 4.115 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)/C=C/c3ccco3)c2)c1 ZINC000032905878 220694278 /nfs/dbraw/zinc/69/42/78/220694278.db2.gz FAVCUKODLRDLIS-OUKQBFOZSA-N 0 0 371.392 4.118 50 30 FIEARN N#Cc1cccc(CN2CCN(c3ccc4cc(Cl)ccc4n3)CC2)c1 ZINC000065373424 221205623 /nfs/dbraw/zinc/20/56/23/221205623.db2.gz QUDWOZPNPOWGBC-UHFFFAOYSA-N 0 0 362.864 4.082 50 30 FIEARN COc1ccc([C@H]2C[C@]2(C#N)c2nc3ccccc3[nH]2)cc1OC(F)F ZINC000067172440 221249164 /nfs/dbraw/zinc/24/91/64/221249164.db2.gz BFTABJNOIXSNJQ-CWTRNNRKSA-N 0 0 355.344 4.122 50 30 FIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNc2ccccc2)cc1 ZINC000067317221 221251665 /nfs/dbraw/zinc/25/16/65/221251665.db2.gz DMWDLQDRMNIIAV-RCCKNPSSSA-N 0 0 365.458 4.242 50 30 FIEARN Cc1ccc(C#N)c(NCc2cccnc2Oc2ccc(F)cc2F)n1 ZINC000067740379 221279007 /nfs/dbraw/zinc/27/90/07/221279007.db2.gz 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FIEARN COc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000097385852 222177429 /nfs/dbraw/zinc/17/74/29/222177429.db2.gz JDSNHAKLXJLVQN-CAOOACKPSA-N 0 0 374.227 4.475 50 30 FIEARN N#Cc1c(NC(=S)NC(=O)C=Cc2cccs2)sc2c1CCCC2 ZINC000097405351 222178798 /nfs/dbraw/zinc/17/87/98/222178798.db2.gz DUKGFUOQNYZWLB-FPLPWBNLSA-N 0 0 373.528 4.086 50 30 FIEARN CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000097466947 222183406 /nfs/dbraw/zinc/18/34/06/222183406.db2.gz ZPCASMUDJQCSBR-HATACVMWSA-N 0 0 356.422 4.458 50 30 FIEARN N#Cc1c(COC(=O)/C=C\c2c(F)cccc2Cl)cn2ccccc12 ZINC000098003456 222219746 /nfs/dbraw/zinc/21/97/46/222219746.db2.gz YJKFADGLEHXFCA-FPLPWBNLSA-N 0 0 354.768 4.360 50 30 FIEARN O=S(=O)(c1ccc(/N=C/c2ccccc2Cl)cc1)N1CCCCC1 ZINC000100038002 222232680 /nfs/dbraw/zinc/23/26/80/222232680.db2.gz KHAAAGUUHZNBLZ-XSFVSMFZSA-N 0 0 362.882 4.265 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccnc1 ZINC000100152141 222237579 /nfs/dbraw/zinc/23/75/79/222237579.db2.gz 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CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 ZINC000102674728 222304280 /nfs/dbraw/zinc/30/42/80/222304280.db2.gz FEAUWCGFLYHOEV-ZLNRFVROSA-N 0 0 363.457 4.085 50 30 FIEARN O=C(/N=C1/SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102971864 222317103 /nfs/dbraw/zinc/31/71/03/222317103.db2.gz UAEFJQYIQMJHKM-KNTRCKAVSA-N 0 0 365.241 4.270 50 30 FIEARN Cn1c(SCc2ccc(F)c(C#N)c2)nnc1-c1cccc(Cl)c1 ZINC000124956929 222529361 /nfs/dbraw/zinc/52/93/61/222529361.db2.gz RHBGMICIZSWFQX-UHFFFAOYSA-N 0 0 358.829 4.439 50 30 FIEARN N#CCCSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000002616208 263325834 /nfs/dbraw/zinc/32/58/34/263325834.db2.gz TVYJANYDUDBWMR-UHFFFAOYSA-N 0 0 352.438 4.333 50 30 FIEARN C=CCn1c(=O)c2ccccc2nc1SCCOc1ccccc1Cl ZINC000002655961 263326603 /nfs/dbraw/zinc/32/66/03/263326603.db2.gz BXKQVBCPPPXBTQ-UHFFFAOYSA-N 0 0 372.877 4.407 50 30 FIEARN CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(OC)c(OC)c2)cc1 ZINC000004651781 263335223 /nfs/dbraw/zinc/33/52/23/263335223.db2.gz KQUWFOOIOCRWDR-KGENOOAVSA-N 0 0 357.406 4.074 50 30 FIEARN CCCC/N=C1/S/C(=C/C(=O)Nc2ccccc2)C(=O)N1CCCC ZINC000004704098 263336371 /nfs/dbraw/zinc/33/63/71/263336371.db2.gz CHIUSMYPPBWZIX-AEHPWRMBSA-N 0 0 359.495 4.041 50 30 FIEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005186139 263339443 /nfs/dbraw/zinc/33/94/43/263339443.db2.gz XYBZGSLNQHULJM-LVKJFYNQSA-N 0 0 369.376 4.317 50 30 FIEARN N#C[C@@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccc(F)cc1 ZINC000005341148 263340239 /nfs/dbraw/zinc/34/02/39/263340239.db2.gz NJPPKTXZBNARBI-UONOGXRCSA-N 0 0 372.446 4.055 50 30 FIEARN N#Cc1cccc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000007393615 263351566 /nfs/dbraw/zinc/35/15/66/263351566.db2.gz GJZWYQUEYJAAHW-UHFFFAOYSA-N 0 0 356.381 4.072 50 30 FIEARN CNC(=S)N=NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000011990340 263369287 /nfs/dbraw/zinc/36/92/87/263369287.db2.gz XYUVJUYGEMIILY-FSJBWODESA-N 0 0 367.449 4.397 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000022108315 263384755 /nfs/dbraw/zinc/38/47/55/263384755.db2.gz XTTXOJFKPVNGKM-BQYQJAHWSA-N 0 0 362.769 4.074 50 30 FIEARN COc1cc(/C=C\C(=O)c2cccc(Br)c2)ccc1OCC#N ZINC000033530448 263396561 /nfs/dbraw/zinc/39/65/61/263396561.db2.gz RRMDPPSPYPLQIT-ALCCZGGFSA-N 0 0 372.218 4.256 50 30 FIEARN COc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000097993094 263432711 /nfs/dbraw/zinc/43/27/11/263432711.db2.gz NKJOMLLBLABWES-QXMHVHEDSA-N 0 0 362.429 4.402 50 30 FIEARN C=CCN(C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1)C(C)C ZINC000067851930 518740014 /nfs/dbraw/zinc/74/00/14/518740014.db2.gz JKVNMCVYBKZLDT-UHFFFAOYSA-N 0 0 371.462 4.208 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)NC1CCCCC1 ZINC000007781739 518796333 /nfs/dbraw/zinc/79/63/33/518796333.db2.gz QQDPKBBFQJGRND-UHFFFAOYSA-N 0 0 354.454 4.075 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000003485317 519231725 /nfs/dbraw/zinc/23/17/25/519231725.db2.gz HWRJQHYAFKZUIB-UHFFFAOYSA-N 0 0 353.422 4.245 50 30 FIEARN C=CCn1c2ccccc2nc1SCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004485668 519267278 /nfs/dbraw/zinc/26/72/78/519267278.db2.gz RRPUUKGWUSFTAZ-CQSZACIVSA-N 0 0 369.465 4.331 50 30 FIEARN C=CCn1cnn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S ZINC000008147086 519285334 /nfs/dbraw/zinc/28/53/34/519285334.db2.gz PLEFROAGJIHUOV-CQSZACIVSA-N 0 0 371.535 4.047 50 30 FIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020518900 520417632 /nfs/dbraw/zinc/41/76/32/520417632.db2.gz PHLDXMGMIUOAAQ-MOSHPQCFSA-N 0 0 367.445 4.249 50 30 FIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O ZINC000009419734 520516764 /nfs/dbraw/zinc/51/67/64/520516764.db2.gz LSNCIJHFSWGWTE-UNOMPAQXSA-N 0 0 367.401 4.152 50 30 FIEARN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc(F)c1 ZINC000004320998 520621676 /nfs/dbraw/zinc/62/16/76/520621676.db2.gz OMHOQFSAIDQNDY-LICLKQGHSA-N 0 0 355.365 4.120 50 30 FIEARN CCOc1ccc(CN=Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000004859990 520854706 /nfs/dbraw/zinc/85/47/06/520854706.db2.gz YZZULODJRMARHC-HZHRSRAPSA-N 0 0 361.449 4.242 50 30 FIEARN COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2Cl)ccc1O ZINC000096792757 522052058 /nfs/dbraw/zinc/05/20/58/522052058.db2.gz MSTSMYKFPSDUAA-LUAWRHEFSA-N 0 0 368.820 4.444 50 30 FIEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000004837206 523439709 /nfs/dbraw/zinc/43/97/09/523439709.db2.gz NBFCOQPCJZJWQI-KEBDBYFISA-N 0 0 373.865 4.349 50 30 FIEARN COC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1cccs1 ZINC000008868762 523477674 /nfs/dbraw/zinc/47/76/74/523477674.db2.gz QXDHEOAXXUBOQF-RQZCQDPDSA-N 0 0 374.447 4.202 50 30 FIEARN COc1ccc(C(=O)C(=CNc2ccc(F)cc2)C(=O)C(F)(F)F)cc1 ZINC000100862393 523536793 /nfs/dbraw/zinc/53/67/93/523536793.db2.gz HZROHCNYOCYGOT-GDNBJRDFSA-N 0 0 367.298 4.144 50 30 FIEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 ZINC000005959364 523773669 /nfs/dbraw/zinc/77/36/69/523773669.db2.gz OOTITHICCZEDMR-ODLFYWEKSA-N 0 0 362.337 4.124 50 30 biogenic FIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2C2CC2)cc1 ZINC000074343377 524668949 /nfs/dbraw/zinc/66/89/49/524668949.db2.gz NAMQVLMKIRENAW-GOSISDBHSA-N 0 0 361.474 4.210 50 30 FIEARN COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OC(C)C ZINC000005129797 525762554 /nfs/dbraw/zinc/76/25/54/525762554.db2.gz IIJNQFFFCHXCQB-VQHVLOKHSA-N 0 0 354.402 4.150 50 30 FIEARN COc1cccc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)c1 ZINC000034696873 525769666 /nfs/dbraw/zinc/76/96/66/525769666.db2.gz JYFJRCDEQVLCJI-WDZFZDKYSA-N 0 0 352.459 4.305 50 30 FIEARN COc1cccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000004856177 525773382 /nfs/dbraw/zinc/77/33/82/525773382.db2.gz ABWRYOKZXQTYME-YDZHTSKRSA-N 0 0 355.401 4.146 50 30 FIEARN Oc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000239025325 526355834 /nfs/dbraw/zinc/35/58/34/526355834.db2.gz BKKCNGXHXBGRNZ-UHFFFAOYSA-N 0 0 365.245 4.128 50 30 FIEARN N#CCCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000005171670 526445859 /nfs/dbraw/zinc/44/58/59/526445859.db2.gz RKACDZJGVYAMQS-VHEBQXMUSA-N 0 0 354.326 4.312 50 30 FIEARN N#CCCSc1ccccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000017177927 526463421 /nfs/dbraw/zinc/46/34/21/526463421.db2.gz FQVAHYMRPROTKE-FLIBITNWSA-N 0 0 353.403 4.252 50 30 FIEARN N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccccc2)n1 ZINC000096013310 526509250 /nfs/dbraw/zinc/50/92/50/526509250.db2.gz IJLFPPRGUXDYGK-HNNXBMFYSA-N 0 0 370.380 4.380 50 30 FIEARN O=C(CCc1c[nH]c2ccccc12)N1CCS/C1=N\Cc1ccccc1 ZINC000003408663 526578186 /nfs/dbraw/zinc/57/81/86/526578186.db2.gz TYGFONJWOMPUQC-LNVKXUELSA-N 0 0 363.486 4.232 50 30 FIEARN Cc1nc(C)c(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)o2)s1 ZINC000040051710 526687707 /nfs/dbraw/zinc/68/77/07/526687707.db2.gz CNHDUWIXTCXYJW-CQSZACIVSA-N 0 0 356.476 4.345 50 30 FIEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccc(Cl)c1 ZINC000004899096 526814325 /nfs/dbraw/zinc/81/43/25/526814325.db2.gz MKMKZLHPDGQFNF-UHFFFAOYSA-N 0 0 357.624 4.319 50 30 FIEARN Cc1nc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nc(C)c1C ZINC000032666579 527015594 /nfs/dbraw/zinc/01/55/94/527015594.db2.gz ADJDVZFYWULRSC-ODLFYWEKSA-N 0 0 367.518 4.375 50 30 FIEARN Cc1nc(S[C@@H](C#N)Cc2ccc(C)cc2)n(C[C@@H]2CCCO2)c1C ZINC000032724403 527021504 /nfs/dbraw/zinc/02/15/04/527021504.db2.gz PQOALOLNJSUTRT-RBUKOAKNSA-N 0 0 355.507 4.214 50 30 FIEARN O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(NC2=NCCCS2)cc1 ZINC000006366514 527629619 /nfs/dbraw/zinc/62/96/19/527629619.db2.gz MXWCXMBJAVZVHN-BJMVGYQFSA-N 0 0 367.430 4.205 50 30 FIEARN O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1 ZINC000096931835 527654646 /nfs/dbraw/zinc/65/46/46/527654646.db2.gz MGVYYAVYPADBAM-TWGQIWQCSA-N 0 0 361.363 4.438 50 30 FIEARN COc1ccccc1N1CCN(/N=C\c2ccc(Cl)c(Cl)c2)CC1 ZINC000005058989 537062636 /nfs/dbraw/zinc/06/26/36/537062636.db2.gz ZOQOZUCGTQVCQN-BKUYFWCQSA-N 0 0 364.276 4.158 50 30 FIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(Cl)cc2F)[C@@H]1C1CCCCC1 ZINC000003952070 560191683 /nfs/dbraw/zinc/19/16/83/560191683.db2.gz VQNLJXWZGVRLBA-MRXNPFEDSA-N 0 0 351.805 4.176 50 30 in-vitro FIEARN CC(C)c1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347569 568283791 /nfs/dbraw/zinc/28/37/91/568283791.db2.gz WEDOSOKPIVSJKO-MRXNPFEDSA-N 0 0 351.450 4.439 50 30 FIEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NC(=S)Nc2ccccc2)o1 ZINC000000824992 568307900 /nfs/dbraw/zinc/30/79/00/568307900.db2.gz YSBYVEAOCRILDW-XDHOZWIPSA-N 0 0 366.402 4.175 50 30 FIEARN C=CCC(CC=C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002866945 568352664 /nfs/dbraw/zinc/35/26/64/568352664.db2.gz KEVIWJIUTLFFFZ-UHFFFAOYSA-N 0 0 350.418 4.415 50 30 FIEARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc(C#N)c1 ZINC000011459576 570449123 /nfs/dbraw/zinc/44/91/23/570449123.db2.gz CVHXCNNUGXKILO-UHFFFAOYSA-N 0 0 373.441 4.304 50 30 FIEARN COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1OC ZINC000002176439 570516305 /nfs/dbraw/zinc/51/63/05/570516305.db2.gz NJKFXXJNMHKTQM-UHFFFAOYSA-N 0 0 359.381 4.294 50 30 biogenic FIEARN COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000002483881 570522409 /nfs/dbraw/zinc/52/24/09/570522409.db2.gz JANRNVVSRSVHGD-FPOVZHCZSA-N 0 0 357.409 4.101 50 30 FIEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000072162884 570526394 /nfs/dbraw/zinc/52/63/94/570526394.db2.gz FRAAGXRWQKSAMD-LJQANCHMSA-N 0 0 368.436 4.447 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(F)c1 ZINC000004918223 570559346 /nfs/dbraw/zinc/55/93/46/570559346.db2.gz ZZDMYNIDQBXGJC-TZIWHRDSSA-N 0 0 368.404 4.154 50 30 FIEARN C[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004935880 570562389 /nfs/dbraw/zinc/56/23/89/570562389.db2.gz QDNYYBSBHHRRTN-LOVXZMAPSA-N 0 0 363.442 4.287 50 30 FIEARN Cc1cnc(C(=O)NCC2(c3ccc(Br)s3)CCC2)cn1 ZINC000329109686 570565916 /nfs/dbraw/zinc/56/59/16/570565916.db2.gz QBGFKHDNFSADLD-UHFFFAOYSA-N 0 0 366.284 4.036 50 30 FIEARN CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004950803 570566501 /nfs/dbraw/zinc/56/65/01/570566501.db2.gz ACPSFEZTRFDYIT-NVHJWRPJSA-N 0 0 369.465 4.378 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccsc1 ZINC000003883274 570569591 /nfs/dbraw/zinc/56/95/91/570569591.db2.gz XVYHFTUSYDJUNR-LPHOPBHVSA-N 0 0 356.443 4.076 50 30 FIEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(C)=O ZINC000003904914 570571380 /nfs/dbraw/zinc/57/13/80/570571380.db2.gz JFBBETBZJKIRAQ-JOCHJYFZSA-N 0 0 362.429 4.222 50 30 FIEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000003904694 570571505 /nfs/dbraw/zinc/57/15/05/570571505.db2.gz HAMSECHKBDPAGC-FQEVSTJZSA-N 0 0 350.418 4.443 50 30 FIEARN CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2=C1CC(C)(C)CC2=O ZINC000004009257 570572771 /nfs/dbraw/zinc/57/27/71/570572771.db2.gz FLMIAZRHVNFAFG-HNNXBMFYSA-N 0 0 352.356 4.045 50 30 FIEARN COc1ccc(/C=C/C=N/n2c(SC)nnc2-c2ccccc2)cc1 ZINC000004302741 570583987 /nfs/dbraw/zinc/58/39/87/570583987.db2.gz GAMKVIYNKLLUBV-WTOFFKHVSA-N 0 0 350.447 4.223 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000004624562 570597994 /nfs/dbraw/zinc/59/79/94/570597994.db2.gz GVKGMJCOYFQOJF-QGZVFWFLSA-N 0 0 359.853 4.117 50 30 FIEARN O=C(/C=C/c1cccc(Cl)c1)c1cc(Br)ccc(=O)c1O ZINC000004667465 570600228 /nfs/dbraw/zinc/60/02/28/570600228.db2.gz IWUQVYPVUROZLW-GQCTYLIASA-N 0 0 365.610 4.064 50 30 FIEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)cc1 ZINC000004704670 570602287 /nfs/dbraw/zinc/60/22/87/570602287.db2.gz BTXCKRSRRFSSBN-GHRIWEEISA-N 0 0 367.474 4.334 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000004728204 570603726 /nfs/dbraw/zinc/60/37/26/570603726.db2.gz KARFZLBAWUDXJD-QGZVFWFLSA-N 0 0 359.853 4.117 50 30 FIEARN Cc1cc(C)c(NC(=NS(=O)(=O)c2ccccc2)C(F)(F)F)c(C)c1 ZINC000004881205 570612292 /nfs/dbraw/zinc/61/22/92/570612292.db2.gz LDJGFMZDGJGFPR-UHFFFAOYSA-N 0 0 370.396 4.373 50 30 FIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004916048 570614001 /nfs/dbraw/zinc/61/40/01/570614001.db2.gz MUVMMCBVNFXELM-GDBMZVCRSA-N 0 0 367.470 4.151 50 30 FIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004916035 570614037 /nfs/dbraw/zinc/61/40/37/570614037.db2.gz MUVMMCBVNFXELM-ZBFHGGJFSA-N 0 0 367.470 4.151 50 30 FIEARN O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1 ZINC000002182034 570618737 /nfs/dbraw/zinc/61/87/37/570618737.db2.gz OXJRAKCTMRITHZ-WJTDDFOZSA-N 0 0 367.452 4.170 50 30 FIEARN CCOC(=O)C(=NNc1ccccc1)Sc1nc2ccccc2s1 ZINC000252639863 570624631 /nfs/dbraw/zinc/62/46/31/570624631.db2.gz YOILRDSDOOZOGG-UHFFFAOYSA-N 0 0 357.460 4.377 50 30 FIEARN N#CCc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000005165356 570624640 /nfs/dbraw/zinc/62/46/40/570624640.db2.gz KQEGPNGWPDPUCG-UHFFFAOYSA-N 0 0 356.838 4.013 50 30 FIEARN N=C(NN=Cc1ccc2ccccc2c1)NN=Cc1ccc2ccccc2c1 ZINC000005740180 570634595 /nfs/dbraw/zinc/63/45/95/570634595.db2.gz ZPEGYOWCEYFZHH-RYQLWAFASA-N 0 0 365.440 4.475 50 30 FIEARN Cc1c2ccccc2oc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000005310900 570647001 /nfs/dbraw/zinc/64/70/01/570647001.db2.gz JZIGWLPDTJPRKE-UHFFFAOYSA-N 0 0 368.776 4.062 50 30 FIEARN COc1ccccc1-c1nnc(S[C@@H](C)C#N)n1CCc1ccccc1 ZINC000005362546 570650130 /nfs/dbraw/zinc/65/01/30/570650130.db2.gz SOFKJDVUQNSRED-HNNXBMFYSA-N 0 0 364.474 4.201 50 30 FIEARN O=C1C[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819524 570654824 /nfs/dbraw/zinc/65/48/24/570654824.db2.gz XXPJQOJDEVEDEU-GDBMZVCRSA-N 0 0 351.833 4.344 50 30 FIEARN CN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000003213121 570657676 /nfs/dbraw/zinc/65/76/76/570657676.db2.gz XDQNCHOESMAGEM-HNNXBMFYSA-N 0 0 352.356 4.045 50 30 FIEARN N#CCN1C(=S)N=C(Nc2cccc(C(F)(F)F)c2)C12CCCCC2 ZINC000005552137 570669355 /nfs/dbraw/zinc/66/93/55/570669355.db2.gz WSTIUDFXYGWOHR-UHFFFAOYSA-N 0 0 366.412 4.152 50 30 FIEARN CCCCCCCCCCCCn1nc(N2CCOCC2)sc1=N ZINC000008385594 570681201 /nfs/dbraw/zinc/68/12/01/570681201.db2.gz BHMCBUPXSDEHON-UHFFFAOYSA-N 0 0 354.564 4.182 50 30 FIEARN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)c1 ZINC000008410960 570681634 /nfs/dbraw/zinc/68/16/34/570681634.db2.gz UFTUGZIRDNEGQJ-YBEGLDIGSA-N 0 0 353.403 4.103 50 30 FIEARN CCCCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000008432416 570681958 /nfs/dbraw/zinc/68/19/58/570681958.db2.gz NKDBPSCVBPWTJS-UHFFFAOYSA-N 0 0 363.454 4.339 50 30 FIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000008743788 570687186 /nfs/dbraw/zinc/68/71/86/570687186.db2.gz LINVUFLTQHGQJC-HXUWFJFHSA-N 0 0 370.408 4.173 50 30 FIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000013653733 570782524 /nfs/dbraw/zinc/78/25/24/570782524.db2.gz YBGQPJXIGPRYRA-XACIZNRCSA-N 0 0 372.804 4.287 50 30 FIEARN O=C(C(=NN=c1nc[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000004536922 570819588 /nfs/dbraw/zinc/81/95/88/570819588.db2.gz HMUJDBGPRLAFAB-LKUDQCMESA-N 0 0 352.397 4.329 50 30 FIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000101661374 570822183 /nfs/dbraw/zinc/82/21/83/570822183.db2.gz XDZJWPVQLJGNOK-QFIPXVFZSA-N 0 0 372.509 4.466 50 30 FIEARN COc1ccc(OC)c(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000032905247 570843590 /nfs/dbraw/zinc/84/35/90/570843590.db2.gz VILAFVWDMFCBBM-UHFFFAOYSA-N 0 0 363.438 4.417 50 30 FIEARN Cn1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000210067224 570874250 /nfs/dbraw/zinc/87/42/50/570874250.db2.gz ULZPZDOMBLULFG-SEYXRHQNSA-N 0 0 354.413 4.169 50 30 FIEARN N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000010714844 570927124 /nfs/dbraw/zinc/92/71/24/570927124.db2.gz BTIDTJXSDDYOPL-UHFFFAOYSA-N 0 0 359.407 4.145 50 30 FIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Cl)c2)c1 ZINC000046130725 570928590 /nfs/dbraw/zinc/92/85/90/570928590.db2.gz NNIFMNWKXPVXII-GOSISDBHSA-N 0 0 371.868 4.025 50 30 FIEARN CC(C)c1cccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)c1 ZINC000046133237 570929386 /nfs/dbraw/zinc/92/93/86/570929386.db2.gz XMQQIKZTUOWIAM-HXUWFJFHSA-N 0 0 365.477 4.187 50 30 FIEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000005738740 570967525 /nfs/dbraw/zinc/96/75/25/570967525.db2.gz GSWGTCMMIARSJA-FBDWHROQSA-N 0 0 351.475 4.321 50 30 FIEARN Cc1ccc(N=C2C(=O)N[C@@H](c3ccccc3)C2C(=O)c2ccccc2)cc1 ZINC000027020002 571009710 /nfs/dbraw/zinc/00/97/10/571009710.db2.gz SGMHQZHNJOENOE-NRFANRHFSA-N 0 0 368.436 4.415 50 30 FIEARN CCCCCCCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(N)=O ZINC000008432417 571047066 /nfs/dbraw/zinc/04/70/66/571047066.db2.gz ONTPPYWWZNOYQO-UHFFFAOYSA-N 0 0 368.499 4.021 50 30 FIEARN N#Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 ZINC000008735260 571058452 /nfs/dbraw/zinc/05/84/52/571058452.db2.gz AWWNAAXBVVAELX-UHFFFAOYSA-N 0 0 353.328 4.063 50 30 FIEARN Cc1oc2nc(S[C@@H](C)C#N)nc(NC(=O)c3ccccc3)c2c1C ZINC000012738373 571060685 /nfs/dbraw/zinc/06/06/85/571060685.db2.gz YLFUTQFMNNAZJQ-JTQLQIEISA-N 0 0 352.419 4.096 50 30 FIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n1 ZINC000039525126 571064780 /nfs/dbraw/zinc/06/47/80/571064780.db2.gz ZGGQQMKXGCNASU-GFCCVEGCSA-N 0 0 373.444 4.407 50 30 FIEARN CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2ccc(Br)cc21 ZINC000035605884 571077731 /nfs/dbraw/zinc/07/77/31/571077731.db2.gz ZKJALZBXEBITSV-UHFFFAOYSA-N 0 0 363.211 4.283 50 30 FIEARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 ZINC000032996274 571084757 /nfs/dbraw/zinc/08/47/57/571084757.db2.gz BVQBAZAPLDNCNS-ZDUSSCGKSA-N 0 0 361.405 4.195 50 30 FIEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000008991048 571090185 /nfs/dbraw/zinc/09/01/85/571090185.db2.gz OJWZTHCZRAWGAL-IUXPMGMMSA-N 0 0 373.202 4.033 50 30 biogenic FIEARN Cc1ccc(C(C)C)c(OCCOc2ccc(C=Nc3nc[nH]n3)cc2)c1 ZINC000004599277 571101531 /nfs/dbraw/zinc/10/15/31/571101531.db2.gz DQNXZNZNDUGWOS-LPYMAVHISA-N 0 0 364.449 4.445 50 30 FIEARN CC(C)(C)C1CCC2(CC1)O[C@@]2(C(N)=O)c1nc(-c2ccccc2)cs1 ZINC000009419812 571108386 /nfs/dbraw/zinc/10/83/86/571108386.db2.gz RNXJOVVLTAVHBK-UJWQOHNOSA-N 0 0 370.518 4.496 50 30 FIEARN Cc1ccc([C@@H](NC(=O)COc2cccc(C#N)c2)c2cccs2)cc1 ZINC000012817891 571116158 /nfs/dbraw/zinc/11/61/58/571116158.db2.gz JPJJXKKYHBKKCD-OAQYLSRUSA-N 0 0 362.454 4.213 50 30 FIEARN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000012343882 571117989 /nfs/dbraw/zinc/11/79/89/571117989.db2.gz UKEQJOZPNQEQTM-WJDWOHSUSA-N 0 0 357.456 4.246 50 30 FIEARN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccs2)cc1 ZINC000010207389 571123327 /nfs/dbraw/zinc/12/33/27/571123327.db2.gz PQSKKWVIKNODGP-INIZCTEOSA-N 0 0 371.506 4.086 50 30 FIEARN CC(=O)c1ccc(C#CCOC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000003137759 571127277 /nfs/dbraw/zinc/12/72/77/571127277.db2.gz MOTMNHJKQXCXQU-UHFFFAOYSA-N 0 0 352.333 4.178 50 30 FIEARN N#Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000012831814 571128085 /nfs/dbraw/zinc/12/80/85/571128085.db2.gz OBRLOTYOHBCIJC-UHFFFAOYSA-N 0 0 353.328 4.063 50 30 FIEARN O=C(C=C1N[C@@H]2CCCC[C@@H]2NC1=CC(=O)c1ccccc1)c1ccccc1 ZINC000137506997 571137997 /nfs/dbraw/zinc/13/79/97/571137997.db2.gz RRRCNKSFZNYVIJ-WWVHPOBDSA-N 0 0 372.468 4.024 50 30 FIEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000022339488 571144098 /nfs/dbraw/zinc/14/40/98/571144098.db2.gz UOMMIYDQPWPBRB-RTWAWAEBSA-N 0 0 372.553 4.365 50 30 FIEARN C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccs1 ZINC000001072224 571145896 /nfs/dbraw/zinc/14/58/96/571145896.db2.gz HRZNSLDMHKJFEU-UHFFFAOYSA-N 0 0 355.448 4.021 50 30 FIEARN N#Cc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000004676982 571158231 /nfs/dbraw/zinc/15/82/31/571158231.db2.gz ONAIDIQCLFKGRV-UHFFFAOYSA-N 0 0 369.453 4.493 50 30 FIEARN Cc1cc(Nc2cc([N+](=O)[O-])ccc2[O-])n2c3ccccc3nc2c1C#N ZINC000075260196 571158544 /nfs/dbraw/zinc/15/85/44/571158544.db2.gz UEJFSTMJZJKVOU-UHFFFAOYSA-N 0 0 359.345 4.025 50 30 FIEARN O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000075271666 571158806 /nfs/dbraw/zinc/15/88/06/571158806.db2.gz CKOJGSGNWYHNKW-WIYYLYMNSA-N 0 0 359.385 4.173 50 30 FIEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 ZINC000006202357 571163132 /nfs/dbraw/zinc/16/31/32/571163132.db2.gz IYGABDWCMVZPIY-IBGZPJMESA-N 0 0 366.486 4.150 50 30 FIEARN N#Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1 ZINC000005937874 571168858 /nfs/dbraw/zinc/16/88/58/571168858.db2.gz JACUVQRZIMQRTD-UHFFFAOYSA-N 0 0 354.409 4.193 50 30 FIEARN CCc1cc(NC(=O)c2ccc(C#N)cc2)nn1-c1ccc(Cl)cc1 ZINC000034907371 571169234 /nfs/dbraw/zinc/16/92/34/571169234.db2.gz JMQAFQLJZPJESY-UHFFFAOYSA-N 0 0 350.809 4.212 50 30 FIEARN N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005971954 571169847 /nfs/dbraw/zinc/16/98/47/571169847.db2.gz UGANMUZEZLAPNC-UHFFFAOYSA-N 0 0 351.456 4.413 50 30 FIEARN C=CCn1cnnc1SCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000031617290 571171403 /nfs/dbraw/zinc/17/14/03/571171403.db2.gz GCIGXDFMCNCWBX-UHFFFAOYSA-N 0 0 351.431 4.231 50 30 FIEARN O=C1/C(=C/c2ccc3nccnc3c2)CC/C1=C\c1ccc2nccnc2c1 ZINC000003895010 571171725 /nfs/dbraw/zinc/17/17/25/571171725.db2.gz RXGXMEYYVLNDFF-JYFOCSDGSA-N 0 0 364.408 4.403 50 30 FIEARN N#CCCn1cc(C(=O)CSc2ncc3ccccn32)c2ccccc21 ZINC000012548113 571178608 /nfs/dbraw/zinc/17/86/08/571178608.db2.gz SACWUIAZTKEHMR-UHFFFAOYSA-N 0 0 360.442 4.178 50 30 FIEARN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCc1ccc(Cl)cc1 ZINC000035672450 571186802 /nfs/dbraw/zinc/18/68/02/571186802.db2.gz CRPHHLMILSVADK-UHFFFAOYSA-N 0 0 354.753 4.387 50 30 FIEARN COc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1CC#N ZINC000012600804 571189803 /nfs/dbraw/zinc/18/98/03/571189803.db2.gz HTLUHMSVPLLUEV-UHFFFAOYSA-N 0 0 353.403 4.039 50 30 FIEARN Cc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000023054940 571204576 /nfs/dbraw/zinc/20/45/76/571204576.db2.gz JKFTXEDFYZXOCO-UHFFFAOYSA-N 0 0 359.391 4.423 50 30 FIEARN O=C1N/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Cl)cc1 ZINC000005649535 571214399 /nfs/dbraw/zinc/21/43/99/571214399.db2.gz GGHAKSUARLJHQT-AWEZNQCLSA-N 0 0 351.258 4.455 50 30 FIEARN Clc1ccc(C=NNc2nc3ccccc3n3cnnc23)c(Cl)c1 ZINC000004792974 571236798 /nfs/dbraw/zinc/23/67/98/571236798.db2.gz RTIFXBPMEIOQHT-UFWORHAWSA-N 0 0 357.204 4.030 50 30 FIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2F)NC(=O)N1 ZINC000006763776 571245529 /nfs/dbraw/zinc/24/55/29/571245529.db2.gz OFIMMMBJLFFZNQ-INIZCTEOSA-N 0 0 362.763 4.129 50 30 FIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000036365698 571250191 /nfs/dbraw/zinc/25/01/91/571250191.db2.gz YXIFKTULFHZASL-GOSISDBHSA-N 0 0 361.376 4.147 50 30 FIEARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3C#N)nc2c1 ZINC000006908885 571254261 /nfs/dbraw/zinc/25/42/61/571254261.db2.gz FXHBLMGJMNUCEI-UHFFFAOYSA-N 0 0 356.838 4.127 50 30 FIEARN C=C(C)CN(CC)C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000065289735 571260688 /nfs/dbraw/zinc/26/06/88/571260688.db2.gz UEWYUPVGPIZYTG-UHFFFAOYSA-N 0 0 370.468 4.324 50 30 FIEARN Fc1ccc(-c2n[nH]cc2C=NN2CC(c3ccccc3)=NC2=S)cc1 ZINC000252452975 571278813 /nfs/dbraw/zinc/27/88/13/571278813.db2.gz SBAZLVAKSOYWIP-UHFFFAOYSA-N 0 0 363.421 4.250 50 30 FIEARN COc1ccc(OC)c(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000252457355 571278919 /nfs/dbraw/zinc/27/89/19/571278919.db2.gz BKKFQIWGMWYGTQ-MRXNPFEDSA-N 0 0 370.449 4.007 50 30 FIEARN Cc1ccc(NC(=S)NN=Cc2ccc(Br)s2)cc1 ZINC000252460775 571279019 /nfs/dbraw/zinc/27/90/19/571279019.db2.gz ICPIEUVVXTXVFT-UHFFFAOYSA-N 0 0 354.298 4.140 50 30 FIEARN NC(=O)c1c(N=Cc2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000252460453 571279026 /nfs/dbraw/zinc/27/90/26/571279026.db2.gz FMWVNLMFJDJZCR-UHFFFAOYSA-N 0 0 363.826 4.038 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1cccs1 ZINC000252481487 571280111 /nfs/dbraw/zinc/28/01/11/571280111.db2.gz CMZNMHNXJCJBHN-FXAWDEMLSA-N 0 0 370.470 4.466 50 30 FIEARN Oc1ccc(Br)cc1C=NNc1cccc(Br)c1 ZINC000252588823 571283796 /nfs/dbraw/zinc/28/37/96/571283796.db2.gz AEJKMXJOPSBXSL-UHFFFAOYSA-N 0 0 370.044 4.363 50 30 FIEARN COCCN1C(=O)/C(=C/c2cccc(C)c2)SC1=Nc1ccccc1 ZINC000252597571 571284484 /nfs/dbraw/zinc/28/44/84/571284484.db2.gz CSXQCLXEYHSURR-DOZOSFQVSA-N 0 0 352.459 4.245 50 30 FIEARN CCON=C(C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000252613907 571285883 /nfs/dbraw/zinc/28/58/83/571285883.db2.gz JELBDDXUKFNALO-UHFFFAOYSA-N 0 0 362.429 4.279 50 30 FIEARN Cn1c2ccccc2c2nnc(N=NCc3c(Cl)cccc3Cl)nc21 ZINC000252628743 571289391 /nfs/dbraw/zinc/28/93/91/571289391.db2.gz SWTMSJGXBLVSDI-UHFFFAOYSA-N 0 0 371.231 4.269 50 30 FIEARN CCOc1c(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cccc1OC ZINC000252636769 571291485 /nfs/dbraw/zinc/29/14/85/571291485.db2.gz XMNUTFIDJPVZCJ-DPFLMNNXSA-N 0 0 368.458 4.328 50 30 FIEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(C(C)(C)C)cc3)nc21 ZINC000252642366 571292081 /nfs/dbraw/zinc/29/20/81/571292081.db2.gz ZLJSKFYUYJXWDB-UHFFFAOYSA-N 0 0 358.449 4.260 50 30 FIEARN N#Cc1c[nH]c(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)c1 ZINC000215065788 571294673 /nfs/dbraw/zinc/29/46/73/571294673.db2.gz YJKRALJINQKIGA-UHFFFAOYSA-N 0 0 360.461 4.385 50 30 FIEARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccccc1C#N ZINC000028042981 571318845 /nfs/dbraw/zinc/31/88/45/571318845.db2.gz APVGRGYLCZAUPH-NSHDSACASA-N 0 0 369.273 4.247 50 30 FIEARN CCCCc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 ZINC000008021913 571320044 /nfs/dbraw/zinc/32/00/44/571320044.db2.gz OYHFXFGPNJYJQZ-UHFFFAOYSA-N 0 0 359.433 4.042 50 30 FIEARN CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426658174 571322174 /nfs/dbraw/zinc/32/21/74/571322174.db2.gz GCXXXTBIMXGIBM-IBGZPJMESA-N 0 0 352.409 4.005 50 30 FIEARN COc1nc(C)cc(C)c1CNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000328590405 571323513 /nfs/dbraw/zinc/32/35/13/571323513.db2.gz FOBVCVYJCYZOIE-UHFFFAOYSA-N 0 0 363.417 4.399 50 30 FIEARN N#Cc1cccc(-c2c[nH]c(CNc3ncnc4sc5c(c43)CCC5)n2)c1 ZINC000095456957 571330120 /nfs/dbraw/zinc/33/01/20/571330120.db2.gz XAMHKLQXGNZITF-UHFFFAOYSA-N 0 0 372.457 4.054 50 30 FIEARN Cn1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 ZINC000002768971 571340896 /nfs/dbraw/zinc/34/08/96/571340896.db2.gz UKRBLJSMRSLHJF-LHRNQBEKSA-N 0 0 368.506 4.156 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OCc1ccc(F)cc1 ZINC000002886724 571341503 /nfs/dbraw/zinc/34/15/03/571341503.db2.gz SXASFQQBQOZGKL-UHFFFAOYSA-N 0 0 350.187 4.438 50 30 FIEARN C=C(C)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230162577 571344550 /nfs/dbraw/zinc/34/45/50/571344550.db2.gz FGTGEPIDYOHVJH-JJXUHFIVSA-N 0 0 369.417 4.402 50 30 FIEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1cc2c(cc1Br)OCO2 ZINC000003086314 571344572 /nfs/dbraw/zinc/34/45/72/571344572.db2.gz QTOJSKVMNRFJMP-OWOJBTEDSA-N 0 0 373.162 4.128 50 30 FIEARN N#Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003131777 571344939 /nfs/dbraw/zinc/34/49/39/571344939.db2.gz AIRCMWWBMDSKHA-UHFFFAOYSA-N 0 0 362.621 4.286 50 30 FIEARN COc1cccc(-c2ccc(C#N)c(OC(=O)c3ccc(F)cc3F)n2)c1 ZINC000003128374 571344957 /nfs/dbraw/zinc/34/49/57/571344957.db2.gz PZDSWKVSYCROIM-UHFFFAOYSA-N 0 0 366.323 4.126 50 30 FIEARN O=C(/C=C/c1cccc(Br)c1)c1cc2ccccc2oc1=O ZINC000003911093 571353235 /nfs/dbraw/zinc/35/32/35/571353235.db2.gz KNMHRSXDMNYIGW-CMDGGOBGSA-N 0 0 355.187 4.452 50 30 FIEARN COc1cccc2cc(C(=O)/C=C/c3ccc(SC)cc3)c(=O)oc21 ZINC000003911105 571353274 /nfs/dbraw/zinc/35/32/74/571353274.db2.gz VMPVMUZLIJTMPA-DHZHZOJOSA-N 0 0 352.411 4.420 50 30 FIEARN COc1cc(CN=Nc2nccs2)ccc1OCc1ccccc1Cl ZINC000003961619 571353607 /nfs/dbraw/zinc/35/36/07/571353607.db2.gz AUGJZYMSSXGNJA-UHFFFAOYSA-N 0 0 373.865 4.252 50 30 FIEARN Cc1cc(C)c(C(=O)C(=Cc2ccc3c(c2)OCO3)c2ccccc2)c(=O)[nH]1 ZINC000004010020 571353920 /nfs/dbraw/zinc/35/39/20/571353920.db2.gz RRFWNLBIAHDZKI-WOJGMQOQSA-N 0 0 373.408 4.144 50 30 FIEARN CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000004139758 571356078 /nfs/dbraw/zinc/35/60/78/571356078.db2.gz OYZWLLDIFOWXQK-RGVLZGJSSA-N 0 0 354.435 4.223 50 30 FIEARN Cc1nc(SCC(=O)N2CCC[C@H]2c2cccs2)c(C#N)c(C)c1C ZINC000008133339 571359379 /nfs/dbraw/zinc/35/93/79/571359379.db2.gz MBCYLNRHCKJAPJ-INIZCTEOSA-N 0 0 371.531 4.396 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C\c1cccs1 ZINC000033636569 1086716044 /nfs/dbraw/zinc/71/60/44/1086716044.db2.gz NINLWFVPYHEYSD-UFVXGTKKSA-N 0 0 367.470 4.185 50 30 FIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(N(C)C)cc1 ZINC000097992856 1088705221 /nfs/dbraw/zinc/70/52/21/1088705221.db2.gz RISWVKXBQBNVID-POHAHGRESA-N 0 0 360.251 4.420 50 30 FIEARN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)o1 ZINC000328901913 1090032964 /nfs/dbraw/zinc/03/29/64/1090032964.db2.gz ZRPVCJKUGADNEJ-QGZVFWFLSA-N 0 0 370.478 4.240 50 30 FIEARN N#Cc1cc2c(nc1N1CCC(C(=O)c3ccc(Cl)cc3)CC1)CCC2 ZINC000328992756 1090066352 /nfs/dbraw/zinc/06/63/52/1090066352.db2.gz DOLHZNQDCCCGNS-UHFFFAOYSA-N 0 0 365.864 4.195 50 30 FIEARN CCn1ccnc1[C@H]1CCCCN1C(=O)NCC(C)(C)c1cccs1 ZINC000330267915 1091148165 /nfs/dbraw/zinc/14/81/65/1091148165.db2.gz IIYAAVWANQXFIQ-OAHLLOKOSA-N 0 0 360.527 4.383 50 30 FIEARN CC[C@H](C)[C@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)C(F)(F)F ZINC000331190171 1091199314 /nfs/dbraw/zinc/19/93/14/1091199314.db2.gz KXLNQMDRYYMPKP-IHRRRGAJSA-N 0 0 360.424 4.321 50 30 FIEARN C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2cc(C)n[nH]2)C1)c1ccc(F)c(F)c1 ZINC000332107364 1091703852 /nfs/dbraw/zinc/70/38/52/1091703852.db2.gz ACOJGDJOGQOJTC-BEFAXECRSA-N 0 0 374.435 4.203 50 30 FIEARN C=CCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006647662 1091789645 /nfs/dbraw/zinc/78/96/45/1091789645.db2.gz PGRIWJBAJCOEAP-DHZHZOJOSA-N 0 0 354.402 4.173 50 30 FIEARN C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000594247993 1095086812 /nfs/dbraw/zinc/08/68/12/1095086812.db2.gz IUECPMYGAFLCSG-UGSOOPFHSA-N 0 0 361.436 4.449 50 30 FIEARN C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2 ZINC000432365112 1099564654 /nfs/dbraw/zinc/56/46/54/1099564654.db2.gz QFBQLXDSHZHVQU-XOAFGZPJSA-N 0 0 353.425 4.363 50 30 FIEARN CCC(=NNC(=S)Nc1cccc(C)c1)c1ccc(OC)c(OC)c1 ZINC000254558514 1114220696 /nfs/dbraw/zinc/22/06/96/1114220696.db2.gz KNJHVODHAZWTTG-UHFFFAOYSA-N 0 0 357.479 4.113 50 30 FIEARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000649615 210258078 /nfs/dbraw/zinc/25/80/78/210258078.db2.gz HCVKEOMJMKJSJH-NSHDSACASA-N 0 0 369.515 4.180 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccnc1 ZINC000000628863 210253880 /nfs/dbraw/zinc/25/38/80/210253880.db2.gz LTFORFZDLIVSFA-UHFFFAOYSA-N 0 0 350.462 4.055 50 30 FIEARN COc1cc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)ccc1O ZINC000096809604 210240982 /nfs/dbraw/zinc/24/09/82/210240982.db2.gz YPYPNPQFGWYDIX-HYXAFXHYSA-N 0 0 360.793 4.112 50 30 FIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 ZINC000012859640 210234341 /nfs/dbraw/zinc/23/43/41/210234341.db2.gz ZYPFKFYCWXIVBM-ODLFYWEKSA-N 0 0 362.337 4.124 50 30 biogenic FIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000012662776 210234026 /nfs/dbraw/zinc/23/40/26/210234026.db2.gz IWTYAQOWCQYMSE-JMIUGGIZSA-N 0 0 352.386 4.275 50 30 biogenic FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccc(F)cc1 ZINC000004339582 210229976 /nfs/dbraw/zinc/22/99/76/210229976.db2.gz RKYMSWYPIJFOBE-UNOMPAQXSA-N 0 0 353.393 4.133 50 30 biogenic FIEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1 ZINC000034714047 210170643 /nfs/dbraw/zinc/17/06/43/210170643.db2.gz LXLXNLWNRPAMCF-UHFFFAOYSA-N 0 0 350.443 4.305 50 30 FIEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)NC(C)C ZINC000036115185 210170260 /nfs/dbraw/zinc/17/02/60/210170260.db2.gz BAUPNBZMSKHACX-UHFFFAOYSA-N 0 0 373.522 4.445 50 30 FIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1 ZINC000034713238 210169969 /nfs/dbraw/zinc/16/99/69/210169969.db2.gz IJRQCIBIWVZHGF-UHFFFAOYSA-N 0 0 368.433 4.444 50 30 FIEARN C=CCn1c2scc(CC(C)C)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032096682 210167405 /nfs/dbraw/zinc/16/74/05/210167405.db2.gz RAPUFAWWPLWZNQ-UHFFFAOYSA-N 0 0 364.474 4.157 50 30 FIEARN C=CCN(CC=C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000023508251 210159626 /nfs/dbraw/zinc/15/96/26/210159626.db2.gz CCEKNKVWJFESAI-UHFFFAOYSA-N 0 0 355.507 4.115 50 30 FIEARN C=CCSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000023299895 210158122 /nfs/dbraw/zinc/15/81/22/210158122.db2.gz IFPJSZIXKJUGBJ-AWEZNQCLSA-N 0 0 370.449 4.095 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002073804 210151586 /nfs/dbraw/zinc/15/15/86/210151586.db2.gz GOKVVTHKWZIPPU-QGZVFWFLSA-N 0 0 363.446 4.023 50 30 FIEARN C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 ZINC000002371917 210151515 /nfs/dbraw/zinc/15/15/15/210151515.db2.gz HIPKNAKGERIMPQ-SFHVURJKSA-N 0 0 364.536 4.388 50 30 FIEARN CO[P@@](=O)(C#Cc1ccccc1)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000002316788 210151048 /nfs/dbraw/zinc/15/10/48/210151048.db2.gz JETBBCIKNHGVGW-FYSMJZIKSA-N 0 0 354.264 4.328 50 30 FIEARN CO[P@](=O)(C#Cc1ccccc1)[C@](O)(c1ccccc1)C(F)(F)F ZINC000002316791 210150681 /nfs/dbraw/zinc/15/06/81/210150681.db2.gz JETBBCIKNHGVGW-VOIUYBSRSA-N 0 0 354.264 4.328 50 30 FIEARN C=C(Cl)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C ZINC000002381154 210150469 /nfs/dbraw/zinc/15/04/69/210150469.db2.gz YOKYDMWSASIKGE-UHFFFAOYSA-N 0 0 364.825 4.037 50 30 FIEARN C=CCOc1nc(CC)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002253095 210149860 /nfs/dbraw/zinc/14/98/60/210149860.db2.gz RQCZNMPGZFENMS-UHFFFAOYSA-N 0 0 355.463 4.218 50 30 FIEARN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O ZINC000000981692 210148993 /nfs/dbraw/zinc/14/89/93/210148993.db2.gz NKDBDBMHHBPIRN-WOJGMQOQSA-N 0 0 363.442 4.188 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)SC1=S ZINC000015011952 210146831 /nfs/dbraw/zinc/14/68/31/210146831.db2.gz UTMLAHSPTFXGHJ-MHWRWJLKSA-N 0 0 352.440 4.205 50 30 FIEARN C=CCn1c(S[C@@H](C)C(C)=O)nc2scc(-c3ccccc3)c2c1=O ZINC000015276985 210146751 /nfs/dbraw/zinc/14/67/51/210146751.db2.gz QGMNSSREAMFPKI-ZDUSSCGKSA-N 0 0 370.499 4.381 50 30 FIEARN C=CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000016890296 210146235 /nfs/dbraw/zinc/14/62/35/210146235.db2.gz FTXLMFGNJIODJU-UHFFFAOYSA-N 0 0 360.396 4.296 50 30 FIEARN C=CCOc1cccc(-c2nn3c(nnc3-c3ccc(OC)cc3)s2)c1 ZINC000013956912 210144217 /nfs/dbraw/zinc/14/42/17/210144217.db2.gz ZIJJTJKETNWRDE-UHFFFAOYSA-N 0 0 364.430 4.093 50 30 FIEARN COc1ccc(OC)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC000012778751 210142408 /nfs/dbraw/zinc/14/24/08/210142408.db2.gz MQOMTPHQMBRVFG-UHFFFAOYSA-N 0 0 357.409 4.356 50 30 FIEARN C=CCOc1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000012913104 210142086 /nfs/dbraw/zinc/14/20/86/210142086.db2.gz IPMVHAYTSPUWOZ-UHFFFAOYSA-N 0 0 367.430 4.072 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CC=CCC3)c2)c1 ZINC000012883090 210141875 /nfs/dbraw/zinc/14/18/75/210141875.db2.gz QUHYWIAPLOXQJS-IBGZPJMESA-N 0 0 359.425 4.168 50 30 FIEARN C=CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012040343 210140270 /nfs/dbraw/zinc/14/02/70/210140270.db2.gz FFWNKDRNNVBZOJ-AWEZNQCLSA-N 0 0 361.363 4.368 50 30 FIEARN C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12 ZINC000008554482 210135789 /nfs/dbraw/zinc/13/57/89/210135789.db2.gz PYVBFHATCRLTRH-CCEZHUSRSA-N 0 0 356.425 4.408 50 30 FIEARN C=CCSc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 ZINC000006602574 210107943 /nfs/dbraw/zinc/10/79/43/210107943.db2.gz AZANBAIEEFRSTH-VIFPVBQESA-N 0 0 351.522 4.255 50 30 FIEARN C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006023655 210108012 /nfs/dbraw/zinc/10/80/12/210108012.db2.gz SHRFQJRODBHVNV-UHFFFAOYSA-N 0 0 364.879 4.205 50 30 FIEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/Cc1ccccc1 ZINC000101186783 210104053 /nfs/dbraw/zinc/10/40/53/210104053.db2.gz PKIDGBADGQIIOJ-FMQUCBEESA-N 0 0 351.431 4.412 50 30 FIEARN C=CCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000004513727 210104113 /nfs/dbraw/zinc/10/41/13/210104113.db2.gz IEZXFACPYNZCSR-UHFFFAOYSA-N 0 0 358.850 4.326 50 30 FIEARN C=CCn1c(SCC(=O)c2cccs2)nnc1-c1cccc(OC)c1 ZINC000004076932 210103602 /nfs/dbraw/zinc/10/36/02/210103602.db2.gz UJQFXRIIFNMJQR-UHFFFAOYSA-N 0 0 371.487 4.176 50 30 FIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004385010 210103724 /nfs/dbraw/zinc/10/37/24/210103724.db2.gz QLHOLIOOLXELDO-AWEZNQCLSA-N 0 0 351.837 4.396 50 30 FIEARN C#CCSc1nnc(-c2csc(-c3ccc(Cl)cc3)n2)n1CC ZINC000005912061 210105719 /nfs/dbraw/zinc/10/57/19/210105719.db2.gz UKRPVBYZTJRKKE-UHFFFAOYSA-N 0 0 360.895 4.467 50 30 FIEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/N=C(C)C ZINC000005274680 210082638 /nfs/dbraw/zinc/08/26/38/210082638.db2.gz RPDBNASCOSIZKP-OBGWFSINSA-N 0 0 350.285 4.462 50 30 FIEARN F/C(I)=C(\F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100423640 210081830 /nfs/dbraw/zinc/08/18/30/210081830.db2.gz KVLZYXPNBHIUMY-OWOJBTEDSA-N 0 0 357.941 4.362 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCCC1 ZINC000058120334 210072775 /nfs/dbraw/zinc/07/27/75/210072775.db2.gz ADJSTPNYEZHIBY-UHFFFAOYSA-N 0 0 374.485 4.382 50 30 FIEARN COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)N1CCCC[C@@H]1c1cccnc1 ZINC000055142316 210068956 /nfs/dbraw/zinc/06/89/56/210068956.db2.gz RBNPONNUFQLAEM-LSWJPFSZSA-N 0 0 372.553 4.347 50 30 biogenic,in-vitro FIEARN C=CCn1cc(CN(Cc2sccc2C)Cc2ccccn2)c(C)n1 ZINC000055042080 210068122 /nfs/dbraw/zinc/06/81/22/210068122.db2.gz CHBINJZYBHPDTG-UHFFFAOYSA-N 0 0 352.507 4.345 50 30 FIEARN CCCCS(=O)(=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003127996 219488197 /nfs/dbraw/zinc/48/81/97/219488197.db2.gz MIFSDCJEELJDTH-VUZGARFFSA-N 0 0 356.487 4.430 50 30 FIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](/C=C/c3ccccc3)C12 ZINC000004435952 219575264 /nfs/dbraw/zinc/57/52/64/219575264.db2.gz OBOPHFVPGNOROT-QFTYNREVSA-N 0 0 374.469 4.420 50 30 FIEARN C=CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000004436253 219575308 /nfs/dbraw/zinc/57/53/08/219575308.db2.gz GXANLUZZRIGFIA-MRXNPFEDSA-N 0 0 372.881 4.232 50 30 FIEARN C=CCNC(=S)N=NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000005009696 219639826 /nfs/dbraw/zinc/63/98/26/219639826.db2.gz SFEOAMIQZXHREW-MTJSOVHGSA-N 0 0 359.882 4.314 50 30 FIEARN C=CCSc1nnc([C@@H](C)c2ncc(C(F)(F)F)cc2Cl)n1C ZINC000003134796 212040127 /nfs/dbraw/zinc/04/01/27/212040127.db2.gz UTQPTSCBCSUSGA-QMMMGPOBSA-N 0 0 362.808 4.312 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000013012972 220054481 /nfs/dbraw/zinc/05/44/81/220054481.db2.gz WHDGRXJHUQCHOA-UHFFFAOYSA-N 0 0 369.420 4.434 50 30 FIEARN C=CCN(C(=O)c1ccc(Br)o1)c1nc2c(s1)CCCC2 ZINC000015969002 220173328 /nfs/dbraw/zinc/17/33/28/220173328.db2.gz AKGMAMKPKHWXOH-UHFFFAOYSA-N 0 0 367.268 4.210 50 30 FIEARN C[C@@H]1CCCN(CN2c3ccccc3/C(=N/c3ccc(Cl)cc3)C2=O)C1 ZINC000016609071 220189213 /nfs/dbraw/zinc/18/92/13/220189213.db2.gz JSUKZRDGPINOTD-LYLVPTPKSA-N 0 0 367.880 4.497 50 30 FIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\C1CCCCCC1 ZINC000017242749 220212260 /nfs/dbraw/zinc/21/22/60/220212260.db2.gz OWSGANUDKUHUCQ-WXVFVKJXSA-N 0 0 373.522 4.058 50 30 FIEARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)c1cccc(C#N)c1)C3 ZINC000022668758 211361293 /nfs/dbraw/zinc/36/12/93/211361293.db2.gz XUTQLUSIXQTLRR-MRXNPFEDSA-N 0 0 363.848 4.289 50 30 FIEARN CCOc1cc(/C=C2\COc3ccc(OC)cc3C2=O)cc(Cl)c1OC ZINC000022958245 211369657 /nfs/dbraw/zinc/36/96/57/211369657.db2.gz OFGQPMRLMLTZCV-NTUHNPAUSA-N 0 0 374.820 4.415 50 30 FIEARN CCn1c(C)cc(C(=O)CSc2nc3c(c(C)c2C#N)CCC3)c1C ZINC000022719734 211361616 /nfs/dbraw/zinc/36/16/16/211361616.db2.gz NZLUYCPFOULJOL-UHFFFAOYSA-N 0 0 353.491 4.164 50 30 FIEARN Nc1cc(N)cc(C(=O)Nc2ccc(/C=C/C(=O)c3cccs3)cc2)c1 ZINC000021002038 211302777 /nfs/dbraw/zinc/30/27/77/211302777.db2.gz LVQBZBOQVXWPSG-VMPITWQZSA-N 0 0 363.442 4.061 50 30 FIEARN N#C[C@H]1Nc2ccccc2N1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000020512684 211286447 /nfs/dbraw/zinc/28/64/47/211286447.db2.gz NEQXVANFSKQGCG-KRWDZBQOSA-N 0 0 363.402 4.000 50 30 FIEARN Cc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3N)c2C#N)cc1 ZINC000020368380 211277794 /nfs/dbraw/zinc/27/77/94/211277794.db2.gz WKNGKISTSCJIGF-UHFFFAOYSA-N 0 0 357.442 4.116 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000019901593 211262315 /nfs/dbraw/zinc/26/23/15/211262315.db2.gz LYEVJTFKFBDLKW-IBGZPJMESA-N 0 0 353.462 4.125 50 30 FIEARN COc1cc2c(c(OC)c1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000018200465 211196588 /nfs/dbraw/zinc/19/65/88/211196588.db2.gz PRYANPJREGJBNM-LJQANCHMSA-N 0 0 353.393 4.407 50 30 FIEARN CCOC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CCC2 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ZINC000252625891 571288937 /nfs/dbraw/zinc/28/89/37/571288937.db2.gz QRJLQDRKHPOTRV-XMMPIXPASA-N 0 0 369.468 4.454 50 30 FIEARN CCCN1C(=O)/C(=C\c2ccccc2O)SC1=Nc1ccc(OC)cc1 ZINC000252625712 571288982 /nfs/dbraw/zinc/28/89/82/571288982.db2.gz QPXUKIYVZSPLST-ORZNGPHRSA-N 0 0 368.458 4.415 50 30 FIEARN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 ZINC000252628615 571289417 /nfs/dbraw/zinc/28/94/17/571289417.db2.gz SUFVQPBLRKGLJS-HLEBVGASSA-N 0 0 351.475 4.377 50 30 FIEARN CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)SC1=Nc1ccccc1 ZINC000252630654 571289506 /nfs/dbraw/zinc/28/95/06/571289506.db2.gz VCIUISCFXZRITH-VOBJICJNSA-N 0 0 366.442 4.348 50 30 FIEARN Brc1ccc(N=Cc2ccc3c(c2)OCO3)c2ncccc12 ZINC000252640406 571291659 /nfs/dbraw/zinc/29/16/59/571291659.db2.gz YTGDJNOWDUIEGN-UHFFFAOYSA-N 0 0 355.191 4.477 50 30 FIEARN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000077375153 571321028 /nfs/dbraw/zinc/32/10/28/571321028.db2.gz ZARMEUVXIPSSNT-UHFFFAOYSA-N 0 0 370.456 4.277 50 30 FIEARN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1C(C)C ZINC000012372045 571322376 /nfs/dbraw/zinc/32/23/76/571322376.db2.gz KCPHILMNMZVCAH-UHFFFAOYSA-N 0 0 374.535 4.384 50 30 FIEARN N#Cc1ccccc1OCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012795631 571322735 /nfs/dbraw/zinc/32/27/35/571322735.db2.gz XAUPYFVAMXPMEA-FQEVSTJZSA-N 0 0 366.417 4.043 50 30 FIEARN CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000012787268 571322749 /nfs/dbraw/zinc/32/27/49/571322749.db2.gz QMTFXHUQBCLLOP-AWEZNQCLSA-N 0 0 368.506 4.462 50 30 FIEARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(Cl)c(Cl)cc1O ZINC000328591392 571323581 /nfs/dbraw/zinc/32/35/81/571323581.db2.gz BLZHFZWVPCISSY-UHFFFAOYSA-N 0 0 363.200 4.414 50 30 FIEARN N#C[C@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@]12CCCCO2 ZINC000328594600 571323675 /nfs/dbraw/zinc/32/36/75/571323675.db2.gz XNPDKRVBZARFDB-RHSMWYFYSA-N 0 0 353.249 4.061 50 30 FIEARN Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C ZINC000095953392 571332827 /nfs/dbraw/zinc/33/28/27/571332827.db2.gz LGSARCSRHWNGPG-NSHDSACASA-N 0 0 361.492 4.417 50 30 FIEARN CCC(C)(C)C1C/C(=C/c2cnn(C)c2)C(=O)/C(=C\c2cnn(C)c2)C1 ZINC000096035529 571334250 /nfs/dbraw/zinc/33/42/50/571334250.db2.gz OOKHDJDBMLVJQA-MZAUSLISSA-N 0 0 352.482 4.036 50 30 FIEARN Cc1nc(COc2ccc(/C=C\C(=O)c3ccc(F)cc3F)cc2)no1 ZINC000096310933 571335196 /nfs/dbraw/zinc/33/51/96/571335196.db2.gz YYYVPQLQPZWBPV-WTKPLQERSA-N 0 0 356.328 4.131 50 30 FIEARN N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccc(F)cc3)cc2)cc1 ZINC000002644299 571339919 /nfs/dbraw/zinc/33/99/19/571339919.db2.gz PLJMSDQWCDSGMV-UHFFFAOYSA-N 0 0 374.415 4.102 50 30 FIEARN N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000002645439 571339979 /nfs/dbraw/zinc/33/99/79/571339979.db2.gz BOASSHXQPGWDQW-UHFFFAOYSA-N 0 0 361.348 4.020 50 30 FIEARN N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2 ZINC000002995946 571343373 /nfs/dbraw/zinc/34/33/73/571343373.db2.gz ODBXUBSKIIGWJL-UHFFFAOYSA-N 0 0 351.225 4.106 50 30 FIEARN COc1ccc(-c2ccc(C#N)c(=O)n2Cc2cccc(Cl)c2)cc1 ZINC000003128353 571344933 /nfs/dbraw/zinc/34/49/33/571344933.db2.gz OMWCLBBWESTGIC-UHFFFAOYSA-N 0 0 350.805 4.097 50 30 FIEARN CCN(C(=O)COc1ccc(C#N)cc1OC)c1cccc2ccccc21 ZINC000003374770 571348651 /nfs/dbraw/zinc/34/86/51/571348651.db2.gz ADTZWSUDMBHLAH-UHFFFAOYSA-N 0 0 360.413 4.152 50 30 FIEARN Cc1nc(SCC(=O)Nc2cccc3cccnc32)c(C#N)c(C)c1C ZINC000003625138 571351713 /nfs/dbraw/zinc/35/17/13/571351713.db2.gz ZLTGQDFVJGLJIQ-UHFFFAOYSA-N 0 0 362.458 4.158 50 30 FIEARN O=C1CCCC2=C1[C@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCO4 ZINC000004090796 571355168 /nfs/dbraw/zinc/35/51/68/571355168.db2.gz BNQZOWRSXRHBJK-SFHVURJKSA-N 0 0 371.436 4.419 50 30 biogenic FIEARN COCc1cc(C)nc(SCc2ccc(Br)cc2)c1C#N ZINC000004309630 571357728 /nfs/dbraw/zinc/35/77/28/571357728.db2.gz HGCQLTHZOUZWHY-UHFFFAOYSA-N 0 0 363.280 4.463 50 30 FIEARN CC(C)c1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc21 ZINC000007984184 571358061 /nfs/dbraw/zinc/35/80/61/571358061.db2.gz PMODTKYFUKKEGG-UHFFFAOYSA-N 0 0 350.330 4.489 50 30 FIEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)csc1=Nc1ccc(O)cc1 ZINC000254400143 1080912758 /nfs/dbraw/zinc/91/27/58/1080912758.db2.gz PVAPTDMGWHFMTQ-UHFFFAOYSA-N 0 0 353.403 4.249 50 30 FIEARN COC1=Nc2ccccc2[C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)[C@]12C#N ZINC000004858324 1086195594 /nfs/dbraw/zinc/19/55/94/1086195594.db2.gz SRTALILYPYDTLC-IKEGQRKSSA-N 0 0 360.457 4.385 50 30 FIEARN Cn1c2ccccc2sc1=NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000256007529 1088446869 /nfs/dbraw/zinc/44/68/69/1088446869.db2.gz VSPXPZXDDLJRPS-XMUBCCJESA-N 0 0 362.502 4.438 50 30 FIEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)cc(Cl)c1O ZINC000014139385 1090310133 /nfs/dbraw/zinc/31/01/33/1090310133.db2.gz TWIXFOVMVYVVFD-QPJJXVBHSA-N 0 0 350.773 4.488 50 30 FIEARN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1[C@H](C)C1CC1 ZINC000329407014 1090648657 /nfs/dbraw/zinc/64/86/57/1090648657.db2.gz AZHIINMIFWAHCT-LKUPVBHCSA-N 0 0 362.477 4.075 50 30 FIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(C#N)cc3)cc2c1C ZINC000024825343 1092804723 /nfs/dbraw/zinc/80/47/23/1092804723.db2.gz DDYJYRZGTRNBEW-BQYQJAHWSA-N 0 0 362.410 4.159 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C=NNC(=S)Nc1ccccc1F ZINC000263631539 1098612260 /nfs/dbraw/zinc/61/22/60/1098612260.db2.gz TUGYDTOTJVHDMR-MOZTWKHESA-N 0 0 368.481 4.409 50 30 FIEARN N#Cc1cccc(/C=C2/CCOc3ccc(Br)cc3C2=O)c1 ZINC000082070892 1113255862 /nfs/dbraw/zinc/25/58/62/1113255862.db2.gz OZXYSLHIJCJODL-ZROIWOOFSA-N 0 0 354.203 4.370 50 30 FIEARN COc1nc(N(C)C)sc1C=NN=C1c2ccccc2-c2ccccc21 ZINC000254307775 1113860508 /nfs/dbraw/zinc/86/05/08/1113860508.db2.gz IDCCEHYUUNIHQJ-UHFFFAOYSA-N 0 0 362.458 4.070 50 30 FIEARN COc1ccc(-c2nnc(CON=Cc3ccccc3OC(C)C)o2)cc1 ZINC000254499308 1114155421 /nfs/dbraw/zinc/15/54/21/1114155421.db2.gz UBPJOIJLORUIQC-UHFFFAOYSA-N 0 0 367.405 4.083 50 30 FIEARN N#Cc1cc(F)ccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000170655714 222612541 /nfs/dbraw/zinc/61/25/41/222612541.db2.gz WZXQDVCZQGSFAH-UHFFFAOYSA-N 0 0 374.297 4.154 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000000628391 219307003 /nfs/dbraw/zinc/30/70/03/219307003.db2.gz GVKGMJCOYFQOJF-KRWDZBQOSA-N 0 0 359.853 4.117 50 30 FIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000000654488 219310374 /nfs/dbraw/zinc/31/03/74/219310374.db2.gz YEKUNMFZVLRNNI-UYAOXDASSA-N 0 0 372.380 4.001 50 30 FIEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000000637511 219307742 /nfs/dbraw/zinc/30/77/42/219307742.db2.gz YVKUCXPWFSNDQB-KRWDZBQOSA-N 0 0 353.219 4.469 50 30 FIEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nc2sc(C)cc2c1=O ZINC000000784846 219320875 /nfs/dbraw/zinc/32/08/75/219320875.db2.gz CSMPAVRQVFREBR-UHFFFAOYSA-N 0 0 368.487 4.121 50 30 FIEARN N#Cc1c(SCC(N)=O)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000000756927 219319833 /nfs/dbraw/zinc/31/98/33/219319833.db2.gz LAAVTSNZEORGSM-UHFFFAOYSA-N 0 0 369.446 4.065 50 30 FIEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000000804251 219323489 /nfs/dbraw/zinc/32/34/89/219323489.db2.gz LLBJIMCUCDWAKP-OAHLLOKOSA-N 0 0 363.248 4.243 50 30 FIEARN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)CCCC2 ZINC000000856943 219331961 /nfs/dbraw/zinc/33/19/61/219331961.db2.gz BPXMTPRPTLGVEY-UHFFFAOYSA-N 0 0 368.487 4.106 50 30 FIEARN CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 ZINC000000826282 219328025 /nfs/dbraw/zinc/32/80/25/219328025.db2.gz YFCMXHBCFDWCEC-FQEVSTJZSA-N 0 0 369.461 4.005 50 30 FIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000000888406 219336649 /nfs/dbraw/zinc/33/66/49/219336649.db2.gz IQNTZGBDIFVDGN-UHFFFAOYSA-N 0 0 365.380 4.320 50 30 FIEARN CN(Cc1ccccc1)c1oc(COc2ccc(Cl)cc2)nc1C#N ZINC000000934572 219342623 /nfs/dbraw/zinc/34/26/23/219342623.db2.gz FQCAQWLOEDXVLQ-UHFFFAOYSA-N 0 0 353.809 4.415 50 30 FIEARN CC(C)(C)C1=CC(=NN2C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O ZINC000000972656 219348791 /nfs/dbraw/zinc/34/87/91/219348791.db2.gz FCTZVXZNCSXJQG-UHFFFAOYSA-N 0 0 364.445 4.166 50 30 FIEARN COc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccc(Br)cc2)cc1 ZINC000000987623 219349843 /nfs/dbraw/zinc/34/98/43/219349843.db2.gz SSVUVYKVZTVSJC-GOSISDBHSA-N 0 0 371.234 4.004 50 30 FIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000988616 219350042 /nfs/dbraw/zinc/35/00/42/219350042.db2.gz BVLOFQRJXBJNPB-LJQANCHMSA-N 0 0 374.396 4.094 50 30 FIEARN Cc1c(C#N)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc1C(=O)OC(C)C ZINC000000994521 219350779 /nfs/dbraw/zinc/35/07/79/219350779.db2.gz UUVBPUBIBLYNNT-HUUCEWRRSA-N 0 0 368.458 4.236 50 30 FIEARN CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000001033691 219355519 /nfs/dbraw/zinc/35/55/19/219355519.db2.gz PZNJITRXQKRPFY-UHFFFAOYSA-N 0 0 358.397 4.229 50 30 FIEARN N#Cc1c(N)n(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1Cl ZINC000001034231 219355887 /nfs/dbraw/zinc/35/58/87/219355887.db2.gz OOVHPSNHDOAPQE-UHFFFAOYSA-N 0 0 374.187 4.208 50 30 FIEARN N#Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001035224 219355905 /nfs/dbraw/zinc/35/59/05/219355905.db2.gz IERFTTOEXQZMLJ-UHFFFAOYSA-N 0 0 357.413 4.459 50 30 FIEARN Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 ZINC000001051563 219359627 /nfs/dbraw/zinc/35/96/27/219359627.db2.gz HCIQAONRDKUSPP-UHFFFAOYSA-N 0 0 365.380 4.320 50 30 FIEARN CC(C)(C)c1cc(C(=O)NCc2ccc(C#N)cc2)n(Cc2ccccc2)n1 ZINC000001035225 219356362 /nfs/dbraw/zinc/35/63/62/219356362.db2.gz BIPMOXKKOMLVRB-UHFFFAOYSA-N 0 0 372.472 4.031 50 30 FIEARN C=CCn1c2sc(-c3ccccc3)cc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000001036430 219356436 /nfs/dbraw/zinc/35/64/36/219356436.db2.gz SAQPKZORESLSNO-UHFFFAOYSA-N 0 0 374.465 4.375 50 30 FIEARN CCCc1cc(-n2nnc3ccccc32)n2c3ccccc3nc2c1C#N ZINC000001104286 219369662 /nfs/dbraw/zinc/36/96/62/219369662.db2.gz SQRHVYFQGIELOR-UHFFFAOYSA-N 0 0 352.401 4.046 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1 ZINC000001165655 219383717 /nfs/dbraw/zinc/38/37/17/219383717.db2.gz VLMAVKBAQOFQFH-CMDGGOBGSA-N 0 0 350.187 4.405 50 30 FIEARN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)c2C#N)cc1 ZINC000001190955 219387655 /nfs/dbraw/zinc/38/76/55/219387655.db2.gz VASSGVOUPZDXHR-UHFFFAOYSA-N 0 0 353.381 4.383 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])o1 ZINC000001304906 219393506 /nfs/dbraw/zinc/39/35/06/219393506.db2.gz FAGDDYKDMJWQIE-SFHVURJKSA-N 0 0 353.378 4.410 50 30 FIEARN COc1ccccc1[C@@H](C#N)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000225532907 222847701 /nfs/dbraw/zinc/84/77/01/222847701.db2.gz YSZMRJAKBFNCRQ-HXUWFJFHSA-N 0 0 367.408 4.391 50 30 FIEARN N#Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000001514800 219410096 /nfs/dbraw/zinc/41/00/96/219410096.db2.gz ZSKYSWFHPVTPTP-UHFFFAOYSA-N 0 0 358.220 4.183 50 30 FIEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCC=C ZINC000002081201 219425866 /nfs/dbraw/zinc/42/58/66/219425866.db2.gz XZOYTVAHJXLBCS-JXAWBTAJSA-N 0 0 361.397 4.161 50 30 FIEARN O=c1c2c(ncn1/N=C/c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002278719 219436246 /nfs/dbraw/zinc/43/62/46/219436246.db2.gz FGVXCRFWZONYDD-MFKUBSTISA-N 0 0 355.441 4.160 50 30 FIEARN C=CCOC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000002250498 219434364 /nfs/dbraw/zinc/43/43/64/219434364.db2.gz YCCJZCTZUZBKPQ-PGMHBOJBSA-N 0 0 357.409 4.340 50 30 FIEARN Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccc(Cl)cc1 ZINC000002338186 219438053 /nfs/dbraw/zinc/43/80/53/219438053.db2.gz VVTOLQORACCKGK-GSTIJIFKSA-N 0 0 357.866 4.114 50 30 FIEARN C=CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc21 ZINC000002322350 219438082 /nfs/dbraw/zinc/43/80/82/219438082.db2.gz GREVYSOMKAHJPV-UHFFFAOYSA-N 0 0 350.422 4.015 50 30 FIEARN N#Cc1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000002747948 219461433 /nfs/dbraw/zinc/46/14/33/219461433.db2.gz KNOIBRMTKNZEHB-UHFFFAOYSA-N 0 0 367.128 4.049 50 30 FIEARN COc1ccc(NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003124587 219487595 /nfs/dbraw/zinc/48/75/95/219487595.db2.gz DXAWLVUQOWPHBB-UHFFFAOYSA-N 0 0 369.183 4.307 50 30 FIEARN Oc1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000004189020 219553373 /nfs/dbraw/zinc/55/33/73/219553373.db2.gz YOADXQMWGNLGAQ-RREIPUBJSA-N 0 0 352.209 4.413 50 30 FIEARN C=CCn1c(S[C@H](CCC)C(=O)OCC)nnc1-c1ccc(F)cc1 ZINC000004196789 219554594 /nfs/dbraw/zinc/55/45/94/219554594.db2.gz SBQLASZCZNKHMN-OAHLLOKOSA-N 0 0 363.458 4.094 50 30 FIEARN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1 ZINC000004240872 219557624 /nfs/dbraw/zinc/55/76/24/219557624.db2.gz WKKSCOKVTJQVPD-VQTJNVASSA-N 0 0 369.461 4.100 50 30 FIEARN CCOc1cc(N=NC(C)c2cccc(C(F)(F)F)c2)nc(SC)n1 ZINC000004667627 219592701 /nfs/dbraw/zinc/59/27/01/219592701.db2.gz CXTHUBVQZPBNER-LSHDLFTRSA-N 0 0 370.400 4.452 50 30 FIEARN N#Cc1c(Cl)nc(N=NCc2ccccc2C=O)c(Cl)c1Cl ZINC000004703514 219598638 /nfs/dbraw/zinc/59/86/38/219598638.db2.gz ICAOBSJEAOHKJS-KPSZGOFPSA-N 0 0 353.596 4.172 50 30 FIEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000004913861 219623863 /nfs/dbraw/zinc/62/38/63/219623863.db2.gz IPSJCTKSRSXKHW-GOEBONIOSA-N 0 0 367.470 4.151 50 30 FIEARN O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914640 219623971 /nfs/dbraw/zinc/62/39/71/219623971.db2.gz LXYMGKZOHDWRAO-CZUORRHYSA-N 0 0 369.823 4.483 50 30 FIEARN C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S ZINC000005128028 219652141 /nfs/dbraw/zinc/65/21/41/219652141.db2.gz BNRSQCUOPLBUHF-RWPWKDLBSA-N 0 0 356.516 4.228 50 30 aggregator FIEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1ccncc1 ZINC000005186527 219659889 /nfs/dbraw/zinc/65/98/89/219659889.db2.gz QMGJDYSAPSVMSQ-JAIQZWGSSA-N 0 0 374.352 4.185 50 30 FIEARN N#CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 ZINC000005672301 219693678 /nfs/dbraw/zinc/69/36/78/219693678.db2.gz KGNLIQHVHQHXRE-XSFVSMFZSA-N 0 0 362.614 4.277 50 30 FIEARN O=C1Nc2c(cc(Cl)cc2Cl)C1=NNC(=S)NC1CCCCC1 ZINC000006047042 219711893 /nfs/dbraw/zinc/71/18/93/219711893.db2.gz OJRITUYGBLLMOT-UHFFFAOYSA-N 0 0 371.293 4.096 50 30 FIEARN Cc1ccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000006842132 219776101 /nfs/dbraw/zinc/77/61/01/219776101.db2.gz CGMUARQOZVYMHV-GFCCVEGCSA-N 0 0 367.499 4.249 50 30 FIEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000009264210 219876708 /nfs/dbraw/zinc/87/67/08/219876708.db2.gz FJIKQORRGFNPFY-HXUWFJFHSA-N 0 0 365.433 4.380 50 30 FIEARN N#Cc1c2c(sc1NC(=O)CSc1nccn1C1CC1)CCCCC2 ZINC000011892345 219939864 /nfs/dbraw/zinc/93/98/64/219939864.db2.gz IGZLGMNVVPWQLF-UHFFFAOYSA-N 0 0 372.519 4.151 50 30 FIEARN O=[N+]([O-])c1ccc(N=NC2CCCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000012524290 220002971 /nfs/dbraw/zinc/00/29/71/220002971.db2.gz OXWJCYWFEMNOSV-FDXCNZBMSA-N 0 0 355.354 4.024 50 30 FIEARN CSc1nc(C2CC2)cc(C(=O)OCc2nc3ccccc3o2)c1C#N ZINC000012572245 220007886 /nfs/dbraw/zinc/00/78/86/220007886.db2.gz BXMRYYHHHUUZNI-UHFFFAOYSA-N 0 0 365.414 4.051 50 30 FIEARN CCN(Cc1cc(C#N)ccc1F)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000012620376 220014176 /nfs/dbraw/zinc/01/41/76/220014176.db2.gz RPBFDKZTXVZQII-UHFFFAOYSA-N 0 0 370.815 4.022 50 30 FIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccsc3)c2)c1 ZINC000012736167 220022343 /nfs/dbraw/zinc/02/23/43/220022343.db2.gz GKSSMGVKXKNMFJ-UHFFFAOYSA-N 0 0 361.422 4.187 50 30 FIEARN Cc1ccc(-n2c(SCCC#N)nc3cc(Cl)ccc3c2=O)cc1 ZINC000012820740 220033431 /nfs/dbraw/zinc/03/34/31/220033431.db2.gz MWIJKQFMMPICOV-UHFFFAOYSA-N 0 0 355.850 4.353 50 30 FIEARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 ZINC000012920599 220042883 /nfs/dbraw/zinc/04/28/83/220042883.db2.gz HOEHPIICUPPGAF-UHFFFAOYSA-N 0 0 362.454 4.262 50 30 FIEARN N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012941888 220044920 /nfs/dbraw/zinc/04/49/20/220044920.db2.gz WHEKMHSLIQNKNE-JOCHJYFZSA-N 0 0 373.481 4.206 50 30 FIEARN COc1ccc2cc(CN(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2c1 ZINC000012974565 220047640 /nfs/dbraw/zinc/04/76/40/220047640.db2.gz LSSZSLRUTDRJPH-INIZCTEOSA-N 0 0 374.440 4.146 50 30 FIEARN Cc1sc(NC(=O)CCc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000012982054 220048699 /nfs/dbraw/zinc/04/86/99/220048699.db2.gz DWVZUUNTFKITCK-UHFFFAOYSA-N 0 0 350.390 4.409 50 30 FIEARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000013482320 220069283 /nfs/dbraw/zinc/06/92/83/220069283.db2.gz ASJASRUWLZUSCV-NSIKDUERSA-N 0 0 373.528 4.133 50 30 FIEARN COc1cc(/C=C2/CCC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000013519235 220070433 /nfs/dbraw/zinc/07/04/33/220070433.db2.gz DHKKONBXGAAFTB-APGQMXJTSA-N 0 0 366.413 4.335 50 30 FIEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ncccc1[N+](=O)[O-] ZINC000013575669 220076314 /nfs/dbraw/zinc/07/63/14/220076314.db2.gz NRSDUWUUADZBCV-UHFFFAOYSA-N 0 0 352.350 4.214 50 30 FIEARN O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013590597 220077583 /nfs/dbraw/zinc/07/75/83/220077583.db2.gz UAEFJQYIQMJHKM-MNDPQUGUSA-N 0 0 365.241 4.270 50 30 FIEARN C=CCn1cnnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000014094321 220106790 /nfs/dbraw/zinc/10/67/90/220106790.db2.gz QMPQKKBCORTRQR-UHFFFAOYSA-N 0 0 358.511 4.442 50 30 FIEARN N#CCCSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 ZINC000014157741 220110397 /nfs/dbraw/zinc/11/03/97/220110397.db2.gz XQVVTEXKKINARW-UHFFFAOYSA-N 0 0 353.472 4.330 50 30 FIEARN N#Cc1ccccc1-c1ccc(CSc2nnnn2Cc2ccco2)cc1 ZINC000014190556 220114815 /nfs/dbraw/zinc/11/48/15/220114815.db2.gz ANBCRTVTRZYTTO-UHFFFAOYSA-N 0 0 373.441 4.145 50 30 FIEARN CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000014198014 220115886 /nfs/dbraw/zinc/11/58/86/220115886.db2.gz UZWUDXWMETXVDS-UHFFFAOYSA-N 0 0 354.475 4.035 50 30 FIEARN C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 ZINC000015007816 220140409 /nfs/dbraw/zinc/14/04/09/220140409.db2.gz HVBAVCIITDOVFJ-UHFFFAOYSA-N 0 0 357.475 4.419 50 30 FIEARN N#Cc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000015294569 220150302 /nfs/dbraw/zinc/15/03/02/220150302.db2.gz LIFQKCIXRYOMRW-UHFFFAOYSA-N 0 0 365.820 4.200 50 30 FIEARN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 ZINC000015583371 220156345 /nfs/dbraw/zinc/15/63/45/220156345.db2.gz FLDLNJNDBWUKGT-MRXNPFEDSA-N 0 0 362.454 4.265 50 30 FIEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000016046808 220176487 /nfs/dbraw/zinc/17/64/87/220176487.db2.gz ZTKQEQOUIDILNX-JOCHJYFZSA-N 0 0 373.431 4.002 50 30 FIEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c1 ZINC000016661532 220189436 /nfs/dbraw/zinc/18/94/36/220189436.db2.gz OQXUPAWRUKVNQL-WQRHYEAKSA-N 0 0 368.458 4.212 50 30 FIEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1C ZINC000017167364 220206693 /nfs/dbraw/zinc/20/66/93/220206693.db2.gz DGDMGXBSDYSANJ-ATVHPVEESA-N 0 0 367.474 4.388 50 30 FIEARN O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000017178113 220209764 /nfs/dbraw/zinc/20/97/64/220209764.db2.gz BKXWPKWWNAIQQW-CQSZACIVSA-N 0 0 351.258 4.455 50 30 FIEARN CCOc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196788 220228172 /nfs/dbraw/zinc/22/81/72/220228172.db2.gz MUMNBKODPUZJJM-OAQYLSRUSA-N 0 0 363.413 4.379 50 30 FIEARN CCOc1cc(-c2c(C#N)c(N)nc3c2CCc2ccccc2-3)ccc1O ZINC000019095832 220235404 /nfs/dbraw/zinc/23/54/04/220235404.db2.gz SHFWXLJFNDXSPU-UHFFFAOYSA-N 0 0 357.413 4.072 50 30 FIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019536302 220267939 /nfs/dbraw/zinc/26/79/39/220267939.db2.gz HWFUXTLTPARKHS-SFHVURJKSA-N 0 0 359.853 4.260 50 30 FIEARN O=C1CCCC2=C1C(c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000019781584 220296191 /nfs/dbraw/zinc/29/61/91/220296191.db2.gz DSENXXNBPDKUMA-UHFFFAOYSA-N 0 0 372.262 4.150 50 30 FIEARN CCCNC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020097974 220312347 /nfs/dbraw/zinc/31/23/47/220312347.db2.gz XSWSQUOKLFIBEL-UHFFFAOYSA-N 0 0 353.535 4.089 50 30 FIEARN Cc1ccc(C)c(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000020060302 220310251 /nfs/dbraw/zinc/31/02/51/220310251.db2.gz ITAMTQYLNWQDTH-UHFFFAOYSA-N 0 0 360.457 4.492 50 30 FIEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 ZINC000020533524 220331673 /nfs/dbraw/zinc/33/16/73/220331673.db2.gz RDYSUKIAMIAUHK-PXNMLYILSA-N 0 0 364.228 4.377 50 30 FIEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020464428 220327894 /nfs/dbraw/zinc/32/78/94/220327894.db2.gz VTZBMHBSLGIRGR-QWQRMKEZSA-N 0 0 363.465 4.446 50 30 FIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C)cc1 ZINC000023375113 220425776 /nfs/dbraw/zinc/42/57/76/220425776.db2.gz UUSVEGLSWRDKOD-IBGZPJMESA-N 0 0 359.425 4.127 50 30 FIEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccccc1 ZINC000033011039 220709367 /nfs/dbraw/zinc/70/93/67/220709367.db2.gz KVMPEIQKDXAKNB-UHFFFAOYSA-N 0 0 351.456 4.413 50 30 FIEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)cc1 ZINC000040285155 220898535 /nfs/dbraw/zinc/89/85/35/220898535.db2.gz AGYVOLGCQRKVHI-CQSZACIVSA-N 0 0 350.328 4.146 50 30 FIEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc(F)cc1)=C2 ZINC000049548720 221024992 /nfs/dbraw/zinc/02/49/92/221024992.db2.gz AOCADHCYEYESLI-UHFFFAOYSA-N 0 0 369.436 4.333 50 30 FIEARN C=CCN(Cc1ccccc1OCC)C(=O)c1nc2c(C)cccn2c1F ZINC000055119467 221059732 /nfs/dbraw/zinc/05/97/32/221059732.db2.gz ILGSTGGYWVLARV-UHFFFAOYSA-N 0 0 367.424 4.009 50 30 FIEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C ZINC000063832350 221143877 /nfs/dbraw/zinc/14/38/77/221143877.db2.gz DDYDHZCFTODFJN-IRLDBZIGSA-N 0 0 363.505 4.444 50 30 FIEARN Cc1cccc(NC(=O)c2ccc(CN(C)[C@@H](C)c3ccon3)cc2)c1C#N ZINC000065380957 221206043 /nfs/dbraw/zinc/20/60/43/221206043.db2.gz AXBHTFAOQUAYJZ-INIZCTEOSA-N 0 0 374.444 4.300 50 30 FIEARN CSCC[C@@H](CO)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000065451437 221220133 /nfs/dbraw/zinc/22/01/33/221220133.db2.gz QSOHSFSDEGBUSL-IBGZPJMESA-N 0 0 363.486 4.375 50 30 FIEARN OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 ZINC000065500770 221226619 /nfs/dbraw/zinc/22/66/19/221226619.db2.gz QANSDQLPDVAMGL-UHFFFAOYSA-N 0 0 365.436 4.004 50 30 FIEARN N#Cc1c(N)nc(-c2cccc(F)c2)cc1-c1cnc(-c2ccco2)nc1 ZINC000067852090 221294944 /nfs/dbraw/zinc/29/49/44/221294944.db2.gz ATVIFKWLEBEOBC-UHFFFAOYSA-N 0 0 357.348 4.059 50 30 FIEARN N#Cc1ccc(SCC(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000068214034 221314094 /nfs/dbraw/zinc/31/40/94/221314094.db2.gz 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O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccccc1)CC(=O)O3 ZINC000218017107 571352035 /nfs/dbraw/zinc/35/20/35/571352035.db2.gz HREMCHNSQMOONC-BEWREHSGSA-N 0 0 369.376 4.139 50 30 biogenic FIEARN N#Cc1cccc(NC(=O)CSCc2csc(-c3ccco3)n2)c1 ZINC000031420339 571352358 /nfs/dbraw/zinc/35/23/58/571352358.db2.gz RTKLZKHTWRGWGL-UHFFFAOYSA-N 0 0 355.444 4.147 50 30 FIEARN N#Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1 ZINC000031420490 571352362 /nfs/dbraw/zinc/35/23/62/571352362.db2.gz OSSBXQBQBNUYRS-UHFFFAOYSA-N 0 0 355.444 4.147 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000003892321 571352880 /nfs/dbraw/zinc/35/28/80/571352880.db2.gz GQZLXRPKQVBCKE-NSHDSACASA-N 0 0 364.426 4.103 50 30 FIEARN COc1cc(Br)cc(/C=N/c2sc(C)c(C)c2C#N)c1O ZINC000004150680 571356255 /nfs/dbraw/zinc/35/62/55/571356255.db2.gz BQRROOLUGNAETA-CNHKJKLMSA-N 0 0 365.252 4.464 50 30 FIEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCCCC2)c1C#N ZINC000008119240 571359088 /nfs/dbraw/zinc/35/90/88/571359088.db2.gz 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CCc1nc(C2(NC(=O)[C@@H]3CCc4cc(C)ccc4O3)CCCC2)no1 ZINC000330021873 1091136822 /nfs/dbraw/zinc/13/68/22/1091136822.db2.gz YOXSQYKUVOQXFB-INIZCTEOSA-N 0 0 355.438 4.060 50 30 FIEARN COc1ccc(C=Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000254501796 1114152683 /nfs/dbraw/zinc/15/26/83/1114152683.db2.gz URDQBBAYOXCRDW-UHFFFAOYSA-N 0 0 364.367 4.301 50 30 FIEARN CC(=O)c1ccc(N=C2SCCCN2C(=O)C=Cc2ccco2)cc1 ZINC000254501308 1114152712 /nfs/dbraw/zinc/15/27/12/1114152712.db2.gz NYTFRKVUXJFNCR-HMNUEBLWSA-N 0 0 354.431 4.149 50 30 FIEARN CCCCc1ccc(C#N)c(SCC(=O)Oc2ccc(F)cc2F)n1 ZINC000215681704 222651073 /nfs/dbraw/zinc/65/10/73/222651073.db2.gz SUAXGYXJXLQVBR-UHFFFAOYSA-N 0 0 362.401 4.272 50 30 FIEARN O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000816231 219325702 /nfs/dbraw/zinc/32/57/02/219325702.db2.gz IULQJSLODVDDNP-OCCSQVGLSA-N 0 0 357.862 4.406 50 30 FIEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC ZINC000000894732 219337596 /nfs/dbraw/zinc/33/75/96/219337596.db2.gz 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219366188 /nfs/dbraw/zinc/36/61/88/219366188.db2.gz SYAGWLMWYQBCBM-AZUAARDMSA-N 0 0 353.393 4.057 50 30 FIEARN CC/N=C1\S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1CC ZINC000001097359 219368786 /nfs/dbraw/zinc/36/87/86/219368786.db2.gz NFYKKMGQIUIFRR-SMSCYPBYSA-N 0 0 351.431 4.130 50 30 FIEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000001320637 219394543 /nfs/dbraw/zinc/39/45/43/219394543.db2.gz QJTDRYWXCAGXFP-HSZRJFAPSA-N 0 0 363.457 4.193 50 30 FIEARN C[C@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000225525339 222847664 /nfs/dbraw/zinc/84/76/64/222847664.db2.gz QFBQLXDSHZHVQU-WIZMWCRPSA-N 0 0 353.425 4.363 50 30 FIEARN C#CCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 ZINC000002245835 219434010 /nfs/dbraw/zinc/43/40/10/219434010.db2.gz WLKQIGSJNBKVKT-UHFFFAOYSA-N 0 0 364.514 4.414 50 30 FIEARN O=c1n(C[C@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000002275815 219435385 /nfs/dbraw/zinc/43/53/85/219435385.db2.gz GZAGLVFYTYMSBJ-NRFANRHFSA-N 0 0 368.436 4.372 50 30 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Cc1ccccc1SCC(=O)NCCSCc1ccccc1C#N ZINC000007649077 219814666 /nfs/dbraw/zinc/81/46/66/219814666.db2.gz IWMYFBRFGWAPRZ-UHFFFAOYSA-N 0 0 356.516 4.008 50 30 FIEARN N#Cc1ccc(OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007890500 219831559 /nfs/dbraw/zinc/83/15/59/219831559.db2.gz AOTNXSKAMMKRJH-FQEVSTJZSA-N 0 0 366.417 4.043 50 30 FIEARN CC1=C/C(=N\OC(=O)c2ccccc2Br)C(C(C)C)=CC1=O ZINC000012377455 219987818 /nfs/dbraw/zinc/98/78/18/219987818.db2.gz OSVWNHNKTGVCPN-XDJHFCHBSA-N 0 0 362.223 4.073 50 30 FIEARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc2)cs1 ZINC000012564007 220008214 /nfs/dbraw/zinc/00/82/14/220008214.db2.gz DGTHXDYDZRQMFU-ZDUSSCGKSA-N 0 0 362.458 4.429 50 30 FIEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 ZINC000012662417 220016799 /nfs/dbraw/zinc/01/67/99/220016799.db2.gz MQHPUTJGJBPVBB-NDENLUEZSA-N 0 0 364.397 4.434 50 30 biogenic FIEARN COc1cc(C#N)ccc1OCc1csc(COc2ccc(F)cc2)n1 ZINC000012812339 220033063 /nfs/dbraw/zinc/03/30/63/220033063.db2.gz 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220070111 /nfs/dbraw/zinc/07/01/11/220070111.db2.gz AMCRMUKGQKGMDN-XNTDXEJSSA-N 0 0 374.849 4.249 50 30 FIEARN C[C@](O)(C#Cc1ccccc1)c1ccc([C@](C)(O)C#Cc2ccccc2)cc1 ZINC000013658449 220081748 /nfs/dbraw/zinc/08/17/48/220081748.db2.gz JJWICWWJUHELCN-WMPKNSHKSA-N 0 0 366.460 4.205 50 30 FIEARN COc1ccc(-c2ccc(CCC(=O)Nc3sccc3C#N)o2)cc1 ZINC000014160438 220110539 /nfs/dbraw/zinc/11/05/39/220110539.db2.gz NMSFSRNDVBLMFQ-UHFFFAOYSA-N 0 0 352.415 4.460 50 30 FIEARN N#Cc1ccc(OCCSc2n[nH]c(C=Cc3ccc(F)cc3)n2)cc1 ZINC000014897880 220135013 /nfs/dbraw/zinc/13/50/13/220135013.db2.gz LNPVZVRNZRWWGC-BJMVGYQFSA-N 0 0 366.421 4.157 50 30 FIEARN N#Cc1cccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000015294355 220150464 /nfs/dbraw/zinc/15/04/64/220150464.db2.gz JPJPTVXKSVTNDZ-UHFFFAOYSA-N 0 0 369.468 4.309 50 30 FIEARN COc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cn1 ZINC000015227486 220150589 /nfs/dbraw/zinc/15/05/89/220150589.db2.gz QTSSDMAHBSXBSY-XDHOZWIPSA-N 0 0 356.223 4.394 50 30 FIEARN N#Cc1ccccc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000016089732 220177516 /nfs/dbraw/zinc/17/75/16/220177516.db2.gz XKBVDFYANWSZLM-UHFFFAOYSA-N 0 0 362.621 4.286 50 30 FIEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1 ZINC000017027570 220200356 /nfs/dbraw/zinc/20/03/56/220200356.db2.gz XPCMPMJIYXGPQP-ZSEKCTLFSA-N 0 0 350.418 4.443 50 30 FIEARN CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017073740 220203701 /nfs/dbraw/zinc/20/37/01/220203701.db2.gz SHNVAZCHEZCIOL-OBGWFSINSA-N 0 0 357.262 4.086 50 30 FIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)no1 ZINC000017245812 220212219 /nfs/dbraw/zinc/21/22/19/220212219.db2.gz DPWRSMMXBGISFS-IBGZPJMESA-N 0 0 374.396 4.074 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(O)cc1 ZINC000017437242 220214911 /nfs/dbraw/zinc/21/49/11/220214911.db2.gz YWRZMZQUHGUGGB-IBGZPJMESA-N 0 0 371.436 4.330 50 30 FIEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc1 ZINC000018197148 220228159 /nfs/dbraw/zinc/22/81/59/220228159.db2.gz AMQPTTPKCKUMLJ-OAQYLSRUSA-N 0 0 365.429 4.277 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 ZINC000019418916 220255432 /nfs/dbraw/zinc/25/54/32/220255432.db2.gz MICSRMBZPCOSOE-UHFFFAOYSA-N 0 0 350.462 4.055 50 30 FIEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1[N+](=O)[O-] ZINC000019733017 220291280 /nfs/dbraw/zinc/29/12/80/220291280.db2.gz XSAZCOUOGDJIBM-UHFFFAOYSA-N 0 0 356.451 4.394 50 30 FIEARN Cc1nc(NCc2cccc(C(F)(F)F)c2)c(C#N)c(C)c1[N+](=O)[O-] ZINC000019732761 220291458 /nfs/dbraw/zinc/29/14/58/220291458.db2.gz DSQPUTXGLDUEEP-UHFFFAOYSA-N 0 0 350.300 4.109 50 30 FIEARN O=[N+](Cc1cc(Br)c([O-])c(Br)c1)c1ccccc1 ZINC000019879627 220302798 /nfs/dbraw/zinc/30/27/98/220302798.db2.gz BQSSFWKJUJSXQH-PXNMLYILSA-N 0 0 371.028 4.178 50 30 FIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000019882207 220303817 /nfs/dbraw/zinc/30/38/17/220303817.db2.gz QPOWVFQWONVQKZ-ZVHZXABRSA-N 0 0 361.411 4.166 50 30 FIEARN CCN(c1ccccc1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000020060328 220310615 /nfs/dbraw/zinc/31/06/15/220310615.db2.gz HOHYEXHLWBWZDT-UHFFFAOYSA-N 0 0 360.457 4.290 50 30 FIEARN C=CCSc1nc2sc3c(c2c(N)n1)CCN(Cc1ccccc1)C3 ZINC000020264327 220319860 /nfs/dbraw/zinc/31/98/60/220319860.db2.gz YFYIEMGGEHXYIZ-UHFFFAOYSA-N 0 0 368.531 4.110 50 30 FIEARN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020573683 220333283 /nfs/dbraw/zinc/33/32/83/220333283.db2.gz WABAKMRZAIJNGU-VUFYJBQKSA-N 0 0 364.445 4.086 50 30 FIEARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1cccs1 ZINC000021681320 220363926 /nfs/dbraw/zinc/36/39/26/220363926.db2.gz SKUJZUNAVGLLDM-UHFFFAOYSA-N 0 0 355.488 4.399 50 30 FIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1 ZINC000036354833 220812696 /nfs/dbraw/zinc/81/26/96/220812696.db2.gz MZYGKDUQCMVRNZ-IBGZPJMESA-N 0 0 373.412 4.017 50 30 FIEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)c1 ZINC000040288613 220900538 /nfs/dbraw/zinc/90/05/38/220900538.db2.gz 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/nfs/dbraw/zinc/05/60/45/221056045.db2.gz RLFAACQTAAAQBK-UHFFFAOYSA-N 0 0 369.396 4.074 50 30 FIEARN CCOc1cc(C#N)ccc1OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000054914149 221056662 /nfs/dbraw/zinc/05/66/62/221056662.db2.gz VOGYAPFDYJVHIP-UHFFFAOYSA-N 0 0 364.445 4.162 50 30 FIEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000065331429 221200870 /nfs/dbraw/zinc/20/08/70/221200870.db2.gz IFMVMHPYVXEQIB-GOSISDBHSA-N 0 0 363.392 4.050 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OC ZINC000069374830 221325240 /nfs/dbraw/zinc/32/52/40/221325240.db2.gz FYEOJSDUEKFCBA-VQIMIIECSA-N 0 0 356.443 4.076 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OCC ZINC000069374986 221325343 /nfs/dbraw/zinc/32/53/43/221325343.db2.gz UIHWCIJKKHZSSE-XLIONFOSSA-N 0 0 370.470 4.466 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1OC ZINC000069374822 221325728 /nfs/dbraw/zinc/32/57/28/221325728.db2.gz FYEOJSDUEKFCBA-QFBILLFUSA-N 0 0 356.443 4.076 50 30 FIEARN N#Cc1c(N)nc(-c2cnn(-c3cccc(Cl)c3)c2)cc1-c1cccnc1 ZINC000071415583 221346524 /nfs/dbraw/zinc/34/65/24/221346524.db2.gz OMRJILTXMFSNKL-UHFFFAOYSA-N 0 0 372.819 4.104 50 30 FIEARN OCC#Cc1ccc(-c2nccn2-c2cccc(-c3cscn3)c2)s1 ZINC000071750121 221362109 /nfs/dbraw/zinc/36/21/09/221362109.db2.gz SXIPOVHADOAADR-UHFFFAOYSA-N 0 0 363.467 4.068 50 30 FIEARN CC1(C)C[C@@H](c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)CCO1 ZINC000071774827 221374992 /nfs/dbraw/zinc/37/49/92/221374992.db2.gz GVPBMQKEEWXZBP-JTQLQIEISA-N 0 0 361.367 4.292 50 30 FIEARN N#Cc1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000078880183 132192677 /nfs/dbraw/zinc/19/26/77/132192677.db2.gz AWKVEPZNQQCBLT-HNNXBMFYSA-N 0 0 366.371 4.270 50 30 FIEARN O=C(c1ccccc1F)C1=C2NC(=O)c3ccccc3N2Cc2ccccc21 ZINC000001806952 132252981 /nfs/dbraw/zinc/25/29/81/132252981.db2.gz YXARHSZGHCFDNP-UHFFFAOYSA-N 0 0 370.383 4.141 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCc4ccccc43)sc2C1 ZINC000002627500 132383778 /nfs/dbraw/zinc/38/37/78/132383778.db2.gz 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O=[N+]([O-])c1ccc(N=NC2CCCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000100844657 222255343 /nfs/dbraw/zinc/25/53/43/222255343.db2.gz OXWJCYWFEMNOSV-YSYRGXBVSA-N 0 0 355.354 4.024 50 30 FIEARN CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(Cl)cc1 ZINC000100988874 222259295 /nfs/dbraw/zinc/25/92/95/222259295.db2.gz OAMWNCSRZPENCH-QJKHVWQHSA-N 0 0 373.821 4.482 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102514910 222298731 /nfs/dbraw/zinc/29/87/31/222298731.db2.gz MCJQRIRMVGZTGT-NHFXJNLRSA-N 0 0 373.408 4.210 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000102860061 222310822 /nfs/dbraw/zinc/31/08/22/222310822.db2.gz PROGQNQPLFBVCZ-SELCWUDQSA-N 0 0 353.393 4.048 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000104124503 222349555 /nfs/dbraw/zinc/34/95/55/222349555.db2.gz SEERVJRHIZOEMS-YDJIHCHBSA-N 0 0 373.383 4.452 50 30 FIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)n1 ZINC000104201763 222352164 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C=CCSc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 ZINC000035671477 519088629 /nfs/dbraw/zinc/08/86/29/519088629.db2.gz XDWNONOFMKOKLK-UHFFFAOYSA-N 0 0 358.448 4.032 50 30 FIEARN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1O ZINC000013119352 519125871 /nfs/dbraw/zinc/12/58/71/519125871.db2.gz VCXYZZDKFSPETH-XQNSMLJCSA-N 0 0 366.461 4.107 50 30 FIEARN C=CCn1c2ccc(Cl)cc2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100874279 519262372 /nfs/dbraw/zinc/26/23/72/519262372.db2.gz BIWOUBLXWUAWPX-VZCXRCSSSA-N 0 0 370.861 4.486 50 30 FIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000005789795 519747558 /nfs/dbraw/zinc/74/75/58/519747558.db2.gz UROZBGGGZQGOBX-CAMSTOTOSA-N 0 0 364.397 4.189 50 30 biogenic FIEARN CC(C)OCCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000040049158 519756955 /nfs/dbraw/zinc/75/69/55/519756955.db2.gz FZFOMGGENQZETE-UHFFFAOYSA-N 0 0 352.381 4.324 50 30 FIEARN CCOc1cc2c(cc1/C=C/C(=O)c1ccc(O)c(OC)c1)O[C@H](C)C2 ZINC000008322795 520788771 /nfs/dbraw/zinc/78/87/71/520788771.db2.gz 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COc1ccc(C(=O)C(=CNc2ccccc2C)C(=O)C(F)(F)F)cc1 ZINC000100862316 523534978 /nfs/dbraw/zinc/53/49/78/523534978.db2.gz LLNSOIYMQXBKTQ-PTNGSMBKSA-N 0 0 363.335 4.314 50 30 FIEARN CN(C)/C=C(/C(=O)c1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000075172845 523967425 /nfs/dbraw/zinc/96/74/25/523967425.db2.gz GIUSHALTNVVAIW-CJLVFECKSA-N 0 0 358.441 4.446 50 30 FIEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O ZINC000005825413 524317799 /nfs/dbraw/zinc/31/77/99/524317799.db2.gz XJWDCRZWMVWAHE-YZFGBBDKSA-N 0 0 364.397 4.429 50 30 biogenic FIEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000239030795 524377612 /nfs/dbraw/zinc/37/76/12/524377612.db2.gz CISDPLLALZSHJW-UHFFFAOYSA-N 0 0 366.490 4.422 50 30 FIEARN COc1ccc([C@@H](/C=N/OCc2ccc(Cl)cc2)C(C)=O)cc1OC ZINC000005283737 525115883 /nfs/dbraw/zinc/11/58/83/525115883.db2.gz AEXQMGUYGBLMQU-RYFGYPJOSA-N 0 0 361.825 4.232 50 30 FIEARN Cc1cn2c(/C=C\C(=O)c3cccc(N4CCCC4=O)c3)c(C)nc2s1 ZINC000096930415 525912689 /nfs/dbraw/zinc/91/26/89/525912689.db2.gz 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FIEARN CCN(CC)C(=O)c1sc(NC(=O)CCC2CCCC2)c(C#N)c1C ZINC000006046264 571111896 /nfs/dbraw/zinc/11/18/96/571111896.db2.gz JNZWMAUOFPDXRZ-UHFFFAOYSA-N 0 0 361.511 4.319 50 30 FIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccco1 ZINC000013778135 571114492 /nfs/dbraw/zinc/11/44/92/571114492.db2.gz ZWSUXCWPYHNRSI-ZDLGFXPLSA-N 0 0 350.301 4.254 50 30 FIEARN CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2cccnc2)cc1 ZINC000001464818 571115800 /nfs/dbraw/zinc/11/58/00/571115800.db2.gz JQSICVJEJVDCCJ-OEAKJJBVSA-N 0 0 359.385 4.010 50 30 FIEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000012575965 571118248 /nfs/dbraw/zinc/11/82/48/571118248.db2.gz HUWORFFVVUVYPL-QHCPKHFHSA-N 0 0 368.521 4.117 50 30 FIEARN C=CCn1c(SCc2cc(C)no2)nc2scc(C3CC3)c2c1=O ZINC000014196419 571120945 /nfs/dbraw/zinc/12/09/45/571120945.db2.gz VAKSGPGFFAIVSR-UHFFFAOYSA-N 0 0 359.476 4.110 50 30 FIEARN COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000025056964 571123260 /nfs/dbraw/zinc/12/32/60/571123260.db2.gz 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/nfs/dbraw/zinc/14/61/15/571146115.db2.gz BLKFCSMIWBSHTK-UHFFFAOYSA-N 0 0 360.307 4.438 50 30 FIEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043759616 571150705 /nfs/dbraw/zinc/15/07/05/571150705.db2.gz LFSRETZWVUHKLB-FQULXSMESA-N 0 0 356.506 4.245 50 30 FIEARN O=C(Nc1ccc(Cl)cn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097950993 571153103 /nfs/dbraw/zinc/15/31/03/571153103.db2.gz TZMVVYSWXBVMGO-UHFFFAOYSA-N 0 0 374.590 4.142 50 30 FIEARN CCOc1ccccc1O[C@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N ZINC000075148722 571156877 /nfs/dbraw/zinc/15/68/77/571156877.db2.gz LXNUOAWBGVZVCN-STQMWFEESA-N 0 0 363.870 4.479 50 30 FIEARN N#Cc1ccc(COCC2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000075156590 571157172 /nfs/dbraw/zinc/15/71/72/571157172.db2.gz JONNIOCSWROKHB-ZHACJKMWSA-N 0 0 360.457 4.027 50 30 FIEARN Cc1cc(NN=Cc2cc(Br)ccc2O)nc2ccccc12 ZINC000004677976 571158255 /nfs/dbraw/zinc/15/82/55/571158255.db2.gz XWEYJHXJCPJLIR-VXLYETTFSA-N 0 0 356.223 4.457 50 30 FIEARN Cc1cc(CNc2nc3c(cccc3C#N)n2C)ccc1Br ZINC000225642754 571163360 /nfs/dbraw/zinc/16/33/60/571163360.db2.gz BSUSWKNCGZAWPO-UHFFFAOYSA-N 0 0 355.239 4.128 50 30 FIEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257347017 571163561 /nfs/dbraw/zinc/16/35/61/571163561.db2.gz MPXJSJVWSXWSNI-ZKLLGZCPSA-N 0 0 372.505 4.265 50 30 FIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257356665 571163744 /nfs/dbraw/zinc/16/37/44/571163744.db2.gz JOIVCMKYTDBOIY-QKZWPURJSA-N 0 0 356.506 4.491 50 30 FIEARN CCOc1cc(C=O)cc(Br)c1OCc1ccccc1C#N ZINC000001172533 571164185 /nfs/dbraw/zinc/16/41/85/571164185.db2.gz BDUBORBJCCHXRE-UHFFFAOYSA-N 0 0 360.207 4.111 50 30 FIEARN O=C(OC[C@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1)c1ccccc1 ZINC000006222790 571167176 /nfs/dbraw/zinc/16/71/76/571167176.db2.gz NSZKHGKESHZBNP-FUXGKZBVSA-N 0 0 371.502 4.300 50 30 FIEARN N#Cc1ccc(OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000005868242 571167342 /nfs/dbraw/zinc/16/73/42/571167342.db2.gz ZVVLINRKMRPQGR-UHFFFAOYSA-N 0 0 369.270 4.023 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000004123945 571170807 /nfs/dbraw/zinc/17/08/07/571170807.db2.gz CXQOOSUYYIPBGI-QGZVFWFLSA-N 0 0 364.430 4.025 50 30 FIEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000003901637 571189162 /nfs/dbraw/zinc/18/91/62/571189162.db2.gz YFKJIKMHVVCAAM-FQEVSTJZSA-N 0 0 369.461 4.006 50 30 FIEARN CCN(CCC(F)(F)F)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000078993040 571201908 /nfs/dbraw/zinc/20/19/08/571201908.db2.gz JWHLTWLBBQHLHC-UHFFFAOYSA-N 0 0 366.305 4.041 50 30 FIEARN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccn1C ZINC000009042268 571204771 /nfs/dbraw/zinc/20/47/71/571204771.db2.gz INPMKGYYZKWCDW-NRFANRHFSA-N 0 0 363.461 4.188 50 30 biogenic FIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C ZINC000004026280 571205097 /nfs/dbraw/zinc/20/50/97/571205097.db2.gz VUOXWYSHLSLTID-HPAIXVDQSA-N 0 0 352.474 4.486 50 30 biogenic FIEARN N#CC1(c2ccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)cc2)CCCC1 ZINC000534633524 571207033 /nfs/dbraw/zinc/20/70/33/571207033.db2.gz JPLDXMNOEHMOCL-OAQYLSRUSA-N 0 0 360.457 4.208 50 30 FIEARN Cc1c(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000006527518 571207118 /nfs/dbraw/zinc/20/71/18/571207118.db2.gz CIRZVYVCENJFBI-DJKKODMXSA-N 0 0 358.854 4.446 50 30 FIEARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C#N)Cc1ccc(C)cc1 ZINC000006586790 571210503 /nfs/dbraw/zinc/21/05/03/571210503.db2.gz ATJZVEMRNJMXBJ-LJQANCHMSA-N 0 0 362.502 4.424 50 30 FIEARN CCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c(O)c1 ZINC000033286131 571229971 /nfs/dbraw/zinc/22/99/71/571229971.db2.gz CZUOIASXDCXGKB-SXGWCWSVSA-N 0 0 374.849 4.336 50 30 FIEARN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O ZINC000033286806 571230047 /nfs/dbraw/zinc/23/00/47/571230047.db2.gz NKDBDBMHHBPIRN-WQRHYEAKSA-N 0 0 363.442 4.188 50 30 FIEARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000004751354 571231309 /nfs/dbraw/zinc/23/13/09/571231309.db2.gz KZRPOIQLZXEILQ-CQSZACIVSA-N 0 0 372.298 4.069 50 30 FIEARN O=c1[nH]c(NN=Cc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000004786336 571236150 /nfs/dbraw/zinc/23/61/50/571236150.db2.gz RXYRKPOLEVRXMD-BUVRLJJBSA-N 0 0 370.456 4.251 50 30 FIEARN COc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000006786653 571246440 /nfs/dbraw/zinc/24/64/40/571246440.db2.gz HSGJWHZSGUMRJE-NMWGTECJSA-N 0 0 362.429 4.377 50 30 FIEARN Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N(C)C)o3)cccc2c1=O ZINC000036366253 571250370 /nfs/dbraw/zinc/25/03/70/571250370.db2.gz DLYXGRWPIMZGHY-UHFFFAOYSA-N 0 0 371.396 4.361 50 30 FIEARN COc1cccc(-c2nnc(S[C@H](C)C#N)n2-c2ccc(C)cc2)c1 ZINC000006865506 571251187 /nfs/dbraw/zinc/25/11/87/571251187.db2.gz WNSFCVRUFYUTAZ-CQSZACIVSA-N 0 0 350.447 4.256 50 30 FIEARN C=CCn1c2ccccc2nc1S[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000006933361 571255001 /nfs/dbraw/zinc/25/50/01/571255001.db2.gz AZOHUFGZDCUADJ-LJQANCHMSA-N 0 0 363.486 4.334 50 30 FIEARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)c1C ZINC000007371393 571264940 /nfs/dbraw/zinc/26/49/40/571264940.db2.gz LVDWIRWSOQLNSO-AWEZNQCLSA-N 0 0 355.463 4.081 50 30 FIEARN N#Cc1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000007512684 571267220 /nfs/dbraw/zinc/26/72/20/571267220.db2.gz FSBFNLRJGQDNGG-UHFFFAOYSA-N 0 0 363.442 4.377 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1C ZINC000170618151 571268443 /nfs/dbraw/zinc/26/84/43/571268443.db2.gz XYBGQJOSFVHKFD-KNQAVFIVSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000170618310 571268601 /nfs/dbraw/zinc/26/86/01/571268601.db2.gz NIDNJSQKQDNMFY-WIYYLYMNSA-N 0 0 368.404 4.154 50 30 FIEARN COc1cc(OC)c(OC)cc1C=Nc1sc2c(c1C#N)CCCC2 ZINC000252452864 571278789 /nfs/dbraw/zinc/27/87/89/571278789.db2.gz JDISQRWSRHTFFB-UHFFFAOYSA-N 0 0 356.447 4.275 50 30 FIEARN Cc1nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2n1-c1ccccc1 ZINC000007594923 571279264 /nfs/dbraw/zinc/27/92/64/571279264.db2.gz PRLVFFHXCQWNQM-UHFFFAOYSA-N 0 0 352.397 4.458 50 30 FIEARN COc1ccc(C=NOCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000252590142 571283758 /nfs/dbraw/zinc/28/37/58/571283758.db2.gz APLOEDWMACDBMW-UHFFFAOYSA-N 0 0 374.440 4.279 50 30 FIEARN CCOc1ccc(N=C2S/C(=C/c3ccccc3O)C(=O)N2CC)cc1 ZINC000252620579 571287487 /nfs/dbraw/zinc/28/74/87/571287487.db2.gz MHBVTNVIUJLDAD-ORZNGPHRSA-N 0 0 368.458 4.415 50 30 FIEARN Cc1nc2sc3c(c2c(=O)n1N=Cc1ccccc1Cl)CCCC3 ZINC000252620486 571287520 /nfs/dbraw/zinc/28/75/20/571287520.db2.gz MEXQJOHKBXJNQF-UHFFFAOYSA-N 0 0 357.866 4.181 50 30 FIEARN N#Cc1c(F)cccc1NC1CCN(c2nc3ccccc3s2)CC1 ZINC000065947100 571287674 /nfs/dbraw/zinc/28/76/74/571287674.db2.gz UBGBMJYGHAVQEC-UHFFFAOYSA-N 0 0 352.438 4.388 50 30 FIEARN CCc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc1 ZINC000252622832 571288345 /nfs/dbraw/zinc/28/83/45/571288345.db2.gz ODSRQKSHWIFJEV-UFDOISBISA-N 0 0 366.486 4.499 50 30 FIEARN CCc1nc2sc3c(c2c(N=NCc2ccccc2O)n1)CCCC3 ZINC000252624419 571288714 /nfs/dbraw/zinc/28/87/14/571288714.db2.gz PNPDTQYPRMKQGC-UHFFFAOYSA-N 0 0 352.463 4.284 50 30 FIEARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=NO)CC(C)(C)C2 ZINC000252631411 571289842 /nfs/dbraw/zinc/28/98/42/571289842.db2.gz VKTCYUMDWRKJKF-UHFFFAOYSA-N 0 0 352.434 4.384 50 30 FIEARN CCCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000002273652 571294645 /nfs/dbraw/zinc/29/46/45/571294645.db2.gz XXEKOYWHHZUQKG-UHFFFAOYSA-N 0 0 364.445 4.019 50 30 FIEARN CC(C)(C)OC(=O)N(Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000147107279 571307356 /nfs/dbraw/zinc/30/73/56/571307356.db2.gz HWGOYVJTJXKGNB-UHFFFAOYSA-N 0 0 350.390 4.370 50 30 FIEARN CCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)c(OCC)c1 ZINC000002290496 571314701 /nfs/dbraw/zinc/31/47/01/571314701.db2.gz CHHPJCAHUWFTNV-GZTJUZNOSA-N 0 0 371.820 4.482 50 30 FIEARN Cc1ccc(-n2cc(C3CCN(C(=O)c4cccc(C#N)c4)CC3)cn2)cc1 ZINC000075500779 571319964 /nfs/dbraw/zinc/31/99/64/571319964.db2.gz JHSOBQZOTUFTHP-UHFFFAOYSA-N 0 0 370.456 4.072 50 30 FIEARN CCCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O ZINC000002374642 571320056 /nfs/dbraw/zinc/32/00/56/571320056.db2.gz CYTXMRFCJPRIAQ-UHFFFAOYSA-N 0 0 356.466 4.192 50 30 FIEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1C ZINC000009328154 571321203 /nfs/dbraw/zinc/32/12/03/571321203.db2.gz CHNPFRHAGHOTIS-UHFFFAOYSA-N 0 0 362.458 4.120 50 30 FIEARN C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012419211 571322410 /nfs/dbraw/zinc/32/24/10/571322410.db2.gz ZYYWWHYTPTXTMG-UHFFFAOYSA-N 0 0 354.431 4.081 50 30 FIEARN C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012419209 571322418 /nfs/dbraw/zinc/32/24/18/571322418.db2.gz WYNAPLQOGLRKHB-UHFFFAOYSA-N 0 0 368.458 4.389 50 30 FIEARN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc([N+](=O)[O-])cc3C#N)cc2)n1 ZINC000079106190 571326979 /nfs/dbraw/zinc/32/69/79/571326979.db2.gz HREFVYIITXWOLQ-HNNXBMFYSA-N 0 0 361.405 4.442 50 30 FIEARN COc1ccccc1Nc1nc2sc(C(=O)N[C@H](C)CC#N)cc2s1 ZINC000095350457 571328867 /nfs/dbraw/zinc/32/88/67/571328867.db2.gz UGMGPQIKSCRYSE-SNVBAGLBSA-N 0 0 372.475 4.142 50 30 FIEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2Cl)nc1N1CCOCC1 ZINC000020387955 571329173 /nfs/dbraw/zinc/32/91/73/571329173.db2.gz WYSSWELDYMNWDK-UHFFFAOYSA-N 0 0 367.758 4.129 50 30 FIEARN C[C@@H](C#N)N(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000095961689 571333026 /nfs/dbraw/zinc/33/30/26/571333026.db2.gz AXQPZYAIZYXCMR-VIFPVBQESA-N 0 0 361.275 4.162 50 30 FIEARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N ZINC000096010329 571333919 /nfs/dbraw/zinc/33/39/19/571333919.db2.gz KUNVEBCZHXRTIN-SNVBAGLBSA-N 0 0 361.810 4.239 50 30 FIEARN C=CCN(Cc1cccs1)C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000096401327 571335793 /nfs/dbraw/zinc/33/57/93/571335793.db2.gz AXQVOLXFBVTVFK-WAYWQWQTSA-N 0 0 363.895 4.339 50 30 FIEARN C=CCn1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1C1CCCCC1 ZINC000003362429 571348377 /nfs/dbraw/zinc/34/83/77/571348377.db2.gz STUZIEFSKPZRJL-UHFFFAOYSA-N 0 0 369.450 4.443 50 30 FIEARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000003429780 571349521 /nfs/dbraw/zinc/34/95/21/571349521.db2.gz NZOFZPHLIYOCEJ-WBVHZDCISA-N 0 0 361.445 4.063 50 30 FIEARN CCCCN(C(=O)COc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000003430093 571349536 /nfs/dbraw/zinc/34/95/36/571349536.db2.gz WIJUYSZPHQXCJM-UHFFFAOYSA-N 0 0 365.458 4.380 50 30 FIEARN C=CCOc1ccc(CN(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000003439406 571349705 /nfs/dbraw/zinc/34/97/05/571349705.db2.gz LBQRNKSOVVBZMY-UHFFFAOYSA-N 0 0 360.457 4.475 50 30 FIEARN COc1ccccc1-c1nnc(SCC#N)n1-c1ccc(Cl)cc1 ZINC000003543371 571350916 /nfs/dbraw/zinc/35/09/16/571350916.db2.gz VTNXCQADGHBOTL-UHFFFAOYSA-N 0 0 356.838 4.212 50 30 FIEARN N#Cc1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCCC2 ZINC000004008752 571353891 /nfs/dbraw/zinc/35/38/91/571353891.db2.gz DKWIFLDMEPEEFR-OAHLLOKOSA-N 0 0 372.490 4.093 50 30 biogenic FIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000004033271 571354324 /nfs/dbraw/zinc/35/43/24/571354324.db2.gz JCIBGSSFUSPPBR-OAHLLOKOSA-N 0 0 363.848 4.152 50 30 FIEARN O=[N+]([O-])c1ccc(N2CCCC2)c(C=[NH+][N-]c2nc3ccccc3s2)c1 ZINC000004106516 571355296 /nfs/dbraw/zinc/35/52/96/571355296.db2.gz LUYYUXAVLPYYCK-XDHOZWIPSA-N 0 0 367.434 4.251 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000004119629 571355574 /nfs/dbraw/zinc/35/55/74/571355574.db2.gz NUWVCJVPVQOPRQ-AZUAARDMSA-N 0 0 356.368 4.284 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000004119632 571355576 /nfs/dbraw/zinc/35/55/76/571355576.db2.gz NUWVCJVPVQOPRQ-QUCCMNQESA-N 0 0 356.368 4.284 50 30 FIEARN Cc1ccc(-c2nc3n(n2)[C@H](c2ccccc2F)C2C(=O)CCCC2=N3)cc1 ZINC000004279827 571357570 /nfs/dbraw/zinc/35/75/70/571357570.db2.gz RXFDNYGQLUARIJ-HXUWFJFHSA-N 0 0 374.419 4.415 50 30 FIEARN CC[NH+](CC)Cc1cc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000023424166 1083442601 /nfs/dbraw/zinc/44/26/01/1083442601.db2.gz KPFFWLUIPKAAGD-PKNBQFBNSA-N 0 0 354.406 4.038 50 30 FIEARN CC1(C)C[C@@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)c2ccccc2O1 ZINC000333162633 1085168834 /nfs/dbraw/zinc/16/88/34/1085168834.db2.gz OGKXVRCRRFGNPY-QGZVFWFLSA-N 0 0 361.445 4.115 50 30 FIEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000098055263 1088773928 /nfs/dbraw/zinc/77/39/28/1088773928.db2.gz KCGXYZWCQLQXCE-TWGQIWQCSA-N 0 0 358.357 4.158 50 30 FIEARN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1[C@H](C)C1CC1 ZINC000329407020 1090648168 /nfs/dbraw/zinc/64/81/68/1090648168.db2.gz AZHIINMIFWAHCT-OZOXKJRCSA-N 0 0 362.477 4.075 50 30 FIEARN CCc1nc(C2(NC(=O)[C@H]3CCc4cc(C)ccc4O3)CCCC2)no1 ZINC000330021874 1091137150 /nfs/dbraw/zinc/13/71/50/1091137150.db2.gz YOXSQYKUVOQXFB-MRXNPFEDSA-N 0 0 355.438 4.060 50 30 FIEARN Cc1ccc(NC(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)s1 ZINC000330057162 1091145066 /nfs/dbraw/zinc/14/50/66/1091145066.db2.gz XABKRDWNDIPVLH-CQSZACIVSA-N 0 0 364.471 4.057 50 30 FIEARN CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC(C)(C)c1cccs1 ZINC000330267914 1095442839 /nfs/dbraw/zinc/44/28/39/1095442839.db2.gz IIYAAVWANQXFIQ-HNNXBMFYSA-N 0 0 360.527 4.383 50 30 FIEARN CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)ccn1 ZINC000330943849 1104688212 /nfs/dbraw/zinc/68/82/12/1104688212.db2.gz DQYXHEPTEDUCMJ-JSGCOSHPSA-N 0 0 373.419 4.336 50 30 FIEARN Cn1ccnc1COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 ZINC000097152217 1111902367 /nfs/dbraw/zinc/90/23/67/1111902367.db2.gz TYJMTMCOWIFCSR-WTKPLQERSA-N 0 0 354.356 4.173 50 30 FIEARN FC(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1 ZINC000002286669 1122044135 /nfs/dbraw/zinc/04/41/35/1122044135.db2.gz AMNMECIEYVKZMZ-UHFFFAOYSA-N 0 0 364.167 4.245 50 30 FIEARN CCNc1ccc(C#N)cc1NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000528827120 1122151681 /nfs/dbraw/zinc/15/16/81/1122151681.db2.gz WAUKODAMXABHQY-QGZVFWFLSA-N 0 0 357.360 4.029 50 30 FIEARN COc1cc(C(=O)/C=C\c2c(F)cccc2Cl)cc(OC)c1OC ZINC000033467009 1122544106 /nfs/dbraw/zinc/54/41/06/1122544106.db2.gz QIDOWOUYCLRWCK-FPLPWBNLSA-N 0 0 350.773 4.401 50 30 FIEARN C=CCN1C[C@@H](c2nc3ccccc3n2C/C=C\c2ccccc2)CC1=O ZINC000033477717 1122563221 /nfs/dbraw/zinc/56/32/21/1122563221.db2.gz FVLDJDMKLJJCMG-POGDKVGISA-N 0 0 357.457 4.252 50 30 FIEARN COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000000636889 219307685 /nfs/dbraw/zinc/30/76/85/219307685.db2.gz SGHVJZDHRSSUKU-UHFFFAOYSA-N 0 0 357.837 4.050 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000000654781 219310396 /nfs/dbraw/zinc/31/03/96/219310396.db2.gz XDBXAJKKOZZJCE-QGZVFWFLSA-N 0 0 365.816 4.081 50 30 FIEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000000637513 219307786 /nfs/dbraw/zinc/30/77/86/219307786.db2.gz YVKUCXPWFSNDQB-QGZVFWFLSA-N 0 0 353.219 4.469 50 30 FIEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)s1 ZINC000000652057 219309586 /nfs/dbraw/zinc/30/95/86/219309586.db2.gz CTDFKSYSRIHXOD-NTUHNPAUSA-N 0 0 358.160 4.012 50 30 FIEARN COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Br)c1O ZINC000000656919 219310709 /nfs/dbraw/zinc/31/07/09/219310709.db2.gz TYKPRMJYWXJWMX-RIYZIHGNSA-N 0 0 363.232 4.493 50 30 FIEARN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccc(OC)c1 ZINC000000728763 219318040 /nfs/dbraw/zinc/31/80/40/219318040.db2.gz HZCVKLPUAURMHU-UHFFFAOYSA-N 0 0 367.474 4.441 50 30 FIEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000000804077 219323300 /nfs/dbraw/zinc/32/33/00/219323300.db2.gz UXXNENDSEHTONJ-VIFPVBQESA-N 0 0 370.352 4.276 50 30 FIEARN N#Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000000827138 219327488 /nfs/dbraw/zinc/32/74/88/219327488.db2.gz XMZDKJMODUEWCU-UHFFFAOYSA-N 0 0 373.478 4.155 50 30 FIEARN COc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N ZINC000000898922 219337456 /nfs/dbraw/zinc/33/74/56/219337456.db2.gz KULBHBQBRSCFHU-UHFFFAOYSA-N 0 0 363.442 4.154 50 30 FIEARN N#Cc1cc2c(nc1SC[C@H](O)CNc1ccc(Cl)cc1)CCCC2 ZINC000000911452 219339970 /nfs/dbraw/zinc/33/99/70/219339970.db2.gz HOPLHGVZHXVVKK-QGZVFWFLSA-N 0 0 373.909 4.051 50 30 FIEARN N#Cc1cc2c(nc1SC[C@@H](O)CNc1ccc(Cl)cc1)CCCC2 ZINC000000911450 219340337 /nfs/dbraw/zinc/34/03/37/219340337.db2.gz HOPLHGVZHXVVKK-KRWDZBQOSA-N 0 0 373.909 4.051 50 30 FIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000000994757 219351229 /nfs/dbraw/zinc/35/12/29/219351229.db2.gz KDNBJJFZOPJVTD-GFCCVEGCSA-N 0 0 370.474 4.404 50 30 FIEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2)sc1C(=O)OC(C)C ZINC000000996043 219351290 /nfs/dbraw/zinc/35/12/90/219351290.db2.gz ZECJHCPWPUWHRW-UHFFFAOYSA-N 0 0 362.838 4.399 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccs1 ZINC000000957030 219347987 /nfs/dbraw/zinc/34/79/87/219347987.db2.gz GSKSNTOEPDNGER-UHFFFAOYSA-N 0 0 371.487 4.176 50 30 FIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000988612 219349680 /nfs/dbraw/zinc/34/96/80/219349680.db2.gz SRELXCORXXSZPK-LJQANCHMSA-N 0 0 374.396 4.094 50 30 FIEARN CC(=O)c1nn(-c2cccc(Br)c2)c(-c2cccs2)c1C#N ZINC000000987995 219349917 /nfs/dbraw/zinc/34/99/17/219349917.db2.gz IHWVPVHDYZCISJ-UHFFFAOYSA-N 0 0 372.247 4.438 50 30 FIEARN COc1ccc(-n2nc(-c3ccc(Br)cc3)cc2CC#N)cc1 ZINC000000988107 219350381 /nfs/dbraw/zinc/35/03/81/219350381.db2.gz SUSDGWTWUJAYDK-UHFFFAOYSA-N 0 0 368.234 4.376 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)o3)sc2C1 ZINC000000995699 219350733 /nfs/dbraw/zinc/35/07/33/219350733.db2.gz MFDNYBUYJWOWAZ-QMMMGPOBSA-N 0 0 365.252 4.352 50 30 FIEARN Cc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 ZINC000000992025 219350783 /nfs/dbraw/zinc/35/07/83/219350783.db2.gz UQLPIXJDDJZINL-UHFFFAOYSA-N 0 0 351.369 4.265 50 30 FIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000000994756 219350895 /nfs/dbraw/zinc/35/08/95/219350895.db2.gz KDNBJJFZOPJVTD-LBPRGKRZSA-N 0 0 370.474 4.404 50 30 FIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnccn3)sc2C1 ZINC000001054375 219359172 /nfs/dbraw/zinc/35/91/72/219359172.db2.gz DEZBTIWWXQKRMN-LBPRGKRZSA-N 0 0 354.479 4.203 50 30 FIEARN CSc1nnc(-c2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000001122527 219374373 /nfs/dbraw/zinc/37/43/73/219374373.db2.gz DCRIIPVUPKFSKH-VCHYOVAHSA-N 0 0 373.825 4.111 50 30 FIEARN CC(=O)N(c1ccc(Cl)cc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001187460 219387293 /nfs/dbraw/zinc/38/72/93/219387293.db2.gz FTZMJFQBPYBQRI-UHFFFAOYSA-N 0 0 360.196 4.223 50 30 FIEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccs1 ZINC000001306061 219393428 /nfs/dbraw/zinc/39/34/28/219393428.db2.gz GAOINZYBICGWGN-FRKPEAEDSA-N 0 0 355.275 4.484 50 30 FIEARN N#CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 ZINC000002425506 219443257 /nfs/dbraw/zinc/44/32/57/219443257.db2.gz VYSDSXQLBQRZCK-UHFFFAOYSA-N 0 0 356.175 4.125 50 30 FIEARN CCOC(=O)c1sc(NC(=O)CCCc2cccs2)c(C#N)c1C ZINC000003347436 219502376 /nfs/dbraw/zinc/50/23/76/219502376.db2.gz GTAUXLOKCOSSGJ-UHFFFAOYSA-N 0 0 362.476 4.128 50 30 FIEARN N#Cc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000003412261 219507206 /nfs/dbraw/zinc/50/72/06/219507206.db2.gz SQDDTBVYPSWEHG-UHFFFAOYSA-N 0 0 356.425 4.166 50 30 FIEARN COCCN1C(=O)/C(=C/C(C)=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000004526064 219582871 /nfs/dbraw/zinc/58/28/71/219582871.db2.gz BHKPVMOZBPAVKJ-SXERHXCVSA-N 0 0 368.458 4.476 50 30 FIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccccc2)C1=O ZINC000004670405 219593291 /nfs/dbraw/zinc/59/32/91/219593291.db2.gz HMDDLVFBXKPGEV-VBKFSLOCSA-N 0 0 369.417 4.369 50 30 FIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004911254 219622556 /nfs/dbraw/zinc/62/25/56/219622556.db2.gz UOGHAOWYLPPMDJ-LJQANCHMSA-N 0 0 359.473 4.171 50 30 FIEARN O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914650 219624523 /nfs/dbraw/zinc/62/45/23/219624523.db2.gz LXYMGKZOHDWRAO-BBRMVZONSA-N 0 0 369.823 4.483 50 30 FIEARN Cc1c(Cl)cccc1-n1c(S[C@@H](C)C#N)nc2ccccc2c1=O ZINC000004978369 219633582 /nfs/dbraw/zinc/63/35/82/219633582.db2.gz IWCDNJFLTAZRLV-NSHDSACASA-N 0 0 355.850 4.352 50 30 FIEARN CN1c2ccccc2S/C1=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000005173031 219658672 /nfs/dbraw/zinc/65/86/72/219658672.db2.gz PMXQNJWJEZRAQI-POHAHGRESA-N 0 0 359.266 4.472 50 30 FIEARN COCCn1c(SCc2ccccc2C#N)nnc1-c1cccc(C)c1 ZINC000005227916 219662584 /nfs/dbraw/zinc/66/25/84/219662584.db2.gz CMUHGGMKCPRKTD-UHFFFAOYSA-N 0 0 364.474 4.064 50 30 FIEARN CC(=O)N=C(Nc1ccc(-c2ccccc2)cc1)Nc1nc(C)cc(C)n1 ZINC000005587619 219690406 /nfs/dbraw/zinc/69/04/06/219690406.db2.gz XFANIVBJBBIRTQ-UHFFFAOYSA-N 0 0 359.433 4.187 50 30 FIEARN Cc1cc(C(=O)C(=O)Nc2nnc(C)s2)c(C)n1-c1ccc(C)c(C)c1 ZINC000006780983 219769071 /nfs/dbraw/zinc/76/90/71/219769071.db2.gz LEYZLQCMACQYQI-UHFFFAOYSA-N 0 0 368.462 4.342 50 30 FIEARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1cccc(C#N)c1 ZINC000012777791 220028562 /nfs/dbraw/zinc/02/85/62/220028562.db2.gz RWWVEKGRUXLADU-UHFFFAOYSA-N 0 0 363.442 4.463 50 30 FIEARN CCN(CC)c1ccc(-c2nnc(Sc3ncccc3C#N)o2)cc1 ZINC000012740763 220023099 /nfs/dbraw/zinc/02/30/99/220023099.db2.gz WKQQJUXGQSXTJG-UHFFFAOYSA-N 0 0 351.435 4.001 50 30 FIEARN CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000012787275 220030358 /nfs/dbraw/zinc/03/03/58/220030358.db2.gz QMTFXHUQBCLLOP-CQSZACIVSA-N 0 0 368.506 4.462 50 30 FIEARN CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012792264 220030599 /nfs/dbraw/zinc/03/05/99/220030599.db2.gz AMKGVKVPSVWWGJ-IZZDOVSWSA-N 0 0 356.418 4.397 50 30 FIEARN N#Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000012831820 220034699 /nfs/dbraw/zinc/03/46/99/220034699.db2.gz IQOFLWCQCAHCRB-UHFFFAOYSA-N 0 0 360.392 4.014 50 30 FIEARN C=CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000012907380 220041249 /nfs/dbraw/zinc/04/12/49/220041249.db2.gz DKFVLLVTTSSGKU-UHFFFAOYSA-N 0 0 368.440 4.062 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccccc1Cl ZINC000012912525 220042347 /nfs/dbraw/zinc/04/23/47/220042347.db2.gz LSUQKADKQXMSOK-GFCCVEGCSA-N 0 0 353.809 4.395 50 30 FIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012978355 220048736 /nfs/dbraw/zinc/04/87/36/220048736.db2.gz DZUOOERWCCNLGO-DJJJIMSYSA-N 0 0 354.837 4.246 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCSc2ccccc21 ZINC000012991521 220050020 /nfs/dbraw/zinc/05/00/20/220050020.db2.gz HJLLFDSSCKRRFM-INIZCTEOSA-N 0 0 363.442 4.217 50 30 FIEARN N=C(Nc1ccccc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013080690 220057570 /nfs/dbraw/zinc/05/75/70/220057570.db2.gz KHYQZMSXDBWGJI-UHFFFAOYSA-N 0 0 363.368 4.282 50 30 FIEARN COc1cc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1Cl ZINC000013004930 220052005 /nfs/dbraw/zinc/05/20/05/220052005.db2.gz TXTBEWYYOSVOEE-HWKANZROSA-N 0 0 360.793 4.025 50 30 FIEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000013124348 220058325 /nfs/dbraw/zinc/05/83/25/220058325.db2.gz LKLJQQGAAVKYNB-ZROIWOOFSA-N 0 0 359.794 4.140 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(F)c1 ZINC000013140751 220059997 /nfs/dbraw/zinc/05/99/97/220059997.db2.gz KJIUUAKNNZGHRK-UHFFFAOYSA-N 0 0 364.170 4.078 50 30 FIEARN CC(=O)C(=NNc1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000013473570 220068307 /nfs/dbraw/zinc/06/83/07/220068307.db2.gz FGACSPJTLMBVMZ-UHFFFAOYSA-N 0 0 366.646 4.338 50 30 FIEARN CC(=NS(=O)(=O)c1ccc(C)cc1)Nc1cc(C(C)C)c(O)cc1C ZINC000013496415 220071105 /nfs/dbraw/zinc/07/11/05/220071105.db2.gz MGHXWJGPIPVGNI-UHFFFAOYSA-N 0 0 360.479 4.352 50 30 FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)o1 ZINC000013656043 220081773 /nfs/dbraw/zinc/08/17/73/220081773.db2.gz YMUCZYAOTJBNPJ-JQJDFSLLSA-N 0 0 367.445 4.388 50 30 biogenic FIEARN Cc1ccc(N=C2NC(=O)C(=C3c4ccccc4N(C)C3=O)S2)cc1C ZINC000013773754 220092979 /nfs/dbraw/zinc/09/29/79/220092979.db2.gz ZQDOPPIKSPIPEA-MSUUIHNZSA-N 0 0 363.442 4.382 50 30 FIEARN O=C1Nc2cc3oc4ccccc4c3cc2C1=NNc1ccc([N+](=O)[O-])cc1 ZINC000013756569 220093323 /nfs/dbraw/zinc/09/33/23/220093323.db2.gz YFVGONRJBGCOKB-UHFFFAOYSA-N 0 0 372.340 4.263 50 30 FIEARN O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1cccs1 ZINC000013786952 220094374 /nfs/dbraw/zinc/09/43/74/220094374.db2.gz OLTNSVNMEUAJJM-WQLSENKSSA-N 0 0 365.277 4.402 50 30 FIEARN Cc1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2ccccc2)cc1 ZINC000015398251 220153332 /nfs/dbraw/zinc/15/33/32/220153332.db2.gz VOMVURISEAJNOX-UHFFFAOYSA-N 0 0 362.454 4.262 50 30 FIEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccc1F ZINC000016890325 220195119 /nfs/dbraw/zinc/19/51/19/220195119.db2.gz SUPYDYCWFGWJLD-UHFFFAOYSA-N 0 0 365.433 4.495 50 30 FIEARN COc1cc(Nc2c(C#N)cnc3ccc(F)cc32)cc(OC)c1OC ZINC000016943740 220199228 /nfs/dbraw/zinc/19/92/28/220199228.db2.gz LEAWBNOCVXJFQL-UHFFFAOYSA-N 0 0 353.353 4.015 50 30 FIEARN CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC ZINC000017154781 220206751 /nfs/dbraw/zinc/20/67/51/220206751.db2.gz SSYDIPABTIPZKW-LGMDPLHJSA-N 0 0 351.402 4.219 50 30 FIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000018244314 220230158 /nfs/dbraw/zinc/23/01/58/220230158.db2.gz ACDAJNFYXJJGPE-NRFANRHFSA-N 0 0 361.445 4.245 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(O)c1 ZINC000018155937 220225128 /nfs/dbraw/zinc/22/51/28/220225128.db2.gz UMBVIOYTAPHVDS-LJQANCHMSA-N 0 0 371.436 4.330 50 30 FIEARN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCC2)o1 ZINC000018283546 220231877 /nfs/dbraw/zinc/23/18/77/220231877.db2.gz STQZNOLVSXGOQM-PTNGSMBKSA-N 0 0 373.865 4.425 50 30 FIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000019375101 220255245 /nfs/dbraw/zinc/25/52/45/220255245.db2.gz NUQOCWFNLFYZNC-ICSRJNTNSA-N 0 0 372.380 4.001 50 30 FIEARN CCCCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1[N+](=O)[O-] ZINC000019806056 220299876 /nfs/dbraw/zinc/29/98/76/220299876.db2.gz RYQYZXJZFRJYGF-UHFFFAOYSA-N 0 0 356.451 4.394 50 30 FIEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020519050 220331958 /nfs/dbraw/zinc/33/19/58/220331958.db2.gz ZYBHPSDDIOOJIH-BKUYFWCQSA-N 0 0 372.424 4.035 50 30 FIEARN N#Cc1ccc(F)c(COC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000022132576 220377163 /nfs/dbraw/zinc/37/71/63/220377163.db2.gz SHIAILCNMLWXNJ-UHFFFAOYSA-N 0 0 354.164 4.126 50 30 FIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)c(Br)c2)c1 ZINC000022344572 220384365 /nfs/dbraw/zinc/38/43/65/220384365.db2.gz AROSCZBHTYEEIQ-FNORWQNLSA-N 0 0 360.207 4.009 50 30 FIEARN COc1cc(COC(=O)c2cccc(C#N)c2)cc(Cl)c1OC(F)F ZINC000024831221 220462721 /nfs/dbraw/zinc/46/27/21/220462721.db2.gz OWEKWYQZZZDOSP-UHFFFAOYSA-N 0 0 367.735 4.179 50 30 FIEARN Cc1ncc(-c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2)o1 ZINC000029952788 220613676 /nfs/dbraw/zinc/61/36/76/220613676.db2.gz QYDLINULPPCQAQ-UHFFFAOYSA-N 0 0 372.384 4.466 50 30 FIEARN N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)c1 ZINC000047166525 220988135 /nfs/dbraw/zinc/98/81/35/220988135.db2.gz ABUZLEJPWGJOAM-UHFFFAOYSA-N 0 0 373.359 4.275 50 30 FIEARN CCN(C(=O)CCCOc1ccc(C#N)cc1OC)c1cc(C)ccc1C ZINC000049656761 221025978 /nfs/dbraw/zinc/02/59/78/221025978.db2.gz ORFNCRZRSYSLTP-UHFFFAOYSA-N 0 0 366.461 4.396 50 30 FIEARN C=CCc1cc(CN2CCC[C@@H]2c2nc(C)no2)cc(OC)c1OC(C)C ZINC000055168086 221061012 /nfs/dbraw/zinc/06/10/12/221061012.db2.gz JBKFZHRRWPTXOO-GOSISDBHSA-N 0 0 371.481 4.239 50 30 FIEARN Cc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)cc1C ZINC000053727935 221048356 /nfs/dbraw/zinc/04/83/56/221048356.db2.gz MNLVRGUTLYWQJE-HNNXBMFYSA-N 0 0 362.458 4.185 50 30 FIEARN Cc1oc(-c2cccs2)nc1C(=O)OCc1cn2ccccc2c1C#N ZINC000058924042 221124332 /nfs/dbraw/zinc/12/43/32/221124332.db2.gz YCYABKHKUAMYNR-UHFFFAOYSA-N 0 0 363.398 4.193 50 30 FIEARN C=C(Br)CNC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058418707 221118103 /nfs/dbraw/zinc/11/81/03/221118103.db2.gz CUWFIRWPKVTMMA-UHFFFAOYSA-N 0 0 357.207 4.133 50 30 FIEARN O=C(/C=C/c1cnc(N2CCCC2)nc1)c1c[nH]c2cc(Cl)ccc12 ZINC000063413185 221141916 /nfs/dbraw/zinc/14/19/16/221141916.db2.gz YVWSRMVSVQDLFM-ZZXKWVIFSA-N 0 0 352.825 4.108 50 30 FIEARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000065149351 221172404 /nfs/dbraw/zinc/17/24/04/221172404.db2.gz GADZUONJODQGGA-UHFFFAOYSA-N 0 0 350.403 4.108 50 30 FIEARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)C1(C#N)CCC1 ZINC000065513440 221227947 /nfs/dbraw/zinc/22/79/47/221227947.db2.gz HUHXHBMPKJJUKN-UHFFFAOYSA-N 0 0 353.369 4.142 50 30 FIEARN COc1ccccc1Oc1ncccc1CNC(=O)Nc1cccc(C#N)c1 ZINC000067473157 221255160 /nfs/dbraw/zinc/25/51/60/221255160.db2.gz UPLPOKCLWUMUQC-UHFFFAOYSA-N 0 0 374.400 4.076 50 30 FIEARN CN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1(C#N)CCC1 ZINC000067683935 221270967 /nfs/dbraw/zinc/27/09/67/221270967.db2.gz JTSGEPZABPKFSE-UHFFFAOYSA-N 0 0 373.865 4.172 50 30 FIEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071422219 221347999 /nfs/dbraw/zinc/34/79/99/221347999.db2.gz NUJTXYJJEMKTJF-HNNXBMFYSA-N 0 0 354.400 4.321 50 30 FIEARN Cc1nc([C@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)s2)cs1 ZINC000071638954 221353816 /nfs/dbraw/zinc/35/38/16/221353816.db2.gz IHSJNQNRWKOHOJ-LBPRGKRZSA-N 0 0 357.504 4.108 50 30 FIEARN O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cccs1 ZINC000096766408 132225734 /nfs/dbraw/zinc/22/57/34/132225734.db2.gz LZDAYSLWLGCRAB-FPLPWBNLSA-N 0 0 350.443 4.029 50 30 FIEARN C=CCN1C(=O)COc2ccc(NC(=O)c3cccc4ccccc43)cc21 ZINC000032593575 132374312 /nfs/dbraw/zinc/37/43/12/132374312.db2.gz ZTEJGGQWBWOXHI-UHFFFAOYSA-N 0 0 358.397 4.004 50 30 FIEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3ccc(C)cc3)ccc21 ZINC000003036795 132384625 /nfs/dbraw/zinc/38/46/25/132384625.db2.gz HLXDBNXQQJGKJS-KGENOOAVSA-N 0 0 352.507 4.088 50 30 FIEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3cccc(Cl)c3)ccc21 ZINC000003036784 132384686 /nfs/dbraw/zinc/38/46/86/132384686.db2.gz QTDGUQGSPGHANW-FYJGNVAPSA-N 0 0 372.925 4.433 50 30 FIEARN N#Cc1nc(-c2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000027019389 136153397 /nfs/dbraw/zinc/15/33/97/136153397.db2.gz JAZZDOVHGBPQNE-UHFFFAOYSA-N 0 0 364.836 4.193 50 30 FIEARN O=C1c2cc(F)ccc2SC/C1=C\c1cnn(Cc2ccccc2)c1 ZINC000096401363 222120439 /nfs/dbraw/zinc/12/04/39/222120439.db2.gz SSBBUZMFGDGSMJ-LZYBPNLTSA-N 0 0 350.418 4.443 50 30 FIEARN COc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc(OC)c1OC ZINC000096925163 222140341 /nfs/dbraw/zinc/14/03/41/222140341.db2.gz XADHFLPYZRFJET-GHXNOFRVSA-N 0 0 360.406 4.224 50 30 FIEARN Cc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1C ZINC000097474840 222183779 /nfs/dbraw/zinc/18/37/79/222183779.db2.gz QOTOXDBDLNFRTF-ALCCZGGFSA-N 0 0 359.219 4.028 50 30 FIEARN Cc1ccc(N2C(=O)CS/C2=N/C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100136985 222235838 /nfs/dbraw/zinc/23/58/38/222235838.db2.gz LASZMTHXVQLTOQ-LVZFUZTISA-N 0 0 359.838 4.316 50 30 FIEARN Cc1ccc(CN2c3ccccc3C(=NNc3cccc(F)c3)C2=O)cc1 ZINC000100327126 222241612 /nfs/dbraw/zinc/24/16/12/222241612.db2.gz PFPTWAKFKKFZPH-NJNXFGOHSA-N 0 0 359.404 4.497 50 30 FIEARN O=S(=O)(Oc1ccc(/N=C/c2cccs2)cc1)c1ccc(F)cc1 ZINC000100413203 222242717 /nfs/dbraw/zinc/24/27/17/222242717.db2.gz BFCWKJLIFBXCAR-XDHOZWIPSA-N 0 0 361.419 4.406 50 30 FIEARN Cc1ccc([S@@](=O)(=NC(C)(C)C#N)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100703284 222250407 /nfs/dbraw/zinc/25/04/07/222250407.db2.gz WKJANNHKONLOTN-VWLOTQADSA-N 0 0 359.407 4.026 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000103087467 222320385 /nfs/dbraw/zinc/32/03/85/222320385.db2.gz MWGYEMCJWVSLBF-SELCWUDQSA-N 0 0 353.393 4.048 50 30 FIEARN C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccccc2)sc1N ZINC000000642560 263141364 /nfs/dbraw/zinc/14/13/64/263141364.db2.gz ZHVRLSHWWLMJIC-UHFFFAOYSA-N 0 0 370.503 4.123 50 30 FIEARN C=CCn1c(C)cc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)c1C ZINC000002651970 263326622 /nfs/dbraw/zinc/32/66/22/263326622.db2.gz GANGBYLNKNYSOD-UHFFFAOYSA-N 0 0 352.463 4.051 50 30 FIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000003454979 263329516 /nfs/dbraw/zinc/32/95/16/263329516.db2.gz WHOHXLUUTYLOLV-UHFFFAOYSA-N 0 0 353.422 4.245 50 30 FIEARN N#Cc1sc(C/C=N\OCc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000005253031 263339732 /nfs/dbraw/zinc/33/97/32/263339732.db2.gz ZMLVVJUCMXRMOV-IOXNKQMXSA-N 0 0 359.760 4.432 50 30 FIEARN COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC#N)cc1OC ZINC000005607549 263342632 /nfs/dbraw/zinc/34/26/32/263342632.db2.gz SUDMEYYTXYRCTF-UHFFFAOYSA-N 0 0 371.776 4.033 50 30 FIEARN C=CCN(C(=O)CCOc1ccc(C)cc1)c1nc2c(s1)CCCC2 ZINC000006553551 263346063 /nfs/dbraw/zinc/34/60/63/263346063.db2.gz AOLFOGNBNDKFJD-UHFFFAOYSA-N 0 0 356.491 4.318 50 30 FIEARN CC(=O)NCc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)s1 ZINC000009053748 263358210 /nfs/dbraw/zinc/35/82/10/263358210.db2.gz FPIUOCQYHASQPA-SOFGYWHQSA-N 0 0 353.365 4.299 50 30 FIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCCC ZINC000012391429 263370513 /nfs/dbraw/zinc/37/05/13/263370513.db2.gz PJCWAEHUFVKNFA-UHFFFAOYSA-N 0 0 374.506 4.252 50 30 FIEARN N#Cc1ccccc1-c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 ZINC000023487392 263387279 /nfs/dbraw/zinc/38/72/79/263387279.db2.gz JSYGHKZTOOPALZ-UHFFFAOYSA-N 0 0 359.410 4.152 50 30 FIEARN CC(=CC(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 ZINC000101082747 518431190 /nfs/dbraw/zinc/43/11/90/518431190.db2.gz OVQZQYQEMFSWAC-XYOKQWHBSA-N 0 0 374.234 4.054 50 30 FIEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000101087895 518432311 /nfs/dbraw/zinc/43/23/11/518432311.db2.gz UOLFMAZZLSIHFB-CCEZHUSRSA-N 0 0 356.853 4.375 50 30 FIEARN C/C(Cn1c2ccccc2oc1=O)=N\OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013469550 518476221 /nfs/dbraw/zinc/47/62/21/518476221.db2.gz LPQDEGPYIUIXNM-HYARGMPZSA-N 0 0 366.417 4.125 50 30 FIEARN C=C(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000002721559 518639031 /nfs/dbraw/zinc/63/90/31/518639031.db2.gz HVOJHXKZNWPWMR-UHFFFAOYSA-N 0 0 351.425 4.114 50 30 FIEARN C=C(C)Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 ZINC000016788634 518640778 /nfs/dbraw/zinc/64/07/78/518640778.db2.gz GWQCTYCBIUQPMH-UHFFFAOYSA-N 0 0 362.462 4.085 50 30 FIEARN C=CCN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000004385968 518871896 /nfs/dbraw/zinc/87/18/96/518871896.db2.gz FVLDJDMKLJJCMG-UFUQCMIWSA-N 0 0 357.457 4.252 50 30 FIEARN C=CCSc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 ZINC000016742313 519087173 /nfs/dbraw/zinc/08/71/73/519087173.db2.gz STCIIOXATXAKPE-UHFFFAOYSA-N 0 0 359.476 4.360 50 30 FIEARN C=CCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC ZINC000014397391 519128665 /nfs/dbraw/zinc/12/86/65/519128665.db2.gz YFPGTKUMDQWKJX-UHFFFAOYSA-N 0 0 370.880 4.040 50 30 FIEARN C=CCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1cccnc1 ZINC000014023576 519231520 /nfs/dbraw/zinc/23/15/20/519231520.db2.gz OTNMTYTUHPZAJR-UHFFFAOYSA-N 0 0 364.474 4.118 50 30 FIEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(F)cc1 ZINC000004346160 519242090 /nfs/dbraw/zinc/24/20/90/519242090.db2.gz POKZDHSZLZHFPC-UHFFFAOYSA-N 0 0 350.422 4.434 50 30 FIEARN CC(C)[C@H]1CC[C@@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N ZINC000245325133 519825689 /nfs/dbraw/zinc/82/56/89/519825689.db2.gz CNUAJBSOIJZAHJ-HGHGUNKESA-N 0 0 369.472 4.354 50 30 FIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc21 ZINC000010943519 519829167 /nfs/dbraw/zinc/82/91/67/519829167.db2.gz GWVMNVRXYYBIHX-RBZFPXEDSA-N 0 0 368.506 4.042 50 30 FIEARN CC(C)c1nc(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)cs1 ZINC000299791493 519860967 /nfs/dbraw/zinc/86/09/67/519860967.db2.gz GOGCMXXEYNWBEV-UHFFFAOYSA-N 0 0 368.502 4.132 50 30 FIEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1 ZINC000078740407 520009786 /nfs/dbraw/zinc/00/97/86/520009786.db2.gz OGRYMSNEVYPQJE-UHFFFAOYSA-N 0 0 370.559 4.477 50 30 FIEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC ZINC000008407975 520059528 /nfs/dbraw/zinc/05/95/28/520059528.db2.gz YGQXPWIPQVPTSY-IBGZPJMESA-N 0 0 374.481 4.227 50 30 FIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C/c1cccc(OC)c1)C2=O ZINC000075327290 520516924 /nfs/dbraw/zinc/51/69/24/520516924.db2.gz FUHQLVLAWVJSEV-XDHOZWIPSA-N 0 0 367.401 4.152 50 30 FIEARN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000096767092 520593951 /nfs/dbraw/zinc/59/39/51/520593951.db2.gz ZJKIXZXFSJOCSW-XQRVVYSFSA-N 0 0 374.820 4.415 50 30 FIEARN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(Cl)c1OC ZINC000046706652 522174451 /nfs/dbraw/zinc/17/44/51/522174451.db2.gz YQOXBPGBRGIELF-NSHDSACASA-N 0 0 372.833 4.457 50 30 FIEARN COc1ccc(/C(CCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 ZINC000004844172 523367592 /nfs/dbraw/zinc/36/75/92/523367592.db2.gz LASVMYHKUXVWCB-FLFKKZLDSA-N 0 0 356.422 4.321 50 30 FIEARN COc1ccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OC(F)F ZINC000096766888 523434816 /nfs/dbraw/zinc/43/48/16/523434816.db2.gz GWVUNGBPANQDCL-VURMDHGXSA-N 0 0 361.344 4.151 50 30 FIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC#N)cc1 ZINC000013137390 523488682 /nfs/dbraw/zinc/48/86/82/523488682.db2.gz ZSYBELIMHTUZJL-XBXARRHUSA-N 0 0 372.218 4.256 50 30 FIEARN COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000007744494 523539469 /nfs/dbraw/zinc/53/94/69/523539469.db2.gz NKJOMLLBLABWES-VAWYXSNFSA-N 0 0 362.429 4.402 50 30 FIEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c3cccc(O)c23)cc1OC ZINC000004027262 523542628 /nfs/dbraw/zinc/54/26/28/523542628.db2.gz LISOUMITXJIWNK-JXMROGBWSA-N 0 0 364.397 4.467 50 30 biogenic FIEARN COc1ccccc1-c1nnc(SCCC#N)n1CCc1ccccc1 ZINC000006790388 524292187 /nfs/dbraw/zinc/29/21/87/524292187.db2.gz QEEPJIQRNSONMY-UHFFFAOYSA-N 0 0 364.474 4.202 50 30 FIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3cccs3)n2C)cc1 ZINC000008428817 524652357 /nfs/dbraw/zinc/65/23/57/524652357.db2.gz AQNXTPUBNHVWGX-INIZCTEOSA-N 0 0 354.504 4.003 50 30 FIEARN CS(=O)(=O)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000004118309 525230405 /nfs/dbraw/zinc/23/04/05/525230405.db2.gz TWRUMAROCHYCQN-WEVVVXLNSA-N 0 0 371.241 4.228 50 30 FIEARN Cc1ccsc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O ZINC000002401755 525816234 /nfs/dbraw/zinc/81/62/34/525816234.db2.gz JQXTYKRYYKILHA-SXGWCWSVSA-N 0 0 358.415 4.003 50 30 FIEARN Cc1ccc(C=NN2C(=S)N=NC2c2cccc(OC(C)C)c2)s1 ZINC000006199629 525966650 /nfs/dbraw/zinc/96/66/50/525966650.db2.gz IAZCIZBXJIKCHP-VCHYOVAHSA-N 0 0 358.492 4.273 50 30 FIEARN CSc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000243914717 525983336 /nfs/dbraw/zinc/98/33/36/525983336.db2.gz BJXHKJWEHKPVJK-UHFFFAOYSA-N 0 0 353.535 4.177 50 30 FIEARN COc1cccc(OC)c1/C=C/C(=O)/C=C/c1c(OC)cccc1OC ZINC000002549246 526214559 /nfs/dbraw/zinc/21/45/59/526214559.db2.gz RWGSYJMFOMFSPX-PHEQNACWSA-N 0 0 354.402 4.017 50 30 FIEARN Fc1cccc(Cl)c1C=NN1CCN(c2ccc(Cl)cc2)CC1 ZINC000238881928 526390423 /nfs/dbraw/zinc/39/04/23/526390423.db2.gz BLRKUAJJYQRREJ-UHFFFAOYSA-N 0 0 352.240 4.289 50 30 FIEARN NC(=NOC/C=C/c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000060197507 526805078 /nfs/dbraw/zinc/80/50/78/526805078.db2.gz YKEPBUWZBMCVMX-QPJJXVBHSA-N 0 0 363.392 4.363 50 30 FIEARN O=C(/C=C/c1ccccc1Br)c1cccc(N2CCCC2=O)c1 ZINC000007350170 527634164 /nfs/dbraw/zinc/63/41/64/527634164.db2.gz LTMZFHNQRZDREG-ZHACJKMWSA-N 0 0 370.246 4.472 50 30 FIEARN Cc1sc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C ZINC000024692046 567969936 /nfs/dbraw/zinc/96/99/36/567969936.db2.gz DATBVRPXXHHNKS-UHFFFAOYSA-N 0 0 360.307 4.113 50 30 FIEARN O=c1[nH][nH]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347368 568282445 /nfs/dbraw/zinc/28/24/45/568282445.db2.gz HDKQVSBDSQVZCD-SFHVURJKSA-N 0 0 373.412 4.472 50 30 FIEARN O=C(NC(=S)Nc1ccccc1C#Cc1ccccc1)c1ccccc1 ZINC000002899436 568357258 /nfs/dbraw/zinc/35/72/58/568357258.db2.gz FYXVHNVYWGUCRF-UHFFFAOYSA-N 0 0 356.450 4.213 50 30 FIEARN C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002856495 568399076 /nfs/dbraw/zinc/39/90/76/568399076.db2.gz VQORWHPVJFJWPT-ATVHPVEESA-N 0 0 370.861 4.167 50 30 FIEARN O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C/c1cccc([N+](=O)[O-])c1 ZINC000001042742 570475832 /nfs/dbraw/zinc/47/58/32/570475832.db2.gz HXMDGGVMHKWCLO-DJKKODMXSA-N 0 0 353.256 4.196 50 30 FIEARN COc1ccc(C2CC(=O)C(=CNc3ccccc3C)C(=O)C2)cc1OC ZINC000001218568 570494375 /nfs/dbraw/zinc/49/43/75/570494375.db2.gz GMGBXJKXKREZDL-UHFFFAOYSA-N 0 0 365.429 4.024 50 30 FIEARN COc1ccc(-c2n[n-]c(=S)n2N=Cc2c(F)cccc2Cl)cc1 ZINC000001473636 570500995 /nfs/dbraw/zinc/50/09/95/570500995.db2.gz NAHGDZXZBNSQEI-DJKKODMXSA-N 0 0 362.817 4.291 50 30 FIEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(C)c1 ZINC000004828314 570512581 /nfs/dbraw/zinc/51/25/81/570512581.db2.gz LTWJFZUHCPCPQF-UHFFFAOYSA-N 0 0 360.207 4.247 50 30 FIEARN CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2Cl)c1C#N ZINC000014136702 570517181 /nfs/dbraw/zinc/51/71/81/570517181.db2.gz UEPCJADQAVPNIF-UHFFFAOYSA-N 0 0 357.866 4.136 50 30 FIEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000002352579 570519761 /nfs/dbraw/zinc/51/97/61/570519761.db2.gz ZYJXRYCSFXRJCR-VCHYOVAHSA-N 0 0 360.895 4.491 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccsc1 ZINC000002526852 570524191 /nfs/dbraw/zinc/52/41/91/570524191.db2.gz XVYHFTUSYDJUNR-QFBILLFUSA-N 0 0 356.443 4.076 50 30 FIEARN O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccc2c(c1)OCO2 ZINC000002532679 570524198 /nfs/dbraw/zinc/52/41/98/570524198.db2.gz QMLMHWBUSCOISX-CNHKJKLMSA-N 0 0 353.161 4.305 50 30 FIEARN COc1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000002597750 570526097 /nfs/dbraw/zinc/52/60/97/570526097.db2.gz ZWRBCWLLLNHLSS-GIJQJNRQSA-N 0 0 354.262 4.323 50 30 FIEARN CCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000100182191 570538713 /nfs/dbraw/zinc/53/87/13/570538713.db2.gz ZHWNDLKNIVYXEE-BKUYFWCQSA-N 0 0 362.458 4.271 50 30 FIEARN CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004935682 570562552 /nfs/dbraw/zinc/56/25/52/570562552.db2.gz XBKHCMRDLYHWMG-MHCYFFLUSA-N 0 0 355.463 4.304 50 30 FIEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000005002482 570574117 /nfs/dbraw/zinc/57/41/17/570574117.db2.gz CGGPYFQTNWFXSU-NTEUORMPSA-N 0 0 359.794 4.140 50 30 FIEARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004168895 570580022 /nfs/dbraw/zinc/58/00/22/570580022.db2.gz KXSJJYPCAKAUSV-OAHLLOKOSA-N 0 0 374.897 4.312 50 30 FIEARN COc1cccc(/C=C/C(=O)c2ccc(I)cc2)c1 ZINC000004185335 570580256 /nfs/dbraw/zinc/58/02/56/570580256.db2.gz PKRSIYJATIXDMB-BJMVGYQFSA-N 0 0 364.182 4.196 50 30 FIEARN CCc1nnc(NC(=O)c2ccccc2Sc2ccccc2C#N)s1 ZINC000005065735 570580719 /nfs/dbraw/zinc/58/07/19/570580719.db2.gz WRNMDHGJLZQVMC-UHFFFAOYSA-N 0 0 366.471 4.376 50 30 FIEARN CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N/c1ccccc1 ZINC000004664334 570599258 /nfs/dbraw/zinc/59/92/58/570599258.db2.gz VCIUISCFXZRITH-DRJFBDSASA-N 0 0 366.442 4.348 50 30 FIEARN CC(=NOCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 ZINC000252617961 570624201 /nfs/dbraw/zinc/62/42/01/570624201.db2.gz LCMHFTXIMNPZRO-UHFFFAOYSA-N 0 0 367.474 4.186 50 30 FIEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000005561281 570630710 /nfs/dbraw/zinc/63/07/10/570630710.db2.gz JVZAVILNYDAJAV-DHZHZOJOSA-N 0 0 360.207 4.376 50 30 FIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000006084568 570641456 /nfs/dbraw/zinc/64/14/56/570641456.db2.gz LTCBQXZXRCXAIF-ZVBGSRNCSA-N 0 0 366.343 4.274 50 30 FIEARN CCSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000006677845 570651477 /nfs/dbraw/zinc/65/14/77/570651477.db2.gz RGKPTRBVPGQYLS-KRWDZBQOSA-N 0 0 368.506 4.357 50 30 FIEARN O=C1C[C@H](c2cccc(F)c2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006820329 570655365 /nfs/dbraw/zinc/65/53/65/570655365.db2.gz NBWFLVIKSKSADJ-IUODEOHRSA-N 0 0 371.358 4.108 50 30 FIEARN CCOc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000005172606 570677224 /nfs/dbraw/zinc/67/72/24/570677224.db2.gz PLBHCMJTOQHUAR-UHFFFAOYSA-N 0 0 355.463 4.008 50 30 FIEARN CCCCCCCCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC ZINC000008432258 570682082 /nfs/dbraw/zinc/68/20/82/570682082.db2.gz HSEZJKIMCRICMN-UHFFFAOYSA-N 0 0 368.499 4.021 50 30 FIEARN Cc1ccc(C(=O)O/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000012954476 570768591 /nfs/dbraw/zinc/76/85/91/570768591.db2.gz PHEIYWQHQKDHRK-STZFKDTASA-N 0 0 367.405 4.084 50 30 FIEARN N#Cc1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000006401987 570797001 /nfs/dbraw/zinc/79/70/01/570797001.db2.gz FRFTUUNJUPIVDV-UHFFFAOYSA-N 0 0 370.452 4.209 50 30 FIEARN C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 ZINC000004493698 570800287 /nfs/dbraw/zinc/80/02/87/570800287.db2.gz LCMHFTXIMNPZRO-OEAKJJBVSA-N 0 0 367.474 4.186 50 30 FIEARN CCc1c(C)sc(NC(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)c1C#N ZINC000004504959 570803571 /nfs/dbraw/zinc/80/35/71/570803571.db2.gz ZDWBWSKMOJTVKV-INIZCTEOSA-N 0 0 373.865 4.276 50 30 FIEARN COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(C#N)c3)ccc2c1 ZINC000032796577 570803723 /nfs/dbraw/zinc/80/37/23/570803723.db2.gz MQXGLOXVFOXSTN-MRXNPFEDSA-N 0 0 358.441 4.482 50 30 FIEARN C#CC[C@H](CC(F)(F)F)NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000583650966 570812033 /nfs/dbraw/zinc/81/20/33/570812033.db2.gz CDRRDSZYAIRDTB-SNVBAGLBSA-N 0 0 355.303 4.373 50 30 FIEARN COC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000004537752 570819626 /nfs/dbraw/zinc/81/96/26/570819626.db2.gz QGRLNCPQLIUOMP-UHFFFAOYSA-N 0 0 369.229 4.274 50 30 FIEARN Cc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000004566234 570836340 /nfs/dbraw/zinc/83/63/40/570836340.db2.gz BCFABEYGNAQAEK-FQEVSTJZSA-N 0 0 371.392 4.222 50 30 FIEARN COc1ccc(C(=O)C(=CNc2ccccc2F)C(=O)C(F)(F)F)cc1 ZINC000103462617 570850600 /nfs/dbraw/zinc/85/06/00/570850600.db2.gz LRICDUGTMWZVKE-JLHYYAGUSA-N 0 0 367.298 4.144 50 30 FIEARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC#N)cc43)oc21 ZINC000004586247 570853828 /nfs/dbraw/zinc/85/38/28/570853828.db2.gz YNLFYXMNWQYECT-UHFFFAOYSA-N 0 0 361.353 4.426 50 30 FIEARN O=C(C=C1N[C@@H]2CCCC[C@@H]2NC1=CC(=O)c1ccccc1)c1ccccc1 ZINC000109542781 570922989 /nfs/dbraw/zinc/92/29/89/570922989.db2.gz RRRCNKSFZNYVIJ-GGFKQOJCSA-N 0 0 372.468 4.024 50 30 FIEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)ccc2C)cc1 ZINC000046125700 570926655 /nfs/dbraw/zinc/92/66/55/570926655.db2.gz VDODWXMLTBTHKI-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130273 570928092 /nfs/dbraw/zinc/92/80/92/570928092.db2.gz XSETWEVSXLBPHQ-SFHVURJKSA-N 0 0 371.868 4.025 50 30 FIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000046132878 570929428 /nfs/dbraw/zinc/92/94/28/570929428.db2.gz PMEJNUJQEGQIEA-KRWDZBQOSA-N 0 0 371.868 4.025 50 30 FIEARN CCCOc1c(/C=C/C(=O)c2ccc3c(c2)OCO3)cccc1OCC ZINC000005129226 570967634 /nfs/dbraw/zinc/96/76/34/570967634.db2.gz HVNYDLVUOCSYNV-CSKARUKUSA-N 0 0 354.402 4.499 50 30 FIEARN O=C1[C@@H]2C3=C(CCCC3)S[C@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 ZINC000025666910 570998770 /nfs/dbraw/zinc/99/87/70/570998770.db2.gz GAQNJNHVLDQEGY-IAOVAPTHSA-N 0 0 372.515 4.038 50 30 FIEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1 ZINC000008324490 571040260 /nfs/dbraw/zinc/04/02/60/571040260.db2.gz QKSVEOMAQVIEDZ-ZDUSSCGKSA-N 0 0 373.547 4.409 50 30 FIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2ccccn2)c1C#N ZINC000008710412 571056657 /nfs/dbraw/zinc/05/66/57/571056657.db2.gz DVDZXABUOUELNA-UHFFFAOYSA-N 0 0 354.479 4.218 50 30 FIEARN N#Cc1ccc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc1 ZINC000040050784 571070146 /nfs/dbraw/zinc/07/01/46/571070146.db2.gz RQQWAOODRBNYHJ-KRWDZBQOSA-N 0 0 362.458 4.147 50 30 FIEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000022339496 571071402 /nfs/dbraw/zinc/07/14/02/571071402.db2.gz UOMMIYDQPWPBRB-NHCUHLMSSA-N 0 0 372.553 4.365 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2cnc(C)cn2)c(C)n1 ZINC000065374582 571073745 /nfs/dbraw/zinc/07/37/45/571073745.db2.gz HWYLLMNZKWXKMF-UHFFFAOYSA-N 0 0 370.460 4.055 50 30 FIEARN Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000001430119 571075115 /nfs/dbraw/zinc/07/51/15/571075115.db2.gz HZHVIKCXPYCTJH-UXHICEINSA-N 0 0 374.484 4.188 50 30 FIEARN N#Cc1cccnc1Oc1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000040106957 571077767 /nfs/dbraw/zinc/07/77/67/571077767.db2.gz KGMBKFORHOPNFU-UHFFFAOYSA-N 0 0 351.312 4.276 50 30 FIEARN Cc1cc(C)c(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccco2)C3)c(C)c1 ZINC000032985482 571083262 /nfs/dbraw/zinc/08/32/62/571083262.db2.gz DZENRJMYROPGBO-MRXNPFEDSA-N 0 0 372.424 4.140 50 30 FIEARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(C#N)cc3)s2)cs1 ZINC000012396633 571085088 /nfs/dbraw/zinc/08/50/88/571085088.db2.gz AOWUAIQDTXTFFU-UHFFFAOYSA-N 0 0 353.472 4.024 50 30 FIEARN N#Cc1cccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)c1 ZINC000040157637 571088259 /nfs/dbraw/zinc/08/82/59/571088259.db2.gz VUIWRNZYTDBHNU-UHFFFAOYSA-N 0 0 356.429 4.230 50 30 FIEARN COCCn1c2ccccc2nc1SCc1cn2ccccc2c1C#N ZINC000024989012 571093208 /nfs/dbraw/zinc/09/32/08/571093208.db2.gz CENIWDGWDIPYCN-UHFFFAOYSA-N 0 0 362.458 4.099 50 30 FIEARN Cc1ccc(C)c(NC(=S)NN=Cc2ccc(Br)cc2)c1 ZINC000245284677 571096399 /nfs/dbraw/zinc/09/63/99/571096399.db2.gz TWXMMLUQBNSVRE-UHFFFAOYSA-N 0 0 362.296 4.386 50 30 FIEARN Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1F ZINC000245283947 571096308 /nfs/dbraw/zinc/09/63/08/571096308.db2.gz PDKWDFSAZSCJQE-UHFFFAOYSA-N 0 0 364.808 4.384 50 30 FIEARN CCc1cccc2c(C(=O)C(=O)Nc3sc(C)c(C)c3C#N)c[nH]c21 ZINC000009227461 571101534 /nfs/dbraw/zinc/10/15/34/571101534.db2.gz GLAUWWGDPKASCR-UHFFFAOYSA-N 0 0 351.431 4.102 50 30 FIEARN C=CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000004094893 571102184 /nfs/dbraw/zinc/10/21/84/571102184.db2.gz KVBDZFJFAJJYFK-CSKARUKUSA-N 0 0 364.426 4.397 50 30 FIEARN COc1cc(/C=C(/C(=O)C(F)(F)F)c2ncccc2C)cc(OC)c1 ZINC000072312331 571106514 /nfs/dbraw/zinc/10/65/14/571106514.db2.gz NDXJVOGRYVOLDQ-OQLLNIDSSA-N 0 0 351.324 4.079 50 30 FIEARN O=C(/C=C/c1c(F)cccc1F)Nc1cccc(C#Cc2ccccn2)c1 ZINC000070038876 571108088 /nfs/dbraw/zinc/10/80/88/571108088.db2.gz UBIGTFNGEPXZOD-OUKQBFOZSA-N 0 0 360.363 4.412 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)CN(Cc1ccncc1)CO3 ZINC000009422600 571108625 /nfs/dbraw/zinc/10/86/25/571108625.db2.gz XZRGQNDMJKKARN-MTJSOVHGSA-N 0 0 370.408 4.050 50 30 FIEARN Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O ZINC000013653932 571109806 /nfs/dbraw/zinc/10/98/06/571109806.db2.gz DOSPPDQWKYLRGV-ODLFYWEKSA-N 0 0 366.413 4.332 50 30 FIEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cc2ccccc2o1 ZINC000009576593 571113864 /nfs/dbraw/zinc/11/38/64/571113864.db2.gz ZULMPQMAVSEZST-NDENLUEZSA-N 0 0 361.397 4.350 50 30 biogenic FIEARN C=CCn1c(CN(C)Cc2ccsc2)nnc1SCC(=C)Cl ZINC000011788091 571116839 /nfs/dbraw/zinc/11/68/39/571116839.db2.gz UCFUUOQESRHBIM-UHFFFAOYSA-N 0 0 354.932 4.002 50 30 FIEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000011816049 571116900 /nfs/dbraw/zinc/11/69/00/571116900.db2.gz VZNMZPJGXVZBLH-ZIAGYGMSSA-N 0 0 374.387 4.267 50 30 FIEARN N#Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1Cl ZINC000009951885 571121508 /nfs/dbraw/zinc/12/15/08/571121508.db2.gz YYUDFXKLARZUEU-UHFFFAOYSA-N 0 0 366.808 4.223 50 30 FIEARN C#CCn1c2ccc(C)cc2s/c1=N/C(=O)Nc1cccc(Cl)c1 ZINC000000625617 571122776 /nfs/dbraw/zinc/12/27/76/571122776.db2.gz SICRIMJXBAJJAQ-DYTRJAOYSA-N 0 0 355.850 4.431 50 30 FIEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000002179210 571124521 /nfs/dbraw/zinc/12/45/21/571124521.db2.gz WZNHJLQFTZURNJ-UHFFFAOYSA-N 0 0 374.893 4.128 50 30 FIEARN COc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000071785023 571125274 /nfs/dbraw/zinc/12/52/74/571125274.db2.gz XYADMOKYTDPSAC-DHZHZOJOSA-N 0 0 372.380 4.088 50 30 FIEARN O=C1c2ccc(O)cc2CC/C1=C\c1cnn(-c2ccc(Cl)cc2)c1 ZINC000058411370 571132534 /nfs/dbraw/zinc/13/25/34/571132534.db2.gz HIIOGWQHNFZZMJ-OQLLNIDSSA-N 0 0 350.805 4.444 50 30 FIEARN Cc1cc(C)n(Cc2cccc(C(N)=NOCc3ccccc3Cl)c2)n1 ZINC000058419410 571132949 /nfs/dbraw/zinc/13/29/49/571132949.db2.gz XQVCVKARDNXPGA-UHFFFAOYSA-N 0 0 368.868 4.039 50 30 FIEARN COc1cccc(N=C2NC(=O)SC2=Cc2cccc3nccnc23)c1 ZINC000072400417 571134840 /nfs/dbraw/zinc/13/48/40/571134840.db2.gz OABFNFSQYKLSLA-YBEGLDIGSA-N 0 0 362.414 4.370 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000004660993 571155444 /nfs/dbraw/zinc/15/54/44/571155444.db2.gz CKEPLAWHDARRHO-XNTDXEJSSA-N 0 0 372.427 4.242 50 30 FIEARN N#Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000026456395 571163228 /nfs/dbraw/zinc/16/32/28/571163228.db2.gz NIWAXLMJOXYTAE-SFHVURJKSA-N 0 0 374.271 4.468 50 30 FIEARN C=CCn1c(C)cc(C2=NNC(=Nc3ccccc3OC)SC2)c1C ZINC000005862094 571167154 /nfs/dbraw/zinc/16/71/54/571167154.db2.gz FSMCIWDSQUCUSQ-UHFFFAOYSA-N 0 0 354.479 4.219 50 30 FIEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)c1C ZINC000012462889 571172452 /nfs/dbraw/zinc/17/24/52/571172452.db2.gz GYZHJPFDPVEYIE-SFQUDFHCSA-N 0 0 367.474 4.388 50 30 FIEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nccs1 ZINC000044085723 571182156 /nfs/dbraw/zinc/18/21/56/571182156.db2.gz PLFBPZVJPCNSJZ-UHFFFAOYSA-N 0 0 370.503 4.232 50 30 FIEARN COc1ccc(C#N)cc1CSc1nnc(-c2ccco2)n1CC(C)C ZINC000152510688 571201566 /nfs/dbraw/zinc/20/15/66/571201566.db2.gz QKJLHJUBUJWFHX-UHFFFAOYSA-N 0 0 368.462 4.367 50 30 FIEARN N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1Br ZINC000002654348 571202186 /nfs/dbraw/zinc/20/21/86/571202186.db2.gz FQCJVMHUPQFFHV-UHFFFAOYSA-N 0 0 371.643 4.053 50 30 FIEARN CCCCCCCCS(=O)(=O)N/N=C/c1c(O)ccc2ccccc21 ZINC000097960684 571204073 /nfs/dbraw/zinc/20/40/73/571204073.db2.gz QJWRYARVCQGCQC-HMMYKYKNSA-N 0 0 362.495 4.159 50 30 FIEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 ZINC000006545041 571209027 /nfs/dbraw/zinc/20/90/27/571209027.db2.gz KNRQTWSYUZLHMM-DHDCSXOGSA-N 0 0 362.813 4.379 50 30 FIEARN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 ZINC000006604720 571213178 /nfs/dbraw/zinc/21/31/78/571213178.db2.gz ZFFCZHRXVWFILX-HXUWFJFHSA-N 0 0 367.405 4.437 50 30 FIEARN CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000023153765 571218917 /nfs/dbraw/zinc/21/89/17/571218917.db2.gz RCOFVWXRJOYQQT-UHFFFAOYSA-N 0 0 353.491 4.163 50 30 FIEARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(C#N)cc1F ZINC000004748657 571231285 /nfs/dbraw/zinc/23/12/85/571231285.db2.gz SOBGIIJDMJEHFT-UHFFFAOYSA-N 0 0 372.359 4.461 50 30 FIEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C\[N+](=O)[O-] ZINC000033337514 571235920 /nfs/dbraw/zinc/23/59/20/571235920.db2.gz JXIUQTFEPIJJOB-FPLPWBNLSA-N 0 0 359.179 4.147 50 30 FIEARN N#Cc1cnn2c(NC3CCCC3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000006768575 571245647 /nfs/dbraw/zinc/24/56/47/571245647.db2.gz QBHYVWSUMXTMRD-UHFFFAOYSA-N 0 0 370.254 4.318 50 30 FIEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)c1 ZINC000036352888 571249391 /nfs/dbraw/zinc/24/93/91/571249391.db2.gz KEVOWMOCYLNYNB-INIZCTEOSA-N 0 0 361.376 4.147 50 30 FIEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2)c1 ZINC000036358913 571249798 /nfs/dbraw/zinc/24/97/98/571249798.db2.gz HHIRDCZCEZXCPA-LJQANCHMSA-N 0 0 373.412 4.017 50 30 FIEARN N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)o2)c1 ZINC000036882709 571263760 /nfs/dbraw/zinc/26/37/60/571263760.db2.gz ZQXNBNXKZLAXQJ-UHFFFAOYSA-N 0 0 357.822 4.466 50 30 FIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSC[C@H](O)c1ccccc1 ZINC000065489697 571263965 /nfs/dbraw/zinc/26/39/65/571263965.db2.gz DIVCPJBAABHJNV-GAASDFDMSA-N 0 0 367.514 4.334 50 30 FIEARN N#CCCn1cc(CN2CCc3c2cc(F)cc3F)c(-c2ccccc2)n1 ZINC000170599888 571266735 /nfs/dbraw/zinc/26/67/35/571266735.db2.gz NJMBSZDJNCWBPG-UHFFFAOYSA-N 0 0 364.399 4.305 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(OC)c1 ZINC000170615325 571268121 /nfs/dbraw/zinc/26/81/21/571268121.db2.gz KMGWWEBCUHEZAE-HKUYNNGSSA-N 0 0 356.443 4.076 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000170615259 571268244 /nfs/dbraw/zinc/26/82/44/571268244.db2.gz XPXUHHMUVNCJKW-IRLDBZIGSA-N 0 0 364.441 4.323 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(F)cc1 ZINC000170618309 571268542 /nfs/dbraw/zinc/26/85/42/571268542.db2.gz NIDNJSQKQDNMFY-RXVVDRJESA-N 0 0 368.404 4.154 50 30 FIEARN C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000170630444 571269567 /nfs/dbraw/zinc/26/95/67/571269567.db2.gz MMPBLXIKMXOCMF-YJYMSZOUSA-N 0 0 357.454 4.075 50 30 FIEARN C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2ccccc2s1 ZINC000014184432 571271831 /nfs/dbraw/zinc/27/18/31/571271831.db2.gz IXXRRWMUKSCEEL-UHFFFAOYSA-N 0 0 354.431 4.146 50 30 FIEARN Cc1ccc(-n2c(SCC#N)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000016841332 571273101 /nfs/dbraw/zinc/27/31/01/571273101.db2.gz UDOCXDMFSJJBAC-UHFFFAOYSA-N 0 0 372.453 4.305 50 30 FIEARN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000170634128 571275056 /nfs/dbraw/zinc/27/50/56/571275056.db2.gz CSEDDNZDNZFDDF-INIZCTEOSA-N 0 0 363.387 4.166 50 30 FIEARN COc1ccccc1C1N=NC(=S)N1N=CC(Cl)=Cc1ccccc1 ZINC000006166188 571276536 /nfs/dbraw/zinc/27/65/36/571276536.db2.gz GEGXSMYWFCSESX-BHFKYQIGSA-N 0 0 370.865 4.356 50 30 FIEARN CN(C)c1ccc(C=NC2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000252608851 571285050 /nfs/dbraw/zinc/28/50/50/571285050.db2.gz HOCGOCFHALUXPA-UHFFFAOYSA-N 0 0 360.383 4.414 50 30 FIEARN N#Cc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007898939 571292242 /nfs/dbraw/zinc/29/22/42/571292242.db2.gz HDASQVJKXWSPAJ-UHFFFAOYSA-N 0 0 366.804 4.167 50 30 FIEARN C=CCOC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc21 ZINC000002233265 571292595 /nfs/dbraw/zinc/29/25/95/571292595.db2.gz UKKOJZBZBMUQKQ-UHFFFAOYSA-N 0 0 372.428 4.116 50 30 FIEARN Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000002290372 571314699 /nfs/dbraw/zinc/31/46/99/571314699.db2.gz MCZONXUFVCAPTK-UHFFFAOYSA-N 0 0 368.477 4.129 50 30 FIEARN COc1ccc([C@@H](C)NC(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000584892730 571314854 /nfs/dbraw/zinc/31/48/54/571314854.db2.gz XMYJXTZICCTUPS-QGZVFWFLSA-N 0 0 363.461 4.023 50 30 FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)o1 ZINC000002352930 571318977 /nfs/dbraw/zinc/31/89/77/571318977.db2.gz BCANTTZSWSQVNF-LPXFMOJISA-N 0 0 353.418 4.284 50 30 biogenic FIEARN C=C(C)COc1cc2oc(=O)c(CCC(=O)OCC)c(C)c2cc1Cl ZINC000002393667 571321237 /nfs/dbraw/zinc/32/12/37/571321237.db2.gz IQGNFFWMAIROBJ-UHFFFAOYSA-N 0 0 364.825 4.205 50 30 FIEARN N#CC1(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ns2)CCC1 ZINC000161611788 571321425 /nfs/dbraw/zinc/32/14/25/571321425.db2.gz QKBFLCKIJCIGLF-UHFFFAOYSA-N 0 0 352.246 4.293 50 30 FIEARN CCNc1ccc(C(=O)OCC)cc1NC(=O)CCCc1nccs1 ZINC000328589776 571323471 /nfs/dbraw/zinc/32/34/71/571323471.db2.gz AXPZMRLUMRKJHO-UHFFFAOYSA-N 0 0 361.467 4.363 50 30 FIEARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)n1 ZINC000095462477 571330267 /nfs/dbraw/zinc/33/02/67/571330267.db2.gz MHURRLSNNXGYEB-UHFFFAOYSA-N 0 0 350.809 4.267 50 30 FIEARN CN(C)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000029135256 571342192 /nfs/dbraw/zinc/34/21/92/571342192.db2.gz JRZJCZHOJRDUFS-LFIBNONCSA-N 0 0 357.866 4.298 50 30 FIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(CC)cc2)cc1 ZINC000003051094 571344310 /nfs/dbraw/zinc/34/43/10/571344310.db2.gz NCHRFOCIXIEUCQ-RCCKNPSSSA-N 0 0 354.523 4.416 50 30 FIEARN Cc1c(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2c1CCC#N ZINC000003236232 571345894 /nfs/dbraw/zinc/34/58/94/571345894.db2.gz PUQZSZICVSDDOS-UHFFFAOYSA-N 0 0 367.792 4.497 50 30 FIEARN O=C(CON=C1c2ccccc2-c2ccccc21)N1CCc2ccccc21 ZINC000003344885 571347899 /nfs/dbraw/zinc/34/78/99/571347899.db2.gz IMCZGLDXOUWIJU-UHFFFAOYSA-N 0 0 354.409 4.025 50 30 FIEARN N#Cc1ccc(-c2ccc(OCC(=O)NCCCc3ccccc3)cc2)cc1 ZINC000003371789 571348608 /nfs/dbraw/zinc/34/86/08/571348608.db2.gz CILRRJYOOZWLDZ-UHFFFAOYSA-N 0 0 370.452 4.353 50 30 FIEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O ZINC000217910305 571351521 /nfs/dbraw/zinc/35/15/21/571351521.db2.gz CBIXLPYQLJTDRU-GFCCVEGCSA-N 0 0 370.788 4.356 50 30 biogenic FIEARN O/N=C(/NCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000004073411 571354761 /nfs/dbraw/zinc/35/47/61/571354761.db2.gz UHSRJHSVOYMATK-UHFFFAOYSA-N 0 0 364.154 4.333 50 30 FIEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 ZINC000004077628 571354843 /nfs/dbraw/zinc/35/48/43/571354843.db2.gz XDWZNLMNJRGKFF-UHFFFAOYSA-N 0 0 373.393 4.040 50 30 FIEARN C=CCn1c(S[C@@H](CCC)C(=O)OCC)nnc1-c1ccc(F)cc1 ZINC000004196788 571356824 /nfs/dbraw/zinc/35/68/24/571356824.db2.gz SBQLASZCZNKHMN-HNNXBMFYSA-N 0 0 363.458 4.094 50 30 FIEARN COc1ccccc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000032288384 571356944 /nfs/dbraw/zinc/35/69/44/571356944.db2.gz YLZOOOPSYONVRV-UHFFFAOYSA-N 0 0 372.424 4.327 50 30 FIEARN O=C1C=C(Cl)C2=CC(Cl)=C3C(=O)C=C(Cl)C4=CC(Cl)=C1[C@H]2[C@@H]43 ZINC000100323804 1080485457 /nfs/dbraw/zinc/48/54/57/1080485457.db2.gz NDPASDRPBXABLW-ZIAGYGMSSA-N 0 0 372.034 4.495 50 30 FIEARN C[C@@H]1CCc2sc(NC(=O)[C@H]3CCC(=O)c4cccn43)c(C#N)c2[C@@H]1C ZINC000333915804 1085193586 /nfs/dbraw/zinc/19/35/86/1085193586.db2.gz ZHSANKJETJMIRM-LALPHHSUSA-N 0 0 367.474 4.263 50 30 FIEARN Cc1cc(C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)cnn1 ZINC000329908179 1091132975 /nfs/dbraw/zinc/13/29/75/1091132975.db2.gz UGJBKMSMAYJPCS-UHFFFAOYSA-N 0 0 369.469 4.380 50 30 FIEARN COc1cc(CN=Nc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000254518690 1093737792 /nfs/dbraw/zinc/73/77/92/1093737792.db2.gz GUGSLWUIHNHBMU-UHFFFAOYSA-N 0 0 357.410 4.474 50 30 FIEARN CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@](C)(CC[C@@]2(C)[Si](C)(C)C)C1=O ZINC000169834270 1095875431 /nfs/dbraw/zinc/87/54/31/1095875431.db2.gz ZTBUBWAIEKAZJG-OTWHNJEPSA-N 0 0 354.563 4.260 50 30 FIEARN O=[N+]([O-])c1ccccc1C=CC=NN1CC(c2ccccc2)=NC1=S ZINC000254842695 1102316453 /nfs/dbraw/zinc/31/64/53/1102316453.db2.gz SMUZIDHJZRXEBT-VOKNQFCUSA-N 0 0 350.403 4.294 50 30 FIEARN Cc1ccccc1NC(=O)COc1ccc(C(=O)/C=C/c2cccnc2)cc1 ZINC000007586184 1107569029 /nfs/dbraw/zinc/56/90/29/1107569029.db2.gz DHXDBXGTHVXDOJ-MDWZMJQESA-N 0 0 372.424 4.304 50 30 FIEARN O=C(/C(Br)=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000033715008 1122938763 /nfs/dbraw/zinc/93/87/63/1122938763.db2.gz UAFJRYZPJJPJAC-NTEUORMPSA-N 0 0 350.143 4.353 50 30 FIEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000629088 219306314 /nfs/dbraw/zinc/30/63/14/219306314.db2.gz ORVQHQURHYOVKW-KRWDZBQOSA-N 0 0 353.219 4.469 50 30 FIEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1cccc(Br)c1 ZINC000000637509 219307479 /nfs/dbraw/zinc/30/74/79/219307479.db2.gz CTXXSALGPVWWTB-QGZVFWFLSA-N 0 0 353.219 4.469 50 30 FIEARN COc1ccc(C(=O)c2sc(Nc3ccccc3F)c(C#N)c2N)cc1 ZINC000000658875 219309848 /nfs/dbraw/zinc/30/98/48/219309848.db2.gz WSUYSVGQEUVYKO-UHFFFAOYSA-N 0 0 367.405 4.324 50 30 FIEARN COc1cc(/C=N/c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000000671625 219311308 /nfs/dbraw/zinc/31/13/08/219311308.db2.gz ZMZFEMOGVBGQDU-RQZCQDPDSA-N 0 0 365.183 4.125 50 30 FIEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C ZINC000000703371 219314381 /nfs/dbraw/zinc/31/43/81/219314381.db2.gz XUIOIAJBMNTJHK-GFCCVEGCSA-N 0 0 354.475 4.379 50 30 FIEARN CC(=O)Nc1ccc(/N=C/c2ccc(I)cc2)cc1 ZINC000000706827 219315090 /nfs/dbraw/zinc/31/50/90/219315090.db2.gz YJKRKYSHPHKYHR-LICLKQGHSA-N 0 0 364.186 4.000 50 30 FIEARN CN(C)c1ccc(-c2c(C#N)c(=S)[nH]c3c2C(=O)CC(C)(C)C3)cc1 ZINC000000755664 219319326 /nfs/dbraw/zinc/31/93/26/219319326.db2.gz LFVHLFVZWXEORI-UHFFFAOYSA-N 0 0 351.475 4.130 50 30 FIEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)cc1 ZINC000000860543 219332216 /nfs/dbraw/zinc/33/22/16/219332216.db2.gz KADGDCMLGCYBHU-UHFFFAOYSA-N 0 0 351.475 4.261 50 30 FIEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C)cc1 ZINC000000846453 219329510 /nfs/dbraw/zinc/32/95/10/219329510.db2.gz GYCHJUWVOHWZAV-QGZVFWFLSA-N 0 0 364.426 4.094 50 30 FIEARN N#Cc1nc(COc2ccccc2Cl)oc1NCCc1ccccc1 ZINC000000934597 219342314 /nfs/dbraw/zinc/34/23/14/219342314.db2.gz MNTXYLXZEBNKTI-UHFFFAOYSA-N 0 0 353.809 4.433 50 30 FIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000000998066 219351155 /nfs/dbraw/zinc/35/11/55/219351155.db2.gz RMUVQCCLIOTODQ-GFCCVEGCSA-N 0 0 370.474 4.404 50 30 FIEARN COc1ccc([C@H]2C3=C(c4ccccc4C3=O)N(C)C(C)=C2C(C)=O)cc1 ZINC000000988610 219350200 /nfs/dbraw/zinc/35/02/00/219350200.db2.gz IYQJFRSRVKEATM-HXUWFJFHSA-N 0 0 359.425 4.195 50 30 FIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000001051184 219359731 /nfs/dbraw/zinc/35/97/31/219359731.db2.gz LLPYIZRAOSGCMC-UHFFFAOYSA-N 0 0 353.325 4.481 50 30 FIEARN CCOc1ccccc1/C=N/c1ccc(I)cc1 ZINC000001087231 219367267 /nfs/dbraw/zinc/36/72/67/219367267.db2.gz JRGKXILVCMEGFY-GZTJUZNOSA-N 0 0 351.187 4.441 50 30 FIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000001092394 219368561 /nfs/dbraw/zinc/36/85/61/219368561.db2.gz KNKCPVVKTISCDP-UHFFFAOYSA-N 0 0 372.336 4.245 50 30 FIEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)CSc2ccc(Cl)cc2)n1 ZINC000001143882 219380679 /nfs/dbraw/zinc/38/06/79/219380679.db2.gz UIKKQYCFJYNHMV-AWEZNQCLSA-N 0 0 364.923 4.469 50 30 FIEARN O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 ZINC000001211390 219389609 /nfs/dbraw/zinc/38/96/09/219389609.db2.gz VFZRDMUFNQTSBQ-SJKOYZFVSA-N 0 0 371.443 4.296 50 30 FIEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccs2)C1=O ZINC000001412438 219404193 /nfs/dbraw/zinc/40/41/93/219404193.db2.gz HLEVFKKBOADRJR-LCYFTJDESA-N 0 0 361.419 4.041 50 30 FIEARN COc1ccc(NC(=O)CCSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000001428486 219404923 /nfs/dbraw/zinc/40/49/23/219404923.db2.gz PYNLJQWLERXJGI-UHFFFAOYSA-N 0 0 355.463 4.008 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 ZINC000002977966 219479288 /nfs/dbraw/zinc/47/92/88/219479288.db2.gz VQIWPWVKKIMQQX-QGZVFWFLSA-N 0 0 366.421 4.459 50 30 FIEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC#N ZINC000003668079 219524984 /nfs/dbraw/zinc/52/49/84/219524984.db2.gz UBGZZEGAJCZIBR-WSDLNYQXSA-N 0 0 351.431 4.160 50 30 FIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000004066175 219538067 /nfs/dbraw/zinc/53/80/67/219538067.db2.gz QSUHGKQRKSOQAI-FQEVSTJZSA-N 0 0 365.473 4.328 50 30 FIEARN CC(N=Nc1c(F)c(F)c(Br)c(F)c1F)c1ccncc1 ZINC000004550540 219585620 /nfs/dbraw/zinc/58/56/20/219585620.db2.gz XFLWODKPIYJCHF-CGOBSMCZSA-N 0 0 362.124 4.237 50 30 FIEARN CCc1ccccc1NC(=S)N/N=C1\CC(C)(C)Oc2ccc(O)cc21 ZINC000004669158 219593732 /nfs/dbraw/zinc/59/37/32/219593732.db2.gz YQJDNXUTZWMHFY-OQKWZONESA-N 0 0 369.490 4.206 50 30 FIEARN CC1=C(OC(C)C)[C@@]2(O[C@@H](C)C(c3ccccc3)(c3ccccc3)O2)C1=O ZINC000004649149 219591131 /nfs/dbraw/zinc/59/11/31/219591131.db2.gz VEJMFBKFPIFTRC-GAJHUEQPSA-N 0 0 364.441 4.344 50 30 FIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1Cl ZINC000005660666 219692520 /nfs/dbraw/zinc/69/25/20/219692520.db2.gz AGUFOTUHMOHJQS-UHFFFAOYSA-N 0 0 367.861 4.180 50 30 FIEARN Cc1cc(C(=O)C(=O)Nc2nncs2)c(C)n1-c1ccc(Cl)cc1 ZINC000006780939 219769244 /nfs/dbraw/zinc/76/92/44/219769244.db2.gz UDIOFZNKQVTYMP-UHFFFAOYSA-N 0 0 360.826 4.070 50 30 FIEARN COc1ccc(N(C)C(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1 ZINC000008682768 219865770 /nfs/dbraw/zinc/86/57/70/219865770.db2.gz BZIJYBSQJQJXPO-UHFFFAOYSA-N 0 0 352.463 4.309 50 30 FIEARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000009109543 219874656 /nfs/dbraw/zinc/87/46/56/219874656.db2.gz KMHZNNHFQPXVGB-HRAATJIYSA-N 0 0 374.444 4.410 50 30 FIEARN Cc1ccc([C@@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 ZINC000009012880 219873604 /nfs/dbraw/zinc/87/36/04/219873604.db2.gz LJXRNDXXLTYTLC-HXUWFJFHSA-N 0 0 373.460 4.433 50 30 FIEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)ccc1O ZINC000012469565 220000156 /nfs/dbraw/zinc/00/01/56/220000156.db2.gz FSVQGYUPCMIJDI-LLPDMMGZSA-N 0 0 368.458 4.333 50 30 FIEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)Nc1ccccc1F ZINC000012627623 220014094 /nfs/dbraw/zinc/01/40/94/220014094.db2.gz BFKVEXRBKZYLRU-ZDUSSCGKSA-N 0 0 368.437 4.208 50 30 FIEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC#Cc1ccccc1 ZINC000012731441 220022850 /nfs/dbraw/zinc/02/28/50/220022850.db2.gz NJRQQDJIXFWCAJ-UHFFFAOYSA-N 0 0 368.795 4.224 50 30 FIEARN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012798596 220031626 /nfs/dbraw/zinc/03/16/26/220031626.db2.gz YUATYNUKZYICHT-JTQLQIEISA-N 0 0 366.751 4.219 50 30 FIEARN N#CCc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 ZINC000012804426 220032603 /nfs/dbraw/zinc/03/26/03/220032603.db2.gz ANEYZXTUZPKDOP-UHFFFAOYSA-N 0 0 368.396 4.451 50 30 FIEARN N#Cc1cc(C(=O)c2ccc(Cl)cc2)n2c1sc1ccccc1c2=O ZINC000012907668 220041027 /nfs/dbraw/zinc/04/10/27/220041027.db2.gz OECKWTJPJIGXRG-UHFFFAOYSA-N 0 0 364.813 4.270 50 30 FIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012981750 220048900 /nfs/dbraw/zinc/04/89/00/220048900.db2.gz LZHFHJXLYQOAMV-FOIQADDNSA-N 0 0 362.454 4.293 50 30 FIEARN CCOc1cc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000013122552 220058697 /nfs/dbraw/zinc/05/86/97/220058697.db2.gz XCNAIYQYAIHNOS-SFHVURJKSA-N 0 0 367.449 4.023 50 30 FIEARN CCC[C@H](NC(=S)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000013519114 220070548 /nfs/dbraw/zinc/07/05/48/220070548.db2.gz HXGHHMVEEJLYLB-XOUIXPDISA-N 0 0 350.572 4.426 50 30 FIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)o1 ZINC000013656037 220081668 /nfs/dbraw/zinc/08/16/68/220081668.db2.gz YMUCZYAOTJBNPJ-WCAZMMCPSA-N 0 0 367.445 4.388 50 30 biogenic FIEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccccc2C)n1 ZINC000013756501 220093710 /nfs/dbraw/zinc/09/37/10/220093710.db2.gz GTSNQDJIGWUXJG-UHFFFAOYSA-N 0 0 359.433 4.122 50 30 FIEARN N#C/N=C(/N)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000013764911 220093809 /nfs/dbraw/zinc/09/38/09/220093809.db2.gz JFWPAZKPRQIEDM-UHFFFAOYSA-N 0 0 369.453 4.399 50 30 FIEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000013714481 220088385 /nfs/dbraw/zinc/08/83/85/220088385.db2.gz HCXJYBBXIYBIFQ-UNOMPAQXSA-N 0 0 364.470 4.380 50 30 FIEARN Cc1csc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000014085425 220105150 /nfs/dbraw/zinc/10/51/50/220105150.db2.gz ZBQLKODCQZNICY-HNNXBMFYSA-N 0 0 363.442 4.455 50 30 FIEARN CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000014183197 220113443 /nfs/dbraw/zinc/11/34/43/220113443.db2.gz JBTJYODSYKLNDR-NRFANRHFSA-N 0 0 361.489 4.007 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000015684491 220160291 /nfs/dbraw/zinc/16/02/91/220160291.db2.gz CICDFLWJXQNRLD-BQYQJAHWSA-N 0 0 362.769 4.074 50 30 FIEARN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 ZINC000015583373 220156188 /nfs/dbraw/zinc/15/61/88/220156188.db2.gz FLDLNJNDBWUKGT-INIZCTEOSA-N 0 0 362.454 4.265 50 30 FIEARN Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)CCCC2 ZINC000015834499 220166103 /nfs/dbraw/zinc/16/61/03/220166103.db2.gz MWPQDMCXNLQWOX-UHFFFAOYSA-N 0 0 351.475 4.180 50 30 FIEARN N#Cc1cccc(Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c1 ZINC000015861643 220168812 /nfs/dbraw/zinc/16/88/12/220168812.db2.gz FYXFRXKUQCXUGZ-UHFFFAOYSA-N 0 0 355.372 4.326 50 30 FIEARN C=CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000017042466 220200218 /nfs/dbraw/zinc/20/02/18/220200218.db2.gz UDHVLVDMIYIAQA-UHFFFAOYSA-N 0 0 356.433 4.465 50 30 FIEARN Cc1ccc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000017041961 220200484 /nfs/dbraw/zinc/20/04/84/220200484.db2.gz PMTLURKIZJTKED-UHFFFAOYSA-N 0 0 350.443 4.243 50 30 FIEARN N#Cc1c(NC(=O)Cc2ccc(Br)cc2)sc2c1CCC2 ZINC000017074374 220204173 /nfs/dbraw/zinc/20/41/73/220204173.db2.gz LXZURUDHHFFVDX-UHFFFAOYSA-N 0 0 361.264 4.052 50 30 FIEARN CCOc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 ZINC000017837407 220217271 /nfs/dbraw/zinc/21/72/71/220217271.db2.gz TYKCJBIJUVVJIL-UHFFFAOYSA-N 0 0 359.223 4.229 50 30 FIEARN CCOc1cc(/C=C2/S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O ZINC000018096888 220223819 /nfs/dbraw/zinc/22/38/19/220223819.db2.gz ZJCHNXPUXKRXIW-WOJGMQOQSA-N 0 0 368.458 4.299 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000019313806 220249811 /nfs/dbraw/zinc/24/98/11/220249811.db2.gz MEDLNZLUJOFGRS-AVRDEDQJSA-N 0 0 373.452 4.221 50 30 FIEARN C=CCN[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl ZINC000019315948 220250343 /nfs/dbraw/zinc/25/03/43/220250343.db2.gz SBHNAPZXVVASOF-AWEZNQCLSA-N 0 0 363.716 4.186 50 30 FIEARN CC[C@@H](CO)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820405 220299503 /nfs/dbraw/zinc/29/95/03/220299503.db2.gz XGDOITRYUIJOQE-HNNXBMFYSA-N 0 0 370.522 4.217 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000019832597 220301831 /nfs/dbraw/zinc/30/18/31/220301831.db2.gz WQVFCAVYWQJFRA-UHFFFAOYSA-N 0 0 365.473 4.365 50 30 FIEARN COc1ccccc1[C@H]1CC(=O)Nc2sc3c(nc(N)c(C#N)c3C)c21 ZINC000020029531 220311034 /nfs/dbraw/zinc/31/10/34/220311034.db2.gz MRLDZKPHSXTYGP-LLVKDONJSA-N 0 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CCOC(=O)c1c(C)oc2c1C(=CNc1cccnc1)C(=O)c1ccccc1-2 ZINC000100859158 222255053 /nfs/dbraw/zinc/25/50/53/222255053.db2.gz LFHGGOGYEDVNGQ-ATVHPVEESA-N 0 0 374.396 4.476 50 30 FIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000102525211 222297586 /nfs/dbraw/zinc/29/75/86/222297586.db2.gz ZCAPIJFGABDPPQ-YDJIHCHBSA-N 0 0 370.408 4.016 50 30 FIEARN CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(F)cc3C#N)c2)cc1 ZINC000125865086 222531870 /nfs/dbraw/zinc/53/18/70/222531870.db2.gz DHSSJAVQKVLMNO-UHFFFAOYSA-N 0 0 360.392 4.078 50 30 FIEARN C=CCn1c(SCc2ccc(OC)c(F)c2)nc2ccccc2c1=O ZINC000002625120 263326046 /nfs/dbraw/zinc/32/60/46/263326046.db2.gz CUEFMYCPPRHFPU-UHFFFAOYSA-N 0 0 356.422 4.023 50 30 FIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccccc1F ZINC000005180672 263339006 /nfs/dbraw/zinc/33/90/06/263339006.db2.gz DHLMDTMRZXHYQD-GRSHGNNSSA-N 0 0 361.328 4.056 50 30 FIEARN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2C#N)cc1 ZINC000006887117 263348370 /nfs/dbraw/zinc/34/83/70/263348370.db2.gz 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518640351 /nfs/dbraw/zinc/64/03/51/518640351.db2.gz CFDXKDYDOSKTOS-UHFFFAOYSA-N 0 0 367.434 4.117 50 30 FIEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000000975950 518646456 /nfs/dbraw/zinc/64/64/56/518646456.db2.gz CPMDUHSOYKOXMB-UHFFFAOYSA-N 0 0 352.434 4.183 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000007759146 518796666 /nfs/dbraw/zinc/79/66/66/518796666.db2.gz VKSINEQYQBGHRT-SDNWHVSQSA-N 0 0 359.429 4.273 50 30 FIEARN C=CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 ZINC000032958191 519141706 /nfs/dbraw/zinc/14/17/06/519141706.db2.gz KLINEMSCVFOQHX-NSHDSACASA-N 0 0 365.351 4.247 50 30 FIEARN CCCCCCCOC(=O)CCCCSc1ncnc2[nH]cnc21 ZINC000100730181 520060595 /nfs/dbraw/zinc/06/05/95/520060595.db2.gz PYTMMQHEUGHJPJ-UHFFFAOYSA-N 0 0 350.488 4.129 50 30 FIEARN CCCOc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019882213 520321694 /nfs/dbraw/zinc/32/16/94/520321694.db2.gz KSOJDBVKJZXSEN-XQNSMLJCSA-N 0 0 371.912 4.281 50 30 FIEARN CCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(C)c1 ZINC000008179102 520979176 /nfs/dbraw/zinc/97/91/76/520979176.db2.gz OHALMTDYDBITGK-HKWRFOASSA-N 0 0 359.429 4.080 50 30 FIEARN COc1cc(/C=C/C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1OCC#N ZINC000015562119 521932003 /nfs/dbraw/zinc/93/20/03/521932003.db2.gz XJOTWVCGVUKTEU-RCQQVGEISA-N 0 0 370.836 4.142 50 30 FIEARN COc1cc(C(=O)/C=C\c2cc(Br)ccc2OC)ccc1O ZINC000096792753 522053309 /nfs/dbraw/zinc/05/33/09/522053309.db2.gz WNRAXLSKKWHESB-XQRVVYSFSA-N 0 0 363.207 4.068 50 30 FIEARN COc1cc(CN(C)C[C@H](C#N)CCC#N)ccc1OCc1ccccc1 ZINC000032735892 522349074 /nfs/dbraw/zinc/34/90/74/522349074.db2.gz SCBSWIRQMJVJSM-FQEVSTJZSA-N 0 0 363.461 4.150 50 30 FIEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020519355 523341947 /nfs/dbraw/zinc/34/19/47/523341947.db2.gz SZFZDBMNGLIXNL-MTJSOVHGSA-N 0 0 372.424 4.035 50 30 FIEARN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1OC ZINC000004468755 523440337 /nfs/dbraw/zinc/44/03/37/523440337.db2.gz 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CCC(=NNC(=S)Nc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 ZINC000263626476 1102754405 /nfs/dbraw/zinc/75/44/05/1102754405.db2.gz WEWTXWCXWCDEFI-UHFFFAOYSA-N 0 0 371.506 4.421 50 30 FIEARN CC(=O)c1ccc(N=C2SCCCN2C(=O)CCc2ccccc2)cc1 ZINC000254448448 1114089228 /nfs/dbraw/zinc/08/92/28/1114089228.db2.gz KCTLTAMOGKBPKS-UHFFFAOYSA-N 0 0 366.486 4.475 50 30 FIEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000028915554 1114093885 /nfs/dbraw/zinc/09/38/85/1114093885.db2.gz NAGACKHYRBPZHN-NVNXTCNLSA-N 0 0 357.397 4.237 50 30 FIEARN COc1cccc(NC(=S)NN=C(C)c2ccccc2OC(F)F)c1 ZINC000254878011 1114492497 /nfs/dbraw/zinc/49/24/97/1114492497.db2.gz RPOQMSXHBQFZEJ-UHFFFAOYSA-N 0 0 365.405 4.007 50 30 FIEARN O=C(/C=C/c1cccc(O)c1)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000007700972 1116325725 /nfs/dbraw/zinc/32/57/25/1116325725.db2.gz PLLBIFXDXWJDCV-NTEUORMPSA-N 0 0 373.408 4.306 50 30 FIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC ZINC000000655511 219310016 /nfs/dbraw/zinc/31/00/16/219310016.db2.gz 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COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1 ZINC000006819587 570654833 /nfs/dbraw/zinc/65/48/33/570654833.db2.gz HHHLNLRZTGFDDE-PKOBYXMFSA-N 0 0 361.441 4.008 50 30 FIEARN Cn1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000005489249 570663752 /nfs/dbraw/zinc/66/37/52/570663752.db2.gz OALOBTQWRROUIS-YVLHZVERSA-N 0 0 351.406 4.209 50 30 FIEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000005517414 570666710 /nfs/dbraw/zinc/66/67/10/570666710.db2.gz GYCHUPKBFJPXJH-MRXNPFEDSA-N 0 0 360.335 4.216 50 30 FIEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)c(C)c1 ZINC000034388893 570676517 /nfs/dbraw/zinc/67/65/17/570676517.db2.gz VLONDOVIFPMYKE-JIOQHACCSA-N 0 0 351.475 4.157 50 30 FIEARN Cc1cccc(C[C@@H]2SC(=NN=Cc3ccc(N(C)C)cc3)NC2=O)c1 ZINC000009089944 570691428 /nfs/dbraw/zinc/69/14/28/570691428.db2.gz CTYMNRVYFXAORD-LANLRWRYSA-N 0 0 366.490 4.066 50 30 FIEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(F)cc2)C1 ZINC000009318593 570694083 /nfs/dbraw/zinc/69/40/83/570694083.db2.gz QFWQONAGRASPHP-VFNWGFHPSA-N 0 0 374.419 4.141 50 30 FIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000009329915 570694140 /nfs/dbraw/zinc/69/41/40/570694140.db2.gz HHIWUSKQFVOMBL-SFHVURJKSA-N 0 0 353.393 4.204 50 30 FIEARN Oc1ccccc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000012375312 570740120 /nfs/dbraw/zinc/74/01/20/570740120.db2.gz ZTBXUZVEVKRRTE-IOMHPIHLSA-N 0 0 352.209 4.413 50 30 FIEARN CCc1ccc(/N=C2\S/C(=C/c3cccc(OC)c3)C(=O)N2C)cc1 ZINC000012467981 570748221 /nfs/dbraw/zinc/74/82/21/570748221.db2.gz QKFXHXIAPJGCTK-BIXZQSIESA-N 0 0 352.459 4.491 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 ZINC000032594240 570750486 /nfs/dbraw/zinc/75/04/86/570750486.db2.gz QZPBXZYEAJHTJC-UHFFFAOYSA-N 0 0 357.460 4.392 50 30 FIEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000004385990 570766490 /nfs/dbraw/zinc/76/64/90/570766490.db2.gz CLYZVWIMLCDGHE-MRXNPFEDSA-N 0 0 365.864 4.240 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1 ZINC000101381748 570819670 /nfs/dbraw/zinc/81/96/70/570819670.db2.gz VLMAVKBAQOFQFH-HJWRWDBZSA-N 0 0 350.187 4.405 50 30 FIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2O)cc1 ZINC000101447975 570820387 /nfs/dbraw/zinc/82/03/87/570820387.db2.gz JNCMWKMAZZCNJN-KGENOOAVSA-N 0 0 366.442 4.252 50 30 FIEARN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccccc1 ZINC000101509161 570820840 /nfs/dbraw/zinc/82/08/40/570820840.db2.gz SUFVQPBLRKGLJS-RABLAQOOSA-N 0 0 351.475 4.377 50 30 FIEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000004551726 570829540 /nfs/dbraw/zinc/82/95/40/570829540.db2.gz NRJIVVGRZXSWPS-CPNJWEJPSA-N 0 0 363.438 4.244 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102623833 570834991 /nfs/dbraw/zinc/83/49/91/570834991.db2.gz PUZNUNAVSUVFIY-LCPUNJGISA-N 0 0 371.392 4.019 50 30 FIEARN N#Cc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000032901639 570841267 /nfs/dbraw/zinc/84/12/67/570841267.db2.gz 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/nfs/dbraw/zinc/91/87/73/570918773.db2.gz RWMUDNFKYGGBOB-UHFFFAOYSA-N 0 0 357.797 4.386 50 30 FIEARN Cc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)c(C)c2)c1 ZINC000046125511 570926636 /nfs/dbraw/zinc/92/66/36/570926636.db2.gz RHRGBPHDMOSNNB-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2ccccn2)cc1 ZINC000046125779 570926702 /nfs/dbraw/zinc/92/67/02/570926702.db2.gz HIYFMWREMDNKDB-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCc1ccccn1 ZINC000046126110 570926751 /nfs/dbraw/zinc/92/67/51/570926751.db2.gz WOKRMZDAKJRTHT-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN COc1ccc2c(c1)C(=O)/C(=C\c1c(C)nn(CC(C)C)c1Cl)CO2 ZINC000022958275 570953668 /nfs/dbraw/zinc/95/36/68/570953668.db2.gz CZYQZBXTBJCDHI-QPEQYQDCSA-N 0 0 360.841 4.168 50 30 FIEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000006527241 570968678 /nfs/dbraw/zinc/96/86/78/570968678.db2.gz SVCOXFIESDCZNR-ZHACJKMWSA-N 0 0 362.429 4.285 50 30 FIEARN O=C(C=NOCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1Cl ZINC000255499127 571009263 /nfs/dbraw/zinc/00/92/63/571009263.db2.gz MERIIELFZQEZPY-UHFFFAOYSA-N 0 0 373.771 4.275 50 30 FIEARN N#Cc1ccc(-c2csc(NC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000038550348 571045563 /nfs/dbraw/zinc/04/55/63/571045563.db2.gz RNIZDFPZXPTIGU-UHFFFAOYSA-N 0 0 352.394 4.143 50 30 FIEARN C=CCn1c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2oc1=O ZINC000046141150 571049674 /nfs/dbraw/zinc/04/96/74/571049674.db2.gz OIINJPASKJNPRR-UHFFFAOYSA-N 0 0 357.797 4.386 50 30 FIEARN COc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1OC ZINC000008535499 571049867 /nfs/dbraw/zinc/04/98/67/571049867.db2.gz MJDZCUALLAUPBV-ODYMAQSMSA-N 0 0 367.449 4.216 50 30 FIEARN Cc1ccc(C(C)N=Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000008656324 571054149 /nfs/dbraw/zinc/05/41/49/571054149.db2.gz RUGBTAIKJYLGMA-QQXSKIMKSA-N 0 0 353.429 4.258 50 30 FIEARN C=CCn1c(SCCCC#N)nc2scc(-c3ccco3)c2c1=O ZINC000008668752 571054727 /nfs/dbraw/zinc/05/47/27/571054727.db2.gz 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/nfs/dbraw/zinc/09/12/76/571091276.db2.gz ZXPNQKLCTHUKAY-IBGZPJMESA-N 0 0 365.429 4.074 50 30 FIEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 ZINC000040285877 571093514 /nfs/dbraw/zinc/09/35/14/571093514.db2.gz CNXIMUOYTUXTQP-MRXNPFEDSA-N 0 0 350.328 4.146 50 30 FIEARN COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 ZINC000009134672 571098960 /nfs/dbraw/zinc/09/89/60/571098960.db2.gz BALHWVRDDRWEEL-UHFFFAOYSA-N 0 0 373.456 4.215 50 30 FIEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1 ZINC000033011258 571099414 /nfs/dbraw/zinc/09/94/14/571099414.db2.gz KVQVECGJRQQWCV-UHFFFAOYSA-N 0 0 351.475 4.161 50 30 FIEARN O=C1C[C@@H](/C=C/c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000009190049 571100554 /nfs/dbraw/zinc/10/05/54/571100554.db2.gz UNLYGRGVEDSGDH-AZZJSKFUSA-N 0 0 368.440 4.240 50 30 FIEARN CC1(C)Cc2c(C#N)c(N3CCCCC3)nc(Cc3ccccc3)c2CO1 ZINC000013510153 571101882 /nfs/dbraw/zinc/10/18/82/571101882.db2.gz TWZWVVLWTIBCBD-UHFFFAOYSA-N 0 0 361.489 4.386 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(F)c1 ZINC000007720271 571104331 /nfs/dbraw/zinc/10/43/31/571104331.db2.gz BDFUEUHOUHWFJU-UHFFFAOYSA-N 0 0 351.381 4.013 50 30 FIEARN Cc1noc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000072332304 571123288 /nfs/dbraw/zinc/12/32/88/571123288.db2.gz CTKHVQMZAZBSQB-INIZCTEOSA-N 0 0 353.378 4.092 50 30 FIEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1O ZINC000072332397 571123315 /nfs/dbraw/zinc/12/33/15/571123315.db2.gz RCPMOXGTXWGMOY-GOSISDBHSA-N 0 0 368.433 4.288 50 30 FIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3cc(C(C)=O)c[nH]3)n2)c1C ZINC000010256460 571124340 /nfs/dbraw/zinc/12/43/40/571124340.db2.gz GXDVESIORCQNIL-UHFFFAOYSA-N 0 0 368.462 4.197 50 30 FIEARN C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000253617059 571135538 /nfs/dbraw/zinc/13/55/38/571135538.db2.gz RSBPOYAJCVXJON-LVNJTEGBSA-N 0 0 374.521 4.009 50 30 FIEARN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S ZINC000033321535 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O=C1c2ccccc2C(=O)C1=Cc1coc2c3ccccc3ccc2c1=O ZINC000002348381 219439984 /nfs/dbraw/zinc/43/99/84/219439984.db2.gz QRVFWIUQRQKQJM-UHFFFAOYSA-N 0 0 352.345 4.409 50 30 FIEARN CC(=O)C(=CNc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002562213 219449423 /nfs/dbraw/zinc/44/94/23/219449423.db2.gz XSXVMMLMYQKWRA-YBEGLDIGSA-N 0 0 370.257 4.310 50 30 FIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000004066176 219537757 /nfs/dbraw/zinc/53/77/57/219537757.db2.gz QSUHGKQRKSOQAI-HXUWFJFHSA-N 0 0 365.473 4.328 50 30 FIEARN COc1cc(Cl)cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c1O ZINC000004689036 219595201 /nfs/dbraw/zinc/59/52/01/219595201.db2.gz ZACWBEONFANOJV-COTAJSOYSA-N 0 0 368.886 4.143 50 30 FIEARN COc1ccc(/C=C/c2nc(C#N)c(NC3CCCCC3)o2)cc1OC ZINC000004852724 219614793 /nfs/dbraw/zinc/61/47/93/219614793.db2.gz SQFRVPXJONVFGB-PKNBQFBNSA-N 0 0 353.422 4.478 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccs1 ZINC000004919338 219623978 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O=C1C[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819945 219773980 /nfs/dbraw/zinc/77/39/80/219773980.db2.gz OXZUXFYXLROYHI-CJNGLKHVSA-N 0 0 367.832 4.050 50 30 FIEARN O=C1C[C@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006820315 219775625 /nfs/dbraw/zinc/77/56/25/219775625.db2.gz WKVWTEXFFVVCRM-MLGOLLRUSA-N 0 0 371.358 4.108 50 30 FIEARN COc1cc(C#N)ccc1OC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000007780349 219825677 /nfs/dbraw/zinc/82/56/77/219825677.db2.gz KHEVBCCBMZKPCW-ZDUSSCGKSA-N 0 0 360.413 4.392 50 30 FIEARN N#Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000007947110 219835558 /nfs/dbraw/zinc/83/55/58/219835558.db2.gz LXZAKQUIDHDNAM-SFHVURJKSA-N 0 0 350.468 4.469 50 30 FIEARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1C#N ZINC000008746239 219868636 /nfs/dbraw/zinc/86/86/36/219868636.db2.gz UGZYFEQTARQQGS-GFCCVEGCSA-N 0 0 366.421 4.207 50 30 FIEARN N#Cc1cccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009295522 219877222 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Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000012868139 220036600 /nfs/dbraw/zinc/03/66/00/220036600.db2.gz OHVAUSXDSAJHQZ-LLVKDONJSA-N 0 0 355.344 4.020 50 30 FIEARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(C#N)cc1 ZINC000012972180 220047353 /nfs/dbraw/zinc/04/73/53/220047353.db2.gz PHOBXKWIRCCHLE-UHFFFAOYSA-N 0 0 363.442 4.463 50 30 FIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 ZINC000013208045 220061580 /nfs/dbraw/zinc/06/15/80/220061580.db2.gz MSVAAEUGSWPWAL-FQEVSTJZSA-N 0 0 373.408 4.367 50 30 FIEARN Oc1ccc(Br)cc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 ZINC000013563790 220074548 /nfs/dbraw/zinc/07/45/48/220074548.db2.gz IUTUYKAZMWANOF-NVZAWQASSA-N 0 0 357.211 4.484 50 30 FIEARN NC(=NC(=O)c1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2o1 ZINC000013841707 220097026 /nfs/dbraw/zinc/09/70/26/220097026.db2.gz HLVUPULVKFVVBW-UHFFFAOYSA-N 0 0 356.385 4.062 50 30 FIEARN CC(C)c1cc(=O)oc2cc(OCC(=O)NC3(C#N)CCCCC3)ccc21 ZINC000014094636 220106391 /nfs/dbraw/zinc/10/63/91/220106391.db2.gz 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220195488 /nfs/dbraw/zinc/19/54/88/220195488.db2.gz UIHKDRLSIWPIFE-UHFFFAOYSA-N 0 0 365.433 4.495 50 30 FIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 ZINC000017730418 220217786 /nfs/dbraw/zinc/21/77/86/220217786.db2.gz GZSIETKQGOXSNR-FQEVSTJZSA-N 0 0 369.461 4.094 50 30 FIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000018244315 220230066 /nfs/dbraw/zinc/23/00/66/220230066.db2.gz ACDAJNFYXJJGPE-OAQYLSRUSA-N 0 0 361.445 4.245 50 30 FIEARN O=c1[nH][nH]c2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197256 220227772 /nfs/dbraw/zinc/22/77/72/220227772.db2.gz CICVUTPLLUWNMK-HZMBPMFUSA-N 0 0 369.471 4.197 50 30 FIEARN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200790 220228164 /nfs/dbraw/zinc/22/81/64/220228164.db2.gz CFXVDCWPURRYCX-QFYYESIMSA-N 0 0 367.430 4.036 50 30 FIEARN C=CCn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=N ZINC000019952143 220306762 /nfs/dbraw/zinc/30/67/62/220306762.db2.gz UZPYKAOIRVNNSS-UHFFFAOYSA-N 0 0 362.260 4.494 50 30 FIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccccc1Cl)CC(=O)N3 ZINC000020150262 220316143 /nfs/dbraw/zinc/31/61/43/220316143.db2.gz LUTXIHFTNWRKIR-SNVBAGLBSA-N 0 0 368.849 4.186 50 30 FIEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020464434 220328384 /nfs/dbraw/zinc/32/83/84/220328384.db2.gz VTZBMHBSLGIRGR-SUNYJGFJSA-N 0 0 363.465 4.446 50 30 FIEARN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(OC)c1O ZINC000033458165 220742158 /nfs/dbraw/zinc/74/21/58/220742158.db2.gz ATSUKRPQMRZMNQ-ATVHPVEESA-N 0 0 366.442 4.021 50 30 FIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(Br)cc2)c1 ZINC000051318560 221034720 /nfs/dbraw/zinc/03/47/20/221034720.db2.gz IHCMLDBQBKGIQH-MDZDMXLPSA-N 0 0 362.223 4.275 50 30 FIEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366875 221035641 /nfs/dbraw/zinc/03/56/41/221035641.db2.gz HRXBFBYTBLGFIV-ILZOBUCISA-N 0 0 355.438 4.070 50 30 FIEARN C#CCOC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000055466437 221070795 /nfs/dbraw/zinc/07/07/95/221070795.db2.gz KYYNIZWVEKVLBZ-UHFFFAOYSA-N 0 0 355.393 4.455 50 30 FIEARN C=CCN(Cc1ccccc1Cl)C(=O)[C@H](c1cccnc1)N1CCCC1 ZINC000055358892 221067153 /nfs/dbraw/zinc/06/71/53/221067153.db2.gz AUYOBUPIMWIWCU-FQEVSTJZSA-N 0 0 369.896 4.087 50 30 FIEARN N#CC(c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000063110832 221141675 /nfs/dbraw/zinc/14/16/75/221141675.db2.gz LROWRWKEEDJSIW-UHFFFAOYSA-N 0 0 352.133 4.465 50 30 FIEARN N#Cc1ccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)cc1 ZINC000064891327 221155774 /nfs/dbraw/zinc/15/57/74/221155774.db2.gz HDPXBMPDBRRNKP-UHFFFAOYSA-N 0 0 371.400 4.033 50 30 FIEARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000065149413 221172620 /nfs/dbraw/zinc/17/26/20/221172620.db2.gz GMLOXJCIWPWTHQ-UHFFFAOYSA-N 0 0 368.393 4.247 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1OC ZINC000069374837 221325476 /nfs/dbraw/zinc/32/54/76/221325476.db2.gz FYEOJSDUEKFCBA-APWZRJJASA-N 0 0 356.443 4.076 50 30 FIEARN 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/nfs/dbraw/zinc/57/17/82/570571782.db2.gz QLWJJACOPOJCFU-GFCCVEGCSA-N 0 0 374.853 4.156 50 30 FIEARN CC1(C)CC(=O)C(=CNc2ccc(-c3cn4ccsc4n3)cc2)C(=O)C1 ZINC000121018726 570576613 /nfs/dbraw/zinc/57/66/13/570576613.db2.gz CEEOTNTZVNWQMN-UHFFFAOYSA-N 0 0 365.458 4.317 50 30 FIEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004312412 570584305 /nfs/dbraw/zinc/58/43/05/570584305.db2.gz IAZYXWVAQHNSQK-HNNXBMFYSA-N 0 0 362.212 4.202 50 30 FIEARN O=[N+]([O-])c1ccc(C=NNc2nc3c(cc(Cl)cc3Cl)s2)s1 ZINC000004382710 570588370 /nfs/dbraw/zinc/58/83/70/570588370.db2.gz PMTUGDRYGZSCAB-PJQLUOCWSA-N 0 0 373.246 4.441 50 30 FIEARN c1csc(CN=Nc2ncc(-c3ccc4c(c3)OCCCO4)s2)c1 ZINC000004394878 570589669 /nfs/dbraw/zinc/58/96/69/570589669.db2.gz GQFJBQIVMHABOG-VXLYETTFSA-N 0 0 357.460 4.479 50 30 FIEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)o1 ZINC000005156738 570595932 /nfs/dbraw/zinc/59/59/32/570595932.db2.gz PHLZRLMVYHSYRI-YBEGLDIGSA-N 0 0 352.367 4.485 50 30 FIEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)ccc1O ZINC000004664313 570599416 /nfs/dbraw/zinc/59/94/16/570599416.db2.gz QPIWBRXOUHNIFE-KXNKKEQVSA-N 0 0 368.458 4.415 50 30 FIEARN COc1cc(N=NC(C)c2cccc(C(F)(F)F)c2)nc(SC)n1 ZINC000004667626 570600188 /nfs/dbraw/zinc/60/01/88/570600188.db2.gz JZJNQMWONNIOJC-ZVBGSRNCSA-N 0 0 356.373 4.062 50 30 FIEARN Cc1oc(/N=C/c2cccc(I)c2)c(C#N)c1C ZINC000004985016 570616064 /nfs/dbraw/zinc/61/60/64/570616064.db2.gz ZEEUSIQKCBFFLZ-CAOOACKPSA-N 0 0 350.159 4.123 50 30 FIEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cccs2)C1=O ZINC000005059502 570620085 /nfs/dbraw/zinc/62/00/85/570620085.db2.gz MYKJZECCCZNBFJ-GZTJUZNOSA-N 0 0 353.443 4.242 50 30 FIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc(F)cc1 ZINC000005180376 570629569 /nfs/dbraw/zinc/62/95/69/570629569.db2.gz CQARQCIWASCMAM-ODLFYWEKSA-N 0 0 361.328 4.056 50 30 FIEARN Cc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000005531938 570629886 /nfs/dbraw/zinc/62/98/86/570629886.db2.gz LKJFEVJLZCHMNR-OAHLLOKOSA-N 0 0 364.392 4.476 50 30 FIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000005209412 570633343 /nfs/dbraw/zinc/63/33/43/570633343.db2.gz XEHFZIMBSZZUPP-INIZCTEOSA-N 0 0 361.445 4.142 50 30 FIEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005302611 570646655 /nfs/dbraw/zinc/64/66/55/570646655.db2.gz QUAKICSHPSUQHK-UWJYYQICSA-N 0 0 356.429 4.002 50 30 FIEARN Cc1cc(O)ccc1NC=c1c(C)c(C#N)c2nc3ccccc3n2c1=O ZINC000005387222 570650917 /nfs/dbraw/zinc/65/09/17/570650917.db2.gz BLJWCMSEKICEJW-FOKLQQMPSA-N 0 0 356.385 4.138 50 30 FIEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819800 570654801 /nfs/dbraw/zinc/65/48/01/570654801.db2.gz DBWRHXJXPLJKCI-SWLSCSKDSA-N 0 0 369.823 4.483 50 30 FIEARN O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006820426 570655236 /nfs/dbraw/zinc/65/52/36/570655236.db2.gz FZHDZRCFOVCQPU-MFKMUULPSA-N 0 0 359.397 4.031 50 30 FIEARN CCOC(OCC)c1ccc(C(=O)[C@@H]2O[C@H]2c2ccc(Cl)cc2)o1 ZINC000003168016 570656836 /nfs/dbraw/zinc/65/68/36/570656836.db2.gz OLQGSWFGXHFFAW-IRXDYDNUSA-N 0 0 350.798 4.327 50 30 FIEARN COCCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 ZINC000004444675 570667940 /nfs/dbraw/zinc/66/79/40/570667940.db2.gz VGAXXAGPEUMZHD-UHFFFAOYSA-N 0 0 364.474 4.064 50 30 FIEARN CNC(=S)NN=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000008685053 570684883 /nfs/dbraw/zinc/68/48/83/570684883.db2.gz REYUXAOUEHKDBX-LSFURLLWSA-N 0 0 374.872 4.321 50 30 FIEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000009087944 570691173 /nfs/dbraw/zinc/69/11/73/570691173.db2.gz WQPJTSPKZZGEFA-LJQANCHMSA-N 0 0 374.371 4.004 50 30 FIEARN N#Cc1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1Cl ZINC000022811801 570692612 /nfs/dbraw/zinc/69/26/12/570692612.db2.gz SCMSZSHYLQGZNX-UHFFFAOYSA-N 0 0 369.730 4.161 50 30 FIEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 ZINC000012406262 570742549 /nfs/dbraw/zinc/74/25/49/570742549.db2.gz SIFUSBAHGPJGGT-HIXSDJFHSA-N 0 0 374.440 4.429 50 30 FIEARN N#Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000004358798 570756948 /nfs/dbraw/zinc/75/69/48/570756948.db2.gz QAXZCRACNFKIHF-UHFFFAOYSA-N 0 0 369.453 4.493 50 30 FIEARN O=[N+]([O-])c1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)ccc1Cl ZINC000005567623 570776699 /nfs/dbraw/zinc/77/66/99/570776699.db2.gz HOFXEXPZXVPOEU-LRNAUUFOSA-N 0 0 365.645 4.390 50 30 FIEARN CCOC(=O)CC(N=Nc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000004476687 570793271 /nfs/dbraw/zinc/79/32/71/570793271.db2.gz FFPQOTHSFKXPLJ-NDENLUEZSA-N 0 0 357.357 4.094 50 30 FIEARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc(C)c2C#N)c1 ZINC000032770790 570797225 /nfs/dbraw/zinc/79/72/25/570797225.db2.gz XISDWGQPVCVWQG-CQSZACIVSA-N 0 0 366.490 4.270 50 30 FIEARN Cc1c(C#N)c2c3ccccc3ccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005677963 570805632 /nfs/dbraw/zinc/80/56/32/570805632.db2.gz AKMRELLDAQVSBI-UHFFFAOYSA-N 0 0 355.353 4.412 50 30 FIEARN COc1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1OC ZINC000101377435 570819684 /nfs/dbraw/zinc/81/96/84/570819684.db2.gz OYKZQJKHRYLSTE-KTKRTIGZSA-N 0 0 362.223 4.275 50 30 FIEARN C=CCc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000032883786 570835046 /nfs/dbraw/zinc/83/50/46/570835046.db2.gz JBKMGGGCEDRDEH-LJQANCHMSA-N 0 0 351.446 4.410 50 30 FIEARN N#Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000032900621 570839207 /nfs/dbraw/zinc/83/92/07/570839207.db2.gz WQGAYTUBUKICPU-UHFFFAOYSA-N 0 0 356.385 4.455 50 30 FIEARN C[C@@H]1CCC(=CNCCCCCCNC=C2CC[C@H](C)CC2=O)C(=O)C1 ZINC000103709566 570852345 /nfs/dbraw/zinc/85/23/45/570852345.db2.gz JVPZUSSZOFCTNT-NQUNEPBHSA-N 0 0 360.542 4.272 50 30 FIEARN Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2C)c(C)c1 ZINC000004909473 570879237 /nfs/dbraw/zinc/87/92/37/570879237.db2.gz ASAHFAYNLAXDSM-KYPJYIKXSA-N 0 0 351.475 4.077 50 30 FIEARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000044758306 570899099 /nfs/dbraw/zinc/89/90/99/570899099.db2.gz PEPMOKAIMNQREN-UHFFFAOYSA-N 0 0 355.397 4.371 50 30 FIEARN CCCCOc1ccc(C(=O)C=CNc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000044843288 570901554 /nfs/dbraw/zinc/90/15/54/570901554.db2.gz AUWXIIGVPXJCMP-BUHFOSPRSA-N 0 0 373.474 4.078 50 30 FIEARN Cc1cccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2C)c1 ZINC000045939677 570914819 /nfs/dbraw/zinc/91/48/19/570914819.db2.gz SMNRNHNKDMVDND-UHFFFAOYSA-N 0 0 358.445 4.097 50 30 FIEARN Cc1nn(-c2ccccc2)c2nc(OCc3ccccc3C#N)cc(C)c12 ZINC000045995303 570917906 /nfs/dbraw/zinc/91/79/06/570917906.db2.gz QWPUBAPYNBLMEI-UHFFFAOYSA-N 0 0 354.413 4.488 50 30 FIEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)c(C)c2)cc1 ZINC000046125524 570926662 /nfs/dbraw/zinc/92/66/62/570926662.db2.gz LLYMKDXKHWDEDT-UHFFFAOYSA-N 0 0 372.472 4.405 50 30 FIEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130429 570928133 /nfs/dbraw/zinc/92/81/33/570928133.db2.gz CTDWZNCPZFNSFN-SFHVURJKSA-N 0 0 371.868 4.025 50 30 FIEARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000066348732 570956935 /nfs/dbraw/zinc/95/69/35/570956935.db2.gz VTHUYJIXSMGYOQ-BSNLUDBSSA-N 0 0 372.505 4.409 50 30 FIEARN C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1C ZINC000002693421 570967316 /nfs/dbraw/zinc/96/73/16/570967316.db2.gz IAYWPNJEQXITET-RMKNXTFCSA-N 0 0 362.838 4.100 50 30 FIEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000002974908 571002259 /nfs/dbraw/zinc/00/22/59/571002259.db2.gz OBWGNBIEVKRNEB-UHFFFAOYSA-N 0 0 372.465 4.324 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000002978001 571012146 /nfs/dbraw/zinc/01/21/46/571012146.db2.gz LBDCWCIWBUGDLC-SCOAYWHSSA-N 0 0 364.430 4.254 50 30 FIEARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)O[C@@H](C#N)C(C)C ZINC000072280423 571034626 /nfs/dbraw/zinc/03/46/26/571034626.db2.gz OOAXSVLPSQGHCI-SFHVURJKSA-N 0 0 359.857 4.085 50 30 FIEARN N#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000008394276 571045107 /nfs/dbraw/zinc/04/51/07/571045107.db2.gz NGDDKXSLDUONKY-UHFFFAOYSA-N 0 0 355.441 4.199 50 30 FIEARN C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000012717265 571051946 /nfs/dbraw/zinc/05/19/46/571051946.db2.gz PFWTZZIBWGJPNT-FQEVSTJZSA-N 0 0 362.473 4.415 50 30 FIEARN Cc1nc(SCC(=O)N(C2=CCCCC2)C2CC2)c(C#N)c(C)c1C ZINC000008706902 571055874 /nfs/dbraw/zinc/05/58/74/571055874.db2.gz LZOIRXWXZLZIFL-UHFFFAOYSA-N 0 0 355.507 4.420 50 30 FIEARN CCOc1ccccc1-c1nnc(SCCOc2ccc(C#N)cc2)o1 ZINC000008755812 571060256 /nfs/dbraw/zinc/06/02/56/571060256.db2.gz PPEGUSICYRQORH-UHFFFAOYSA-N 0 0 367.430 4.178 50 30 FIEARN N#Cc1c(COC(=O)CCCSc2ccccc2)cn2ccccc12 ZINC000040039875 571069484 /nfs/dbraw/zinc/06/94/84/571069484.db2.gz QQDQNINQJLFQAC-UHFFFAOYSA-N 0 0 350.443 4.427 50 30 FIEARN CCn1nc(C(C)C)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032963701 571074547 /nfs/dbraw/zinc/07/45/47/571074547.db2.gz SLAUZQCTQKPPHO-UHFFFAOYSA-N 0 0 358.445 4.074 50 30 FIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000004836678 571076440 /nfs/dbraw/zinc/07/64/40/571076440.db2.gz CSNWEHWVGITYOP-UHFFFAOYSA-N 0 0 364.788 4.160 50 30 FIEARN Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccccc2)C3)c1C ZINC000032985436 571083142 /nfs/dbraw/zinc/08/31/42/571083142.db2.gz USJSOPYPUTZRMX-GOSISDBHSA-N 0 0 368.436 4.239 50 30 FIEARN COc1ccc(N=C2NC(=O)C(=Cc3ccc(O)c(OC)c3)S2)cc1 ZINC000008969514 571084914 /nfs/dbraw/zinc/08/49/14/571084914.db2.gz NKPNQUGCYMLOHH-MHWRWJLKSA-N 0 0 356.403 4.141 50 30 FIEARN C=CCc1ccc(OCC(=O)Nc2cccc(N3CCCC3)c2)c(OC)c1 ZINC000040146375 571085471 /nfs/dbraw/zinc/08/54/71/571085471.db2.gz NTIGAXKNFAQLQS-UHFFFAOYSA-N 0 0 366.461 4.041 50 30 FIEARN CCn1cc(/C=C2/Oc3cc(OCC(C)=O)ccc3C2=O)c2ccccc21 ZINC000008993383 571090214 /nfs/dbraw/zinc/09/02/14/571090214.db2.gz MFMIDNCRPGOBSC-UFFVCSGVSA-N 0 0 361.397 4.245 50 30 FIEARN Cc1ccc([C@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 ZINC000009012882 571091170 /nfs/dbraw/zinc/09/11/70/571091170.db2.gz LJXRNDXXLTYTLC-FQEVSTJZSA-N 0 0 373.460 4.433 50 30 FIEARN C=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1CC=C ZINC000006386851 571103698 /nfs/dbraw/zinc/10/36/98/571103698.db2.gz KACWFDAHOJIMNQ-UHFFFAOYSA-N 0 0 357.508 4.218 50 30 FIEARN Cn1cc(/C=C2/Oc3cc(OC(=O)C4CC4)ccc3C2=O)c2ccccc21 ZINC000009423822 571108986 /nfs/dbraw/zinc/10/89/86/571108986.db2.gz XAFKMWYWPFMFHF-KEBDBYFISA-N 0 0 359.381 4.110 50 30 FIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000005791248 571111717 /nfs/dbraw/zinc/11/17/17/571111717.db2.gz ACPSFEZTRFDYIT-JCAVJTNVSA-N 0 0 369.465 4.378 50 30 FIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009576061 571113888 /nfs/dbraw/zinc/11/38/88/571113888.db2.gz XTCLXQBQEHZBOO-YBEGLDIGSA-N 0 0 358.415 4.085 50 30 FIEARN C=CCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(F)c2)n1 ZINC000009622819 571115667 /nfs/dbraw/zinc/11/56/67/571115667.db2.gz AKSXLUIELYNKQB-UHFFFAOYSA-N 0 0 360.396 4.296 50 30 FIEARN C=CCn1c(CN(C)C/C(C)=C/C)nnc1SCc1cccc(F)c1 ZINC000011787658 571116859 /nfs/dbraw/zinc/11/68/59/571116859.db2.gz UOWUVZBNWYKDSM-GIDUJCDVSA-N 0 0 360.502 4.294 50 30 FIEARN CCc1cc2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2cc1O ZINC000010267159 571124589 /nfs/dbraw/zinc/12/45/89/571124589.db2.gz CPAWGZDDOYHQIW-UHFFFAOYSA-N 0 0 366.442 4.237 50 30 FIEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 ZINC000002479267 571125036 /nfs/dbraw/zinc/12/50/36/571125036.db2.gz DWIPDAZMJJOBBY-UHFFFAOYSA-N 0 0 370.499 4.223 50 30 FIEARN C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccccc2CC)s1 ZINC000010344947 571125544 /nfs/dbraw/zinc/12/55/44/571125544.db2.gz MEWJZYAFDXWDNA-UHFFFAOYSA-N 0 0 374.535 4.137 50 30 FIEARN C=CCn1c(C)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000012851274 571128793 /nfs/dbraw/zinc/12/87/93/571128793.db2.gz TXYGUEZEJFHCGF-UHFFFAOYSA-N 0 0 364.474 4.230 50 30 FIEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])o4)ccc3n2C)o1 ZINC000004543042 571131638 /nfs/dbraw/zinc/13/16/38/571131638.db2.gz SOINSVKVSYWABD-VXLYETTFSA-N 0 0 350.334 4.394 50 30 FIEARN O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000058391740 571132018 /nfs/dbraw/zinc/13/20/18/571132018.db2.gz MPAFCLBQVJEHTK-VQHVLOKHSA-N 0 0 373.408 4.328 50 30 FIEARN C[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000006129738 571137134 /nfs/dbraw/zinc/13/71/34/571137134.db2.gz QDNYYBSBHHRRTN-PYUKZKILSA-N 0 0 363.442 4.287 50 30 FIEARN N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000006161322 571138849 /nfs/dbraw/zinc/13/88/49/571138849.db2.gz HUSPCAWTHFQIQJ-OAQYLSRUSA-N 0 0 366.424 4.148 50 30 FIEARN CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 ZINC000005519991 571141658 /nfs/dbraw/zinc/14/16/58/571141658.db2.gz ITTQJOBJJIRHGG-AQTBWJFISA-N 0 0 351.475 4.207 50 30 FIEARN Cc1cc(C)c(C#N)c(S[C@H](C(=O)NC(C)(C)C)c2ccccc2)n1 ZINC000001042451 571144400 /nfs/dbraw/zinc/14/44/00/571144400.db2.gz APNBLXDNDSYERW-KRWDZBQOSA-N 0 0 353.491 4.318 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000001079997 571145671 /nfs/dbraw/zinc/14/56/71/571145671.db2.gz SYAGWLMWYQBCBM-UYAOXDASSA-N 0 0 353.393 4.057 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 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/nfs/dbraw/zinc/34/07/35/571340735.db2.gz VKDYYOJFWKESLI-UHFFFAOYSA-N 0 0 356.447 4.158 50 30 FIEARN Cc1cc(C(F)(F)F)nc(SCc2ccc([N+](=O)[O-])cc2)c1C#N ZINC000002759421 571340763 /nfs/dbraw/zinc/34/07/63/571340763.db2.gz UDIWOQBBOVGVAB-UHFFFAOYSA-N 0 0 353.325 4.481 50 30 FIEARN COc1cc(C(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F ZINC000002793656 571341068 /nfs/dbraw/zinc/34/10/68/571341068.db2.gz JPTPPQHGQKLBIL-UHFFFAOYSA-N 0 0 352.724 4.074 50 30 FIEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(Br)cc1)CCC2 ZINC000003176884 571345172 /nfs/dbraw/zinc/34/51/72/571345172.db2.gz FBRYDWBAHYMZNP-UHFFFAOYSA-N 0 0 373.275 4.179 50 30 FIEARN CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCCC2 ZINC000003893273 571352963 /nfs/dbraw/zinc/35/29/63/571352963.db2.gz KZYWUBARBSLFDC-UHFFFAOYSA-N 0 0 368.458 4.318 50 30 FIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000004033605 571354405 /nfs/dbraw/zinc/35/44/05/571354405.db2.gz HJUGGMLDQGLBCR-OAHLLOKOSA-N 0 0 363.486 4.465 50 30 FIEARN CNc1ncc(C([O-])=CC=[NH+]OCc2c(Cl)cccc2Cl)s1 ZINC000004091361 571355141 /nfs/dbraw/zinc/35/51/41/571355141.db2.gz MUBVJNCQFMHGHY-KPSZGOFPSA-N 0 0 358.250 4.267 50 30 FIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCO4 ZINC000004090798 571355166 /nfs/dbraw/zinc/35/51/66/571355166.db2.gz BNQZOWRSXRHBJK-GOSISDBHSA-N 0 0 371.436 4.419 50 30 biogenic FIEARN O=[N+]([O-])c1ccc(CN=Nc2nc3ccccc3c(-c3ccccc3)n2)o1 ZINC000004104455 571355288 /nfs/dbraw/zinc/35/52/88/571355288.db2.gz KOOQCQULJPBWDU-UDWIEESQSA-N 0 0 359.345 4.244 50 30 FIEARN C=CCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)OCC)c2)cc1 ZINC000008023659 571358482 /nfs/dbraw/zinc/35/84/82/571358482.db2.gz BQGKZQDQGQRPHZ-UHFFFAOYSA-N 0 0 368.433 4.092 50 30 FIEARN N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000008115235 571359055 /nfs/dbraw/zinc/35/90/55/571359055.db2.gz SRKZSIHJGAWOGT-QFIPXVFZSA-N 0 0 374.465 4.173 50 30 FIEARN N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000008115233 571359070 /nfs/dbraw/zinc/35/90/70/571359070.db2.gz SRKZSIHJGAWOGT-JOCHJYFZSA-N 0 0 374.465 4.173 50 30 FIEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2c1O ZINC000004947433 1086416137 /nfs/dbraw/zinc/41/61/37/1086416137.db2.gz IMHNJMHWAOLFCK-ODLFYWEKSA-N 0 0 366.333 4.198 50 30 FIEARN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328823845 1089944771 /nfs/dbraw/zinc/94/47/71/1089944771.db2.gz RXKWTMRKBWZDBJ-AOMKIAJQSA-N 0 0 372.428 4.256 50 30 FIEARN CC1(C)c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2NC1=O ZINC000328901272 1090031072 /nfs/dbraw/zinc/03/10/72/1090031072.db2.gz YWPFRHVHFZIFPF-XLIONFOSSA-N 0 0 373.456 4.478 50 30 FIEARN CC(C)(C)c1nc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000075298193 1090715855 /nfs/dbraw/zinc/71/58/55/1090715855.db2.gz KKGSVZGBHZCKEX-WBVHZDCISA-N 0 0 353.491 4.353 50 30 FIEARN CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000075298190 1090730265 /nfs/dbraw/zinc/73/02/65/1090730265.db2.gz KKGSVZGBHZCKEX-DOTOQJQBSA-N 0 0 353.491 4.353 50 30 FIEARN CCOc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1OC ZINC000254414398 1093731483 /nfs/dbraw/zinc/73/14/83/1093731483.db2.gz HOPBRNJBKBAHAD-UHFFFAOYSA-N 0 0 356.451 4.161 50 30 FIEARN CC(C)n1c2ccccc2nc1SCC(=O)NC1(C#N)CCCCC1 ZINC000006104860 1094486196 /nfs/dbraw/zinc/48/61/96/1094486196.db2.gz MQEGOUIGVQFTFP-UHFFFAOYSA-N 0 0 356.495 4.052 50 30 FIEARN CC(C)CC(=O)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21 ZINC000254558279 1114220740 /nfs/dbraw/zinc/22/07/40/1114220740.db2.gz LNZNINUOLBNDCY-UHFFFAOYSA-N 0 0 372.266 4.026 50 30 FIEARN COc1ccc(/C=C2\CSC/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000006005934 1115557285 /nfs/dbraw/zinc/55/72/85/1115557285.db2.gz JNRJHGLBAWJZGM-JYFOCSDGSA-N 0 0 352.455 4.487 50 30 FIEARN COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC(=C(C)C)C3=O ZINC000217638345 222673395 /nfs/dbraw/zinc/67/33/95/222673395.db2.gz IHCHGNVDCGLIDK-AWEZNQCLSA-N 0 0 350.370 4.005 50 30 biogenic FIEARN COc1ccc(C(=O)c2cc(C#N)c3c4ccccc4ccn23)cc1OC ZINC000000629173 219306558 /nfs/dbraw/zinc/30/65/58/219306558.db2.gz CTECLKKOUDNLQC-UHFFFAOYSA-N 0 0 356.381 4.212 50 30 FIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)OC(C)(C)C)n2)cc1 ZINC000000662093 219310462 /nfs/dbraw/zinc/31/04/62/219310462.db2.gz GMCKMPIVYLGFDT-UHFFFAOYSA-N 0 0 356.447 4.063 50 30 FIEARN C=CCn1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c2ccccc21 ZINC000000669582 219311604 /nfs/dbraw/zinc/31/16/04/219311604.db2.gz AMFLSXPIMNHFRH-UHFFFAOYSA-N 0 0 359.381 4.010 50 30 FIEARN C=CCn1c(C)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 ZINC000000977288 219348958 /nfs/dbraw/zinc/34/89/58/219348958.db2.gz SMXADHJFXXLOLN-UHFFFAOYSA-N 0 0 365.429 4.280 50 30 FIEARN C=CCN(CC=C)C(=S)Oc1cccc(C(=O)Nc2ccccc2)c1 ZINC000001051898 219359389 /nfs/dbraw/zinc/35/93/89/219359389.db2.gz MOWBDDNREQRBEZ-UHFFFAOYSA-N 0 0 352.459 4.277 50 30 FIEARN N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000001077018 219365076 /nfs/dbraw/zinc/36/50/76/219365076.db2.gz MBGCVSQIIRJGLD-UHFFFAOYSA-N 0 0 369.453 4.493 50 30 FIEARN C=CCc1cccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=O)oc21 ZINC000001191079 219386985 /nfs/dbraw/zinc/38/69/85/219386985.db2.gz CJLJHJKURUDGRT-UHFFFAOYSA-N 0 0 369.804 4.436 50 30 FIEARN Cc1nc(C(F)(F)F)nc(Nc2ccc(Br)cc2)c1C#N ZINC000001204709 219388279 /nfs/dbraw/zinc/38/82/79/219388279.db2.gz YJKZDDZHZRBDKZ-UHFFFAOYSA-N 0 0 357.133 4.182 50 30 FIEARN O=C(c1ccccc1)C1=C(Cc2ccccc2)C(=O)c2ccccc2C1=O ZINC000001226292 219391339 /nfs/dbraw/zinc/39/13/39/219391339.db2.gz AYKJYFHMPHESNI-UHFFFAOYSA-N 0 0 352.389 4.488 50 30 FIEARN O=C1C=C(c2cccs2)C[C@@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 ZINC000001211387 219389814 /nfs/dbraw/zinc/38/98/14/219389814.db2.gz VFZRDMUFNQTSBQ-SJCJKPOMSA-N 0 0 371.443 4.296 50 30 FIEARN C=CCNc1ncnc2c1sc1nc(CC)c3c(c12)CC(C)(C)OC3 ZINC000002283384 219436427 /nfs/dbraw/zinc/43/64/27/219436427.db2.gz MCDCMVRTTMRBAJ-UHFFFAOYSA-N 0 0 354.479 4.251 50 30 FIEARN N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000002639923 219453662 /nfs/dbraw/zinc/45/36/62/219453662.db2.gz YMZDBQHIIKLIGV-NRFANRHFSA-N 0 0 369.424 4.058 50 30 FIEARN CC(NC(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003188757 219491519 /nfs/dbraw/zinc/49/15/19/219491519.db2.gz NKNHPLFTPHGTAU-UHFFFAOYSA-N 0 0 352.637 4.484 50 30 FIEARN N#Cc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003380381 219505596 /nfs/dbraw/zinc/50/55/96/219505596.db2.gz GFHWIYPIAOETPM-UHFFFAOYSA-N 0 0 372.380 4.146 50 30 FIEARN CCOc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000003911124 219531060 /nfs/dbraw/zinc/53/10/60/219531060.db2.gz ILGYOIOHGGNQLD-CSKARUKUSA-N 0 0 350.370 4.096 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000003883272 219527208 /nfs/dbraw/zinc/52/72/08/219527208.db2.gz AEZUZXYVWGQRLK-CTNGQTDRSA-N 0 0 350.414 4.015 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1 ZINC000003883270 219527727 /nfs/dbraw/zinc/52/77/27/219527727.db2.gz AEZUZXYVWGQRLK-FPOVZHCZSA-N 0 0 350.414 4.015 50 30 FIEARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1C#N ZINC000004264718 219559305 /nfs/dbraw/zinc/55/93/05/219559305.db2.gz QNAMBWLXTGYOHV-UHFFFAOYSA-N 0 0 364.474 4.295 50 30 FIEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000004321081 219565887 /nfs/dbraw/zinc/56/58/87/219565887.db2.gz HJBVBDLKOMSKEZ-QHCPKHFHSA-N 0 0 363.457 4.112 50 30 FIEARN C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000004385981 219571836 /nfs/dbraw/zinc/57/18/36/219571836.db2.gz SADPRRIEFPCQNX-INIZCTEOSA-N 0 0 365.864 4.240 50 30 FIEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(I)cc1 ZINC000004458680 219576044 /nfs/dbraw/zinc/57/60/44/219576044.db2.gz RIUSLDUDXSSUID-XCVCLJGOSA-N 0 0 352.146 4.326 50 30 FIEARN CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000004708767 219599803 /nfs/dbraw/zinc/59/98/03/219599803.db2.gz AEDZHHLPXAQOEQ-UHFFFAOYSA-N 0 0 368.506 4.147 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1C ZINC000004919259 219624115 /nfs/dbraw/zinc/62/41/15/219624115.db2.gz VICFHKBVNXWMKS-IFMALSPDSA-N 0 0 364.441 4.323 50 30 FIEARN N#Cc1cc2c(nc1SC[C@@H](O)CSCc1ccccc1)CCCC2 ZINC000005424326 219677052 /nfs/dbraw/zinc/67/70/52/219677052.db2.gz RXGFUJWAZDRWCG-SFHVURJKSA-N 0 0 370.543 4.218 50 30 FIEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000006819794 219773889 /nfs/dbraw/zinc/77/38/89/219773889.db2.gz DBWRHXJXPLJKCI-IUODEOHRSA-N 0 0 369.823 4.483 50 30 FIEARN C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1cccs1 ZINC000007966310 219835211 /nfs/dbraw/zinc/83/52/11/219835211.db2.gz MJQLNFJNHHHFJN-XVEDWSDESA-N 0 0 369.515 4.119 50 30 FIEARN CCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCC)n1 ZINC000008443786 219862575 /nfs/dbraw/zinc/86/25/75/219862575.db2.gz XNNKXRUWVPQHEJ-UHFFFAOYSA-N 0 0 361.530 4.482 50 30 FIEARN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000009109544 219874889 /nfs/dbraw/zinc/87/48/89/219874889.db2.gz KMHZNNHFQPXVGB-IIBYNOLFSA-N 0 0 374.444 4.410 50 30 FIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c2c(c1)OCCCO2 ZINC000009218931 219876404 /nfs/dbraw/zinc/87/64/04/219876404.db2.gz FWPZHLHRSKMCJN-LJQANCHMSA-N 0 0 370.836 4.254 50 30 FIEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000008990630 219873070 /nfs/dbraw/zinc/87/30/70/219873070.db2.gz RUUSKUZWICBVCF-IUXPMGMMSA-N 0 0 373.202 4.033 50 30 biogenic FIEARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000010109508 219891639 /nfs/dbraw/zinc/89/16/39/219891639.db2.gz ZWBJTWKLPAQFCU-UHFFFAOYSA-N 0 0 365.433 4.097 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cncc(Br)c1 ZINC000012511612 220001419 /nfs/dbraw/zinc/00/14/19/220001419.db2.gz WZUHUXBSVHVWKK-MFOYZWKCSA-N 0 0 357.251 4.338 50 30 FIEARN Cc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1[N+](=O)[O-] ZINC000012621443 220014776 /nfs/dbraw/zinc/01/47/76/220014776.db2.gz ZZMQYZGKRJPLQO-UHFFFAOYSA-N 0 0 364.386 4.151 50 30 FIEARN N#Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 ZINC000012766694 220026963 /nfs/dbraw/zinc/02/69/63/220026963.db2.gz YZTYLAHHFZWLCL-UHFFFAOYSA-N 0 0 354.369 4.256 50 30 FIEARN N#Cc1ccc(COc2cccc(-c3nnc4n3CCCCC4)c2)c(F)c1 ZINC000012750538 220024787 /nfs/dbraw/zinc/02/47/87/220024787.db2.gz NLAVVWWNBVAMOD-UHFFFAOYSA-N 0 0 362.408 4.261 50 30 FIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012781586 220029445 /nfs/dbraw/zinc/02/94/45/220029445.db2.gz KBJJYXJQCLRKFW-JTQLQIEISA-N 0 0 366.751 4.219 50 30 FIEARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(C#N)cc1 ZINC000012792702 220030510 /nfs/dbraw/zinc/03/05/10/220030510.db2.gz FGSJOQHFECDSCT-UHFFFAOYSA-N 0 0 373.441 4.304 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000012894665 220039899 /nfs/dbraw/zinc/03/98/99/220039899.db2.gz OGOLMCGKOJAPQV-LBPRGKRZSA-N 0 0 353.809 4.395 50 30 FIEARN Cc1cc(F)ccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012981836 220048840 /nfs/dbraw/zinc/04/88/40/220048840.db2.gz ICLZPVREBQBZET-UHFFFAOYSA-N 0 0 357.454 4.387 50 30 FIEARN Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013122302 220058253 /nfs/dbraw/zinc/05/82/53/220058253.db2.gz QHXQDXOZJMKXER-GOSISDBHSA-N 0 0 351.450 4.250 50 30 FIEARN O=S(=O)(N/C(=N\c1ccc(F)cc1F)c1ccccc1)c1ccccc1 ZINC000013122863 220058293 /nfs/dbraw/zinc/05/82/93/220058293.db2.gz LNRLYLOKSQTKBM-UHFFFAOYSA-N 0 0 372.396 4.022 50 30 FIEARN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OCC)c1 ZINC000013476971 220069335 /nfs/dbraw/zinc/06/93/35/220069335.db2.gz FUIPKENMFFOOOL-LDADJPATSA-N 0 0 368.458 4.376 50 30 FIEARN COc1ccc(C)cc1NC(=S)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000013519221 220070544 /nfs/dbraw/zinc/07/05/44/220070544.db2.gz FBWZSXFTIGVJNG-ZDUSSCGKSA-N 0 0 360.479 4.480 50 30 FIEARN CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000013522773 220071258 /nfs/dbraw/zinc/07/12/58/220071258.db2.gz DRGNTWYQJADYTL-LJQANCHMSA-N 0 0 352.507 4.128 50 30 FIEARN C/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 ZINC000013633747 220080387 /nfs/dbraw/zinc/08/03/87/220080387.db2.gz LCMHFTXIMNPZRO-UCQKPKSFSA-N 0 0 367.474 4.186 50 30 FIEARN C=C(C)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O ZINC000013732250 220091105 /nfs/dbraw/zinc/09/11/05/220091105.db2.gz HZQWJMCHVCZSQY-UHFFFAOYSA-N 0 0 363.442 4.331 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)CN(Cc1ccco1)CO3 ZINC000013736603 220092010 /nfs/dbraw/zinc/09/20/10/220092010.db2.gz WUDYWOCHQSLMMT-JAIQZWGSSA-N 0 0 359.381 4.248 50 30 FIEARN N#Cc1c(COC(=O)/C=C/c2c(F)cccc2Cl)cn2ccccc12 ZINC000014854199 220133829 /nfs/dbraw/zinc/13/38/29/220133829.db2.gz YJKFADGLEHXFCA-BQYQJAHWSA-N 0 0 354.768 4.360 50 30 FIEARN C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N\c1nnc(CC)s1 ZINC000016770010 220193957 /nfs/dbraw/zinc/19/39/57/220193957.db2.gz AGYFFGPCJRSDII-DFQGMUSMSA-N 0 0 374.466 4.030 50 30 FIEARN O=C(C(=NNc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1ccccc1 ZINC000016790446 220194147 /nfs/dbraw/zinc/19/41/47/220194147.db2.gz DQFXRDITGGVGHD-LPYMAVHISA-N 0 0 354.715 4.122 50 30 FIEARN CC1=C(NC(=O)C2(c3ccccc3)CCCC2)C(=O)[C@H](c2ccccc2)N1C ZINC000017076653 220204799 /nfs/dbraw/zinc/20/47/99/220204799.db2.gz ZJSMTWHZOXSARN-NRFANRHFSA-N 0 0 374.484 4.102 50 30 FIEARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000017749824 220218084 /nfs/dbraw/zinc/21/80/84/220218084.db2.gz KXDPQLAUQUNGIF-GFCCVEGCSA-N 0 0 366.421 4.207 50 30 FIEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc1 ZINC000018197147 220227813 /nfs/dbraw/zinc/22/78/13/220227813.db2.gz AMQPTTPKCKUMLJ-NRFANRHFSA-N 0 0 365.429 4.277 50 30 FIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(O)c1)OCO3 ZINC000018197453 220228053 /nfs/dbraw/zinc/22/80/53/220228053.db2.gz HTAAFWRLKUPWHC-FQEVSTJZSA-N 0 0 363.413 4.322 50 30 FIEARN Cc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200786 220228148 /nfs/dbraw/zinc/22/81/48/220228148.db2.gz CFXVDCWPURRYCX-QLJPJBMISA-N 0 0 367.430 4.036 50 30 FIEARN N#Cc1c(N)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1ccccc1 ZINC000019117329 220235795 /nfs/dbraw/zinc/23/57/95/220235795.db2.gz ILFPDFLKWHEXDA-UHFFFAOYSA-N 0 0 370.437 4.230 50 30 FIEARN C=CCSc1nnc2c3ccccc3n(C(=O)c3cccs3)c2n1 ZINC000019797024 220299008 /nfs/dbraw/zinc/29/90/08/220299008.db2.gz FQRKBWDCUNSNSO-UHFFFAOYSA-N 0 0 352.444 4.008 50 30 FIEARN O=C(CN1CCc2ccccc2C1)Nc1nnc(C2CCCCC2)s1 ZINC000020019009 220308005 /nfs/dbraw/zinc/30/80/05/220308005.db2.gz JANRZFNAYPMXJW-UHFFFAOYSA-N 0 0 356.495 4.232 50 30 FIEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 ZINC000020533286 220330853 /nfs/dbraw/zinc/33/08/53/220330853.db2.gz CKHSZRZJPOCIOT-PXNMLYILSA-N 0 0 364.228 4.377 50 30 FIEARN CCc1c2c(N)c(C(=O)c3cc(C)c(C)cc3C)sc2nc(N)c1C#N ZINC000021630081 220361330 /nfs/dbraw/zinc/36/13/30/220361330.db2.gz WJTWCZOALUBZEW-UHFFFAOYSA-N 0 0 364.474 4.051 50 30 FIEARN COc1ccc2c(c1)/C(=N\OC(=O)c1cc(Cl)ccc1OC)CCC2 ZINC000022147564 220378165 /nfs/dbraw/zinc/37/81/65/220378165.db2.gz VNKREBPGGMWQTI-FXBPSFAMSA-N 0 0 359.809 4.255 50 30 FIEARN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000022615223 220392058 /nfs/dbraw/zinc/39/20/58/220392058.db2.gz ZUVICBFCSJKIHP-UHFFFAOYSA-N 0 0 354.715 4.405 50 30 FIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)c1 ZINC000022625646 220392743 /nfs/dbraw/zinc/39/27/43/220392743.db2.gz LYGPTKJACHUGLY-MOSHPQCFSA-N 0 0 365.429 4.003 50 30 biogenic FIEARN CCCOc1cc(/C=C2\COc3ccc(OC)cc3C2=O)ccc1OC ZINC000022958242 220405793 /nfs/dbraw/zinc/40/57/93/220405793.db2.gz BPTXTKYWDBUROE-XNTDXEJSSA-N 0 0 354.402 4.151 50 30 FIEARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000025103970 220475102 /nfs/dbraw/zinc/47/51/02/220475102.db2.gz SZFDOZWHIRWWQX-UHFFFAOYSA-N 0 0 369.490 4.185 50 30 FIEARN C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 ZINC000027987472 220555228 /nfs/dbraw/zinc/55/52/28/220555228.db2.gz PFYOUTYVXRPIQD-UHFFFAOYSA-N 0 0 355.394 4.161 50 30 FIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCc2ccccn2)c1 ZINC000048367734 221011583 /nfs/dbraw/zinc/01/15/83/221011583.db2.gz CLLNPXBDESQORH-JOCHJYFZSA-N 0 0 371.440 4.413 50 30 FIEARN N#Cc1cccnc1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000057148758 221083642 /nfs/dbraw/zinc/08/36/42/221083642.db2.gz MQCXTBPJHUDMEU-UHFFFAOYSA-N 0 0 362.260 4.420 50 30 FIEARN C=CCC1(CC=C)CCCCN1C(=O)c1cnc2ccc(OC)cc2c1O ZINC000063848684 221143883 /nfs/dbraw/zinc/14/38/83/221143883.db2.gz SYPGIUQPANAOGU-UHFFFAOYSA-N 0 0 366.461 4.054 50 30 FIEARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2cccc(C#N)c2)n1 ZINC000065114390 221170004 /nfs/dbraw/zinc/17/00/04/221170004.db2.gz CCFOTZNFNFVVOD-UHFFFAOYSA-N 0 0 371.444 4.180 50 30 FIEARN COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000065171131 221174233 /nfs/dbraw/zinc/17/42/33/221174233.db2.gz RQENSGWWIYXKPU-UHFFFAOYSA-N 0 0 371.440 4.176 50 30 FIEARN COc1ccc(-c2nc(Cc3noc(-c4ccc(C#N)cc4)n3)c(C)o2)cc1 ZINC000065247399 221187425 /nfs/dbraw/zinc/18/74/25/221187425.db2.gz JFUGVHSMLWUAKY-UHFFFAOYSA-N 0 0 372.384 4.171 50 30 FIEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cc(C)[nH]n2)cn1 ZINC000067713981 221275502 /nfs/dbraw/zinc/27/55/02/221275502.db2.gz XHYNUEDHVZKCTQ-QGZVFWFLSA-N 0 0 372.476 4.435 50 30 FIEARN CC(C)c1ncc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)cn1 ZINC000071498870 221350550 /nfs/dbraw/zinc/35/05/50/221350550.db2.gz NGRHVNXBBOSAJQ-UHFFFAOYSA-N 0 0 369.350 4.200 50 30 FIEARN C=C(C)CN(CC(=C)C)c1nc(Cl)nc(N(CC(=C)C)CC(=C)C)n1 ZINC000071766944 221372929 /nfs/dbraw/zinc/37/29/29/221372929.db2.gz RABSGVZPVOGJAF-UHFFFAOYSA-N 0 0 361.921 4.442 50 30 FIEARN C(=N/N1CCN(c2ccccn2)CC1)\c1cccc(Oc2ccccc2)c1 ZINC000100575784 132233078 /nfs/dbraw/zinc/23/30/78/132233078.db2.gz MSVHRGQKHWUQIK-HKOYGPOVSA-N 0 0 358.445 4.030 50 30 FIEARN C=CCSc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000024104240 132374102 /nfs/dbraw/zinc/37/41/02/132374102.db2.gz DXUFWYXGASRQCE-UHFFFAOYSA-N 0 0 365.458 4.086 50 30 FIEARN O=C1c2cccc(F)c2SC/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000013433624 132377670 /nfs/dbraw/zinc/37/76/70/132377670.db2.gz LFVOMKQDLWBINU-NTCAYCPXSA-N 0 0 355.434 4.034 50 30 FIEARN N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1-c1cccnc1 ZINC000071479407 136139540 /nfs/dbraw/zinc/13/95/40/136139540.db2.gz FEYFPIIBHYXPDG-UHFFFAOYSA-N 0 0 355.445 4.255 50 30 FIEARN CCn1c(-c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc2ccccc21 ZINC000075558554 221587070 /nfs/dbraw/zinc/58/70/70/221587070.db2.gz TXCZWBFBFXSGFI-UHFFFAOYSA-N 0 0 355.401 4.175 50 30 FIEARN CCc1cc(C#N)ccc1NC(=O)N(C)[C@@H](C)c1ccc(OC)cc1OC ZINC000095500478 221926350 /nfs/dbraw/zinc/92/63/50/221926350.db2.gz NBVOAWRRCAMINF-AWEZNQCLSA-N 0 0 367.449 4.363 50 30 FIEARN CC(C)CNC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000096306354 222113078 /nfs/dbraw/zinc/11/30/78/222113078.db2.gz NSWFSSFHBPQYBP-UHFFFAOYSA-N 0 0 359.882 4.138 50 30 FIEARN C#CCOc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000096297671 222113668 /nfs/dbraw/zinc/11/36/68/222113668.db2.gz LMSMUQWMZSFBED-YFHOEESVSA-N 0 0 366.413 4.011 50 30 FIEARN CCc1ccc(Cn2nccc2NC(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000096912064 222138841 /nfs/dbraw/zinc/13/88/41/222138841.db2.gz UDTITBXLIMEHAR-QXMHVHEDSA-N 0 0 356.429 4.017 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccc(F)c1 ZINC000097105001 222160253 /nfs/dbraw/zinc/16/02/53/222160253.db2.gz WRIMBNAMJHSDDG-UYAOXDASSA-N 0 0 356.368 4.284 50 30 FIEARN CCOc1ccc(/N=C2/S/C(=C\c3ccccc3O)C(=O)N2CC)cc1 ZINC000097464903 222181546 /nfs/dbraw/zinc/18/15/46/222181546.db2.gz MHBVTNVIUJLDAD-RORWIDQYSA-N 0 0 368.458 4.415 50 30 FIEARN CCCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(OC)cc1 ZINC000097466971 222183775 /nfs/dbraw/zinc/18/37/75/222183775.db2.gz QPXUKIYVZSPLST-RORWIDQYSA-N 0 0 368.458 4.415 50 30 FIEARN CCOC(=O)c1c(-c2ccccc2)csc1NC=C1C(=O)CCCC1=O ZINC000100289288 222240402 /nfs/dbraw/zinc/24/04/02/222240402.db2.gz LXODTGGVQOMFPC-SRZZPIQSSA-N 0 0 369.442 4.232 50 30 FIEARN Cn1c2c(cc(Cl)cc2Cl)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100908730 222256414 /nfs/dbraw/zinc/25/64/14/222256414.db2.gz SMIGRITXZDQJIM-SILNSSARSA-N 0 0 362.241 4.159 50 30 FIEARN CN(NC1=CC(=O)C[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1 ZINC000100946623 222257406 /nfs/dbraw/zinc/25/74/06/222257406.db2.gz CPRSANMVLSEPGD-AWEZNQCLSA-N 0 0 361.367 4.072 50 30 FIEARN C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CCCC1=N2 ZINC000101324179 222270084 /nfs/dbraw/zinc/27/00/84/222270084.db2.gz ZVZCATIMXHVREJ-QGZVFWFLSA-N 0 0 368.462 4.236 50 30 FIEARN CCCCCCCNC(=O)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000102843126 222310042 /nfs/dbraw/zinc/31/00/42/222310042.db2.gz AATSHBIUIJDXBK-UHFFFAOYSA-N 0 0 366.509 4.444 50 30 FIEARN N#C[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)N1Cc1ccccc1 ZINC000001120817 263142761 /nfs/dbraw/zinc/14/27/61/263142761.db2.gz MOWCTZRQNKKJKN-XMMPIXPASA-N 0 0 368.436 4.417 50 30 FIEARN CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(OC)c(OC)c2)cc1 ZINC000004651799 263334847 /nfs/dbraw/zinc/33/48/47/263334847.db2.gz YGDFPAZKBLGAQG-PXLXIMEGSA-N 0 0 371.433 4.464 50 30 FIEARN CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)CCCCC2 ZINC000004620414 263335273 /nfs/dbraw/zinc/33/52/73/263335273.db2.gz ITESFUWMFKFOBF-UHFFFAOYSA-N 0 0 372.412 4.286 50 30 FIEARN N#Cc1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000007395492 263351540 /nfs/dbraw/zinc/35/15/40/263351540.db2.gz MYEIIQGYGSKTJR-UHFFFAOYSA-N 0 0 356.381 4.168 50 30 FIEARN Cc1cc(Cl)c(C)c(S(=O)(=O)Oc2ccccc2C#N)c1Cl ZINC000020822683 263382800 /nfs/dbraw/zinc/38/28/00/263382800.db2.gz AWKYBUKZADIIID-UHFFFAOYSA-N 0 0 356.230 4.250 50 30 FIEARN Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2cccc(Cl)c2)o1 ZINC000030852009 263391089 /nfs/dbraw/zinc/39/10/89/263391089.db2.gz QZVDQSSWEKEKES-HJWRWDBZSA-N 0 0 356.809 4.450 50 30 FIEARN C#CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000058279301 518253636 /nfs/dbraw/zinc/25/36/36/518253636.db2.gz GAWUDWUMTQKKFY-IBGZPJMESA-N 0 0 360.461 4.269 50 30 FIEARN C=CCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000060365140 518695930 /nfs/dbraw/zinc/69/59/30/518695930.db2.gz FJSDJMTXSVNZCU-CQSZACIVSA-N 0 0 374.872 4.258 50 30 FIEARN C=CCN(Cc1ccccn1)C(=O)CCC(=O)Nc1ccccc1C(C)C ZINC000055343945 518788276 /nfs/dbraw/zinc/78/82/76/518788276.db2.gz MHOKZSAPNFDGIJ-UHFFFAOYSA-N 0 0 365.477 4.139 50 30 FIEARN C=CCNC(=O)N(Cc1cccnc1)c1ccc(Oc2ccc(C)cc2)nc1 ZINC000034898404 518903232 /nfs/dbraw/zinc/90/32/32/518903232.db2.gz NUGNQBYJUYWBNN-UHFFFAOYSA-N 0 0 374.444 4.480 50 30 FIEARN C=CCNC(=O)N(Cc1ccccn1)c1ccc(Oc2ccc(C)cc2)nc1 ZINC000034898402 518903560 /nfs/dbraw/zinc/90/35/60/518903560.db2.gz UTIAYQHWXUBONN-UHFFFAOYSA-N 0 0 374.444 4.480 50 30 FIEARN CC(C)(C)c1cc(NC(=O)CNc2ccccc2SCCC#N)on1 ZINC000108352316 519001077 /nfs/dbraw/zinc/00/10/77/519001077.db2.gz BJXZGMGYZNJGAV-UHFFFAOYSA-N 0 0 358.467 4.028 50 30 FIEARN C=CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000003399738 519086791 /nfs/dbraw/zinc/08/67/91/519086791.db2.gz WDPIKAWSEFVLRA-UHFFFAOYSA-N 0 0 360.291 4.304 50 30 FIEARN C=CCc1ccccc1OCCOc1ccc(C=O)cc1Br ZINC000002866743 519145677 /nfs/dbraw/zinc/14/56/77/519145677.db2.gz SKXYVEWRAGXFHQ-UHFFFAOYSA-N 0 0 361.235 4.448 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 ZINC000014082157 519223526 /nfs/dbraw/zinc/22/35/26/519223526.db2.gz XMZWVAYZLWQMIA-UHFFFAOYSA-N 0 0 364.474 4.170 50 30 FIEARN C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccoc1C ZINC000006911404 519240740 /nfs/dbraw/zinc/24/07/40/519240740.db2.gz WJNPWQHYLTYGSW-UHFFFAOYSA-N 0 0 359.426 4.473 50 30 FIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(F)cc1 ZINC000004345954 519244338 /nfs/dbraw/zinc/24/43/38/519244338.db2.gz CDICLVBMXIQLJE-UHFFFAOYSA-N 0 0 350.422 4.434 50 30 FIEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccccc1C#N ZINC000005619040 519268859 /nfs/dbraw/zinc/26/88/59/519268859.db2.gz NMBNIKXTGABCEE-CQSZACIVSA-N 0 0 362.458 4.213 50 30 FIEARN CCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000001780583 520322898 /nfs/dbraw/zinc/32/28/98/520322898.db2.gz RMSSEGWYXLAXAX-FYJGNVAPSA-N 0 0 352.463 4.241 50 30 FIEARN CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000032915312 520904004 /nfs/dbraw/zinc/90/40/04/520904004.db2.gz ZJHIDGCASOINDH-RMKNXTFCSA-N 0 0 374.820 4.056 50 30 FIEARN CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O ZINC000009419008 521447845 /nfs/dbraw/zinc/44/78/45/521447845.db2.gz QQYQRZXFVWNNNC-ODLFYWEKSA-N 0 0 350.370 4.017 50 30 FIEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533523 521647598 /nfs/dbraw/zinc/64/75/98/521647598.db2.gz OPLWLUOMYOOVGN-UNOMPAQXSA-N 0 0 352.434 4.025 50 30 FIEARN CCSc1nncn1/N=C/c1ccc(COc2ccccc2Cl)o1 ZINC000036611447 521799100 /nfs/dbraw/zinc/79/91/00/521799100.db2.gz OZWZVFYAFBKYOJ-DJKKODMXSA-N 0 0 362.842 4.098 50 30 FIEARN COc1cc(/C=C/C(=O)c2ccccc2-n2cccn2)cc(Cl)c1O ZINC000060085845 521940732 /nfs/dbraw/zinc/94/07/32/521940732.db2.gz WLQQRFVTVRDNIH-BQYQJAHWSA-N 0 0 354.793 4.136 50 30 FIEARN COc1cc(/C=C\C(=O)c2ccc(N3CCCC3)c(F)c2)cc(OC)c1O ZINC000096765774 521982919 /nfs/dbraw/zinc/98/29/19/521982919.db2.gz TYMPNXPBLMVIHX-YVMONPNESA-N 0 0 371.408 4.045 50 30 FIEARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 ZINC000004499396 522429031 /nfs/dbraw/zinc/42/90/31/522429031.db2.gz PUYPTMNOBVXRLQ-PTZPRWATSA-N 0 0 364.449 4.132 50 30 FIEARN COc1ccc(C(=O)/C=C\c2cc(Br)cs2)cc1OC ZINC000096766939 523545286 /nfs/dbraw/zinc/54/52/86/523545286.db2.gz FMGYUNJULISEML-PLNGDYQASA-N 0 0 353.237 4.424 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(F)cc1F ZINC000018095894 524034597 /nfs/dbraw/zinc/03/45/97/524034597.db2.gz CFXDWHGRRYKCQU-ODLFYWEKSA-N 0 0 371.383 4.002 50 30 FIEARN Cc1cc(C)nc(N=C(NC(=O)NC2CCCCC2)Nc2ccccc2)n1 ZINC000018057411 524578426 /nfs/dbraw/zinc/57/84/26/524578426.db2.gz ZBFOWCXVMAECIL-UHFFFAOYSA-N 0 0 366.469 4.016 50 30 FIEARN COc1ccccc1Oc1ccccc1NC(=O)N1CCC[C@H](C#N)C1 ZINC000299802447 524696644 /nfs/dbraw/zinc/69/66/44/524696644.db2.gz WQGWPTRDPWUUQS-OAHLLOKOSA-N 0 0 351.406 4.255 50 30 FIEARN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000328596702 524850952 /nfs/dbraw/zinc/85/09/52/524850952.db2.gz QNOGLBVBKYQIQD-UHFFFAOYSA-N 0 0 350.718 4.122 50 30 FIEARN Cc1ccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021107735 524932258 /nfs/dbraw/zinc/93/22/58/524932258.db2.gz NDVZDRNXAZOHDJ-NRFANRHFSA-N 0 0 354.413 4.227 50 30 FIEARN COc1ccc(OCc2ccc(/C=C/C(=O)c3c(C)nn(C)c3C)o2)cc1 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CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)cc1 ZINC000046127062 570927150 /nfs/dbraw/zinc/92/71/50/570927150.db2.gz XJZJEHBNUIAKOA-UHFFFAOYSA-N 0 0 358.445 4.042 50 30 FIEARN CCc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2cccnc2)cc1 ZINC000046128788 570927623 /nfs/dbraw/zinc/92/76/23/570927623.db2.gz RISBSFYBMBZCHL-UHFFFAOYSA-N 0 0 372.472 4.351 50 30 FIEARN CC(C)c1ccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)cc1 ZINC000046130655 570928492 /nfs/dbraw/zinc/92/84/92/570928492.db2.gz SNSTZJJLWPRTSG-HXUWFJFHSA-N 0 0 365.477 4.187 50 30 FIEARN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000010815412 570938325 /nfs/dbraw/zinc/93/83/25/570938325.db2.gz APXOTRHOKKHFGJ-SFHVURJKSA-N 0 0 370.836 4.024 50 30 FIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000071770167 570957423 /nfs/dbraw/zinc/95/74/23/570957423.db2.gz JOIVCMKYTDBOIY-HEMSGXOPSA-N 0 0 356.506 4.491 50 30 FIEARN C=CCSc1nnc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)s1 ZINC000002703082 570968451 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FIEARN CC(C)=N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000001415499 571067968 /nfs/dbraw/zinc/06/79/68/571067968.db2.gz IRPINDZOPAIHPA-CZIZESTLSA-N 0 0 352.419 4.411 50 30 FIEARN C=CCN(Cc1ccco1)C(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000065397091 571073848 /nfs/dbraw/zinc/07/38/48/571073848.db2.gz LZALARZIXHNUAM-UHFFFAOYSA-N 0 0 352.434 4.237 50 30 FIEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000040089234 571074733 /nfs/dbraw/zinc/07/47/33/571074733.db2.gz RGFYLRVAEWOIPV-UHFFFAOYSA-N 0 0 369.833 4.353 50 30 FIEARN CCN(Cc1ccc(C#N)cc1F)C(=O)c1ccc(Br)cc1 ZINC000040108420 571078048 /nfs/dbraw/zinc/07/80/48/571078048.db2.gz AZTZUBUQQHIXSX-UHFFFAOYSA-N 0 0 361.214 4.122 50 30 FIEARN N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cc1 ZINC000040110698 571078900 /nfs/dbraw/zinc/07/89/00/571078900.db2.gz NUHVFYSGUUSYHH-UHFFFAOYSA-N 0 0 373.359 4.275 50 30 FIEARN Cc1cc(C)cc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000032985453 571083221 /nfs/dbraw/zinc/08/32/21/571083221.db2.gz NGCPZBDOQZOAIS-SFHVURJKSA-N 0 0 368.436 4.239 50 30 FIEARN COc1ccc(-n2ccn(CN(CC#N)Cc3ccccc3)c2=S)cc1 ZINC000040155487 571087252 /nfs/dbraw/zinc/08/72/52/571087252.db2.gz MFFAZBTWFAZWGF-UHFFFAOYSA-N 0 0 364.474 4.000 50 30 FIEARN C=CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000004870355 571102512 /nfs/dbraw/zinc/10/25/12/571102512.db2.gz ZDKUFJDFLFZOCB-UHFFFAOYSA-N 0 0 364.445 4.130 50 30 FIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)Nc1ccccc1-2 ZINC000006510921 571103716 /nfs/dbraw/zinc/10/37/16/571103716.db2.gz BPQWOJLDWBAGIU-QGZVFWFLSA-N 0 0 366.421 4.459 50 30 FIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 ZINC000007720277 571104676 /nfs/dbraw/zinc/10/46/76/571104676.db2.gz GHGMKFVVCOBCKX-UHFFFAOYSA-N 0 0 371.799 4.358 50 30 FIEARN N#Cc1c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cn2ccccc12 ZINC000069950479 571106095 /nfs/dbraw/zinc/10/60/95/571106095.db2.gz OZNKFVSIEVCNLT-FQEVSTJZSA-N 0 0 351.837 4.038 50 30 FIEARN Cc1nc(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)no1 ZINC000072312335 571106623 /nfs/dbraw/zinc/10/66/23/571106623.db2.gz PMJKVCDLQDAFSB-YVLHZVERSA-N 0 0 350.399 4.287 50 30 FIEARN CC(C)(C)C1CCC2(CC1)O[C@]2(C(N)=O)c1nc(-c2ccccc2)cs1 ZINC000009419813 571108452 /nfs/dbraw/zinc/10/84/52/571108452.db2.gz RNXJOVVLTAVHBK-KUTOWUBSSA-N 0 0 370.518 4.496 50 30 FIEARN CCc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 ZINC000013681752 571110757 /nfs/dbraw/zinc/11/07/57/571110757.db2.gz DHLMLHJIQPBGFA-JAIQZWGSSA-N 0 0 366.413 4.196 50 30 biogenic FIEARN N#Cc1c(CSc2nc3ccccc3c(=O)n2C2CC2)cn2ccccc12 ZINC000011124481 571110799 /nfs/dbraw/zinc/11/07/99/571110799.db2.gz YOAUIKCPJCRXRY-UHFFFAOYSA-N 0 0 372.453 4.148 50 30 FIEARN Cc1cccc(/N=C2\NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)n1 ZINC000001453125 571113911 /nfs/dbraw/zinc/11/39/11/571113911.db2.gz QMKLVHVBJIHFFL-ZDUSSCGKSA-N 0 0 366.273 4.159 50 30 FIEARN Cc1ccsc1/C=C1\Oc2cc(OCC(=O)OC(C)(C)C)ccc2C1=O ZINC000013778845 571114930 /nfs/dbraw/zinc/11/49/30/571114930.db2.gz BNIDIVGJOLENSI-YBEGLDIGSA-N 0 0 372.442 4.393 50 30 FIEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)SC1=S ZINC000001173917 571123582 /nfs/dbraw/zinc/12/35/82/571123582.db2.gz WHKUGZDEXAPPCA-YRNVUSSQSA-N 0 0 360.287 4.389 50 30 FIEARN C=CCn1c(C)cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c1C ZINC000010255913 571124468 /nfs/dbraw/zinc/12/44/68/571124468.db2.gz DKTSYYRWQBAVGZ-UHFFFAOYSA-N 0 0 370.478 4.200 50 30 FIEARN O=CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000058037800 571124502 /nfs/dbraw/zinc/12/45/02/571124502.db2.gz MBRLMJMDPRIZOS-UHFFFAOYSA-N 0 0 352.437 4.465 50 30 FIEARN C#CCSc1nc2c(c(=O)n1CC=C)C1(CCCC1)Cc1ccccc1-2 ZINC000002095545 571124655 /nfs/dbraw/zinc/12/46/55/571124655.db2.gz BOAPKFNIIOJHAK-UHFFFAOYSA-N 0 0 362.498 4.190 50 30 biogenic FIEARN O=[N+]([O-])c1ccc(N=NC2CCCCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000043761478 571133292 /nfs/dbraw/zinc/13/32/92/571133292.db2.gz LGFNABMVCHJENV-KNTRCKAVSA-N 0 0 354.366 4.436 50 30 FIEARN N#Cc1cc(NCCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1C#N ZINC000004629035 571133967 /nfs/dbraw/zinc/13/39/67/571133967.db2.gz YWSGDECWWYBFRC-UHFFFAOYSA-N 0 0 350.422 4.357 50 30 FIEARN CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000060108399 571136370 /nfs/dbraw/zinc/13/63/70/571136370.db2.gz LCGUERDOJQFKLV-JXMROGBWSA-N 0 0 356.418 4.397 50 30 FIEARN CCOc1ccc2c(c1)C(=O)C(=CNCCc1ccc(OC)cc1)S2 ZINC000104131895 571142912 /nfs/dbraw/zinc/14/29/12/571142912.db2.gz GIXSYKFEBYKXRE-UYRXBGFRSA-N 0 0 355.459 4.056 50 30 FIEARN CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1 ZINC000151927242 571148678 /nfs/dbraw/zinc/14/86/78/571148678.db2.gz XPAPIORZEFPYBS-UHFFFAOYSA-N 0 0 365.820 4.462 50 30 FIEARN C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000257357510 571163757 /nfs/dbraw/zinc/16/37/57/571163757.db2.gz OKHAOBQKCCIRLO-MZXGMOTRSA-N 0 0 354.490 4.171 50 30 FIEARN CC(=O)OC/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257358597 571163766 /nfs/dbraw/zinc/16/37/66/571163766.db2.gz VGCBLRRJSISBJV-ONVXHXKLSA-N 0 0 370.489 4.187 50 30 FIEARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000006286207 571170538 /nfs/dbraw/zinc/17/05/38/571170538.db2.gz BHZJTMZJDPAUFW-UHFFFAOYSA-N 0 0 371.396 4.071 50 30 FIEARN COc1ccc(OC)c(N=Cc2cc(Br)cc(C)c2O)c1 ZINC000252626653 571190023 /nfs/dbraw/zinc/19/00/23/571190023.db2.gz RCURJPAEUBLHSI-UHFFFAOYSA-N 0 0 350.212 4.231 50 30 FIEARN CC(CC(C)N=Nc1ccc([N+](=O)[O-])cc1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000670418703 571191317 /nfs/dbraw/zinc/19/13/17/571191317.db2.gz NAJRFRVESWJFGX-MGYAYREDSA-N 0 0 370.369 4.169 50 30 FIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000006516790 571206624 /nfs/dbraw/zinc/20/66/24/571206624.db2.gz PBNPZTCSZNRDQE-UHFFFAOYSA-N 0 0 364.474 4.219 50 30 FIEARN N#Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000006532457 571208042 /nfs/dbraw/zinc/20/80/42/571208042.db2.gz XOMAMTDYPRTSOL-UHFFFAOYSA-N 0 0 373.441 4.145 50 30 FIEARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)cc1 ZINC000002465565 571211118 /nfs/dbraw/zinc/21/11/18/571211118.db2.gz JKWBKXHLKIHMPX-UHFFFAOYSA-N 0 0 365.414 4.024 50 30 FIEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nn1cnc2ccccc21 ZINC000027044384 571214381 /nfs/dbraw/zinc/21/43/81/571214381.db2.gz OWQVKDFSSGKWDN-UHFFFAOYSA-N 0 0 370.437 4.443 50 30 FIEARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000004750088 571229884 /nfs/dbraw/zinc/22/98/84/571229884.db2.gz PZOFNWUCEWCCMZ-LLVKDONJSA-N 0 0 360.866 4.476 50 30 FIEARN Cn1cccc1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000004745799 571230675 /nfs/dbraw/zinc/23/06/75/571230675.db2.gz WKRKMGASVKWTJW-XYOKQWHBSA-N 0 0 352.246 4.224 50 30 FIEARN COc1ccc(-c2nc(COC(=O)c3ccc(C#N)cc3)cs2)cc1 ZINC000006638873 571237960 /nfs/dbraw/zinc/23/79/60/571237960.db2.gz UUCQRZVCNHHXBJ-UHFFFAOYSA-N 0 0 350.399 4.047 50 30 FIEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 ZINC000006898795 571253793 /nfs/dbraw/zinc/25/37/93/571253793.db2.gz FUXWXFPMKNGXOY-UHFFFAOYSA-N 0 0 360.438 4.456 50 30 FIEARN COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)c1OC ZINC000006923820 571254722 /nfs/dbraw/zinc/25/47/22/571254722.db2.gz GOESLOVELSXTLV-BOPFTXTBSA-N 0 0 368.458 4.212 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1C ZINC000170618150 571268490 /nfs/dbraw/zinc/26/84/90/571268490.db2.gz XYBGQJOSFVHKFD-DENIHFKCSA-N 0 0 364.441 4.323 50 30 FIEARN COc1ccc([C@@H]2CC(=O)c3cc(C#N)c4nc5ccccc5n4c3C2)cc1 ZINC000170624018 571269313 /nfs/dbraw/zinc/26/93/13/571269313.db2.gz VUFJTBMOVOTJQD-HNNXBMFYSA-N 0 0 367.408 4.280 50 30 FIEARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(CC#N)cc3)cs2)cc1 ZINC000010026682 571270116 /nfs/dbraw/zinc/27/01/16/571270116.db2.gz AIELJPYAXYBMAR-UHFFFAOYSA-N 0 0 363.442 4.349 50 30 FIEARN CC(C)(C#N)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000089620836 571272363 /nfs/dbraw/zinc/27/23/63/571272363.db2.gz UKWWJQBTWBCXBE-UHFFFAOYSA-N 0 0 355.143 4.423 50 30 FIEARN CCOc1ccc2ncc(C#N)c(NCc3ccc(OC)c(OC)c3)c2c1 ZINC000016841799 571273187 /nfs/dbraw/zinc/27/31/87/571273187.db2.gz IAXVEQAOXVGVQQ-UHFFFAOYSA-N 0 0 363.417 4.134 50 30 FIEARN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000170634130 571275107 /nfs/dbraw/zinc/27/51/07/571275107.db2.gz CSEDDNZDNZFDDF-MRXNPFEDSA-N 0 0 363.387 4.166 50 30 FIEARN COc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(F)cccc1Cl ZINC000006166196 571276583 /nfs/dbraw/zinc/27/65/83/571276583.db2.gz DUCRVTJLLPUYOG-DJKKODMXSA-N 0 0 362.817 4.291 50 30 FIEARN CC(=NNC(=S)Nc1cccc(C)c1C)c1cc2ccccc2oc1=O ZINC000252474896 571279628 /nfs/dbraw/zinc/27/96/28/571279628.db2.gz OCXTYZAUUFQWNB-UHFFFAOYSA-N 0 0 365.458 4.120 50 30 FIEARN N#Cc1c2c(sc1N=C1SCC(=O)N1c1ccccc1)CCCC2 ZINC000252517109 571281987 /nfs/dbraw/zinc/28/19/87/571281987.db2.gz ZTLLEWSRGSZZQR-UHFFFAOYSA-N 0 0 353.472 4.266 50 30 FIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(OC)cc1 ZINC000002198078 571283698 /nfs/dbraw/zinc/28/36/98/571283698.db2.gz AUJXMNWHWIFADL-QFBILLFUSA-N 0 0 356.443 4.076 50 30 FIEARN N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000007650976 571285350 /nfs/dbraw/zinc/28/53/50/571285350.db2.gz UPQCUBMVIZARRA-UHFFFAOYSA-N 0 0 363.486 4.030 50 30 FIEARN Cc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1I ZINC000252611001 571285726 /nfs/dbraw/zinc/28/57/26/571285726.db2.gz IFRCRBNRAYERLC-UHFFFAOYSA-N 0 0 372.187 4.320 50 30 FIEARN COc1ccc(N=C2S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2C)cc1 ZINC000252620268 571287491 /nfs/dbraw/zinc/28/74/91/571287491.db2.gz MAORBJNTYAZFIF-UDIJICLVSA-N 0 0 374.849 4.288 50 30 FIEARN O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2cccc3nsnc32)c1 ZINC000252621918 571288245 /nfs/dbraw/zinc/28/82/45/571288245.db2.gz NKCMLZZKHNRMDG-UHFFFAOYSA-N 0 0 350.359 4.209 50 30 FIEARN CCc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1 ZINC000252622833 571288304 /nfs/dbraw/zinc/28/83/04/571288304.db2.gz ODSRQKSHWIFJEV-YAEVEYJCSA-N 0 0 366.486 4.499 50 30 FIEARN N#CCOc1ccc(Br)cc1C=NNc1ccccc1Cl ZINC000252627440 571289146 /nfs/dbraw/zinc/28/91/46/571289146.db2.gz RUCRPEGCQSNBGP-UHFFFAOYSA-N 0 0 364.630 4.451 50 30 FIEARN Cc1cc2c(cc1O)CCCC2=NOC(=O)c1cccc(Br)c1 ZINC000252631793 571289969 /nfs/dbraw/zinc/28/99/69/571289969.db2.gz VMIWJIXJLIJOEN-UHFFFAOYSA-N 0 0 374.234 4.361 50 30 FIEARN CC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000002322388 571318077 /nfs/dbraw/zinc/31/80/77/571318077.db2.gz OXASPXZINCQJBR-SGKKMGNFSA-N 0 0 361.467 4.131 50 30 FIEARN CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000002328511 571318136 /nfs/dbraw/zinc/31/81/36/571318136.db2.gz OQAVORJZMXZSSV-KVBLSVFTSA-N 0 0 357.504 4.382 50 30 FIEARN CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000002343691 571318258 /nfs/dbraw/zinc/31/82/58/571318258.db2.gz YCPKIVUMIJASHD-RZBVUNJESA-N 0 0 359.426 4.053 50 30 FIEARN N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000002375706 571319918 /nfs/dbraw/zinc/31/99/18/571319918.db2.gz FSXRLYJPMLXUQK-UHFFFAOYSA-N 0 0 362.414 4.343 50 30 FIEARN C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 ZINC000002371918 571320022 /nfs/dbraw/zinc/32/00/22/571320022.db2.gz HIPKNAKGERIMPQ-GOSISDBHSA-N 0 0 364.536 4.388 50 30 FIEARN C=CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012419214 571322441 /nfs/dbraw/zinc/32/24/41/571322441.db2.gz YAYFDLROOCIMDS-UHFFFAOYSA-N 0 0 368.458 4.389 50 30 FIEARN COc1cc(O)cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000328591553 571323539 /nfs/dbraw/zinc/32/35/39/571323539.db2.gz GJVNXLGYYSDWGB-UHFFFAOYSA-N 0 0 367.405 4.047 50 30 FIEARN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1c[nH]c2cccnc21 ZINC000328594613 571323729 /nfs/dbraw/zinc/32/37/29/571323729.db2.gz YYLHMFOJFAPJHD-UHFFFAOYSA-N 0 0 362.364 4.312 50 30 FIEARN O=C(/C=C\c1ccccc1OC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000096401883 571335809 /nfs/dbraw/zinc/33/58/09/571335809.db2.gz NWPSSEMACJZZPG-HJWRWDBZSA-N 0 0 359.328 4.141 50 30 FIEARN CCCc1ccc(C#N)c(SCC(=O)Nc2cccc3ncccc32)n1 ZINC000215674230 571339392 /nfs/dbraw/zinc/33/93/92/571339392.db2.gz XBTMEYLBAUNRSH-UHFFFAOYSA-N 0 0 362.458 4.185 50 30 FIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1ccc(C#N)cc1 ZINC000003260119 571346280 /nfs/dbraw/zinc/34/62/80/571346280.db2.gz 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ZINC000002820959 1084816932 /nfs/dbraw/zinc/81/69/32/1084816932.db2.gz MYIFOZUJECYZMS-DHDCSXOGSA-N 0 0 367.188 4.415 50 30 FIEARN N#C[C@H]1C(=S)NC2=C([C@H]1c1ccc(Cl)cc1Cl)N1CCC2CC1 ZINC000005762771 1086311883 /nfs/dbraw/zinc/31/18/83/1086311883.db2.gz HLDFYKDETNCONR-OCCSQVGLSA-N 0 0 364.301 4.085 50 30 FIEARN O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000098053962 1088769083 /nfs/dbraw/zinc/76/90/83/1088769083.db2.gz LXPLSFVRLYYFBI-UQCOIBPSSA-N 0 0 359.765 4.306 50 30 FIEARN O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC[C@H]1c1cccnc1 ZINC000328745841 1089894745 /nfs/dbraw/zinc/89/47/45/1089894745.db2.gz AJCCVNYZDOPEDL-SFHVURJKSA-N 0 0 352.438 4.181 50 30 FIEARN CCc1nc([C@H](C)NC(=O)c2nc(C)sc2Br)cs1 ZINC000330653377 1091176009 /nfs/dbraw/zinc/17/60/09/1091176009.db2.gz JKMMFWSZSZRAJX-LURJTMIESA-N 0 0 360.302 4.299 50 30 FIEARN O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000021190830 1108155357 /nfs/dbraw/zinc/15/53/57/1108155357.db2.gz DRSVDXXGVSTTBK-JXAWBTAJSA-N 0 0 355.507 4.179 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219388815 /nfs/dbraw/zinc/38/88/15/219388815.db2.gz QQDHKCLDSJHDKU-ZHACJKMWSA-N 0 0 360.207 4.044 50 30 FIEARN C#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000002299593 219437405 /nfs/dbraw/zinc/43/74/05/219437405.db2.gz RGXPQGXDDCNAHK-UHFFFAOYSA-N 0 0 366.511 4.360 50 30 FIEARN CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000003221834 219492815 /nfs/dbraw/zinc/49/28/15/219492815.db2.gz RPURXHAUZMXXNL-UHFFFAOYSA-N 0 0 354.475 4.423 50 30 FIEARN COc1cc(C#N)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003443651 219510521 /nfs/dbraw/zinc/51/05/21/219510521.db2.gz IXVYLCSQOSEOED-UHFFFAOYSA-N 0 0 370.493 4.440 50 30 FIEARN COc1ccc(CCNc2oc(COc3cccc(C)c3)nc2C#N)cc1 ZINC000003903592 219529712 /nfs/dbraw/zinc/52/97/12/219529712.db2.gz OGEKTVLVTCYURO-UHFFFAOYSA-N 0 0 363.417 4.097 50 30 FIEARN CN(C)c1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000003911107 219531287 /nfs/dbraw/zinc/53/12/87/219531287.db2.gz PPBVYUFMGBSBKO-WEVVVXLNSA-N 0 0 353.805 4.409 50 30 FIEARN Cc1c(C#N)c(NC(=O)C(C)(C)C)sc1Cc1ccc2c(c1)OCO2 ZINC000004087324 219540849 /nfs/dbraw/zinc/54/08/49/219540849.db2.gz GIPJTEVQQWVOHM-UHFFFAOYSA-N 0 0 356.447 4.232 50 30 FIEARN CCc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)cc1 ZINC000004669200 219593880 /nfs/dbraw/zinc/59/38/80/219593880.db2.gz KLRIEAAVFWMBQY-OQKWZONESA-N 0 0 369.490 4.206 50 30 FIEARN CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000004913958 219623803 /nfs/dbraw/zinc/62/38/03/219623803.db2.gz PLXAXNGGZSCJSZ-DZGCQCFKSA-N 0 0 369.511 4.474 50 30 FIEARN C=CCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000004995726 219635541 /nfs/dbraw/zinc/63/55/41/219635541.db2.gz ABZDIMYJVWYNLU-UHFFFAOYSA-N 0 0 372.428 4.116 50 30 FIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 ZINC000005214569 219661588 /nfs/dbraw/zinc/66/15/88/219661588.db2.gz KEYMTANTBKGDKE-QGOAFFKASA-N 0 0 367.474 4.043 50 30 FIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cccnc1 ZINC000005460568 219682193 /nfs/dbraw/zinc/68/21/93/219682193.db2.gz 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ZINC000013575665 220076397 /nfs/dbraw/zinc/07/63/97/220076397.db2.gz WOYJICZSMYLYAV-UHFFFAOYSA-N 0 0 364.386 4.083 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C/c1ccco1)CN(CCc1ccccc1)CO3 ZINC000013722336 220089615 /nfs/dbraw/zinc/08/96/15/220089615.db2.gz ZXDBIQBDRQCAJY-FYJGNVAPSA-N 0 0 373.408 4.290 50 30 FIEARN COc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)c1OC ZINC000013711794 220088175 /nfs/dbraw/zinc/08/81/75/220088175.db2.gz JWMVCYHLQQFOJC-DHDCSXOGSA-N 0 0 374.849 4.249 50 30 FIEARN C=CCNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C ZINC000014018020 220103010 /nfs/dbraw/zinc/10/30/10/220103010.db2.gz GDYPKWPGCQOXPJ-UHFFFAOYSA-N 0 0 354.479 4.273 50 30 FIEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000015083411 220147390 /nfs/dbraw/zinc/14/73/90/220147390.db2.gz ARYUAWVTXLHDIS-HNNXBMFYSA-N 0 0 363.248 4.243 50 30 FIEARN Cc1nn2c(nc(-c3ccccc3)c(C#N)c2N)c1-c1ccc(Cl)cc1 ZINC000015084138 220147542 /nfs/dbraw/zinc/14/75/42/220147542.db2.gz RRJKWCQTIVERAM-UHFFFAOYSA-N 0 0 359.820 4.479 50 30 FIEARN C=CCOc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000015832340 220166868 /nfs/dbraw/zinc/16/68/68/220166868.db2.gz HMVJTABHRFBROE-UHFFFAOYSA-N 0 0 350.443 4.305 50 30 FIEARN N#Cc1cccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)c1 ZINC000016092967 220177791 /nfs/dbraw/zinc/17/77/91/220177791.db2.gz DRKAEWJHPANSDH-UHFFFAOYSA-N 0 0 351.383 4.118 50 30 FIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCC(C)CC3)C2=O)cc1C ZINC000016311853 220182655 /nfs/dbraw/zinc/18/26/55/220182655.db2.gz DMPQFIKKOHYUEZ-GYHWCHFESA-N 0 0 361.489 4.460 50 30 FIEARN CC[C@H](ON=C1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 ZINC000016334499 220182871 /nfs/dbraw/zinc/18/28/71/220182871.db2.gz HRCTYXHKZIAOEA-SFHVURJKSA-N 0 0 361.401 4.150 50 30 FIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000017166691 220207309 /nfs/dbraw/zinc/20/73/09/220207309.db2.gz NHOBGIRLDVEUEG-UHFFFAOYSA-N 0 0 373.456 4.345 50 30 FIEARN C[C@@](O)(C#CC1(O)C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 ZINC000017207818 220210391 /nfs/dbraw/zinc/21/03/91/220210391.db2.gz XMIJNSZEALGMGN-PJTPXRGVSA-N 0 0 354.534 4.144 50 30 FIEARN COc1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CCC3)cc1 ZINC000018200476 220228217 /nfs/dbraw/zinc/22/82/17/220228217.db2.gz WAJOBGZJVOUDDJ-FQEVSTJZSA-N 0 0 365.429 4.277 50 30 FIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000019314516 220249003 /nfs/dbraw/zinc/24/90/03/220249003.db2.gz NPQSWRYGJGMDMN-GOSISDBHSA-N 0 0 353.462 4.244 50 30 FIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000019313803 220249840 /nfs/dbraw/zinc/24/98/40/220249840.db2.gz MEDLNZLUJOFGRS-PGRDOPGGSA-N 0 0 373.452 4.221 50 30 FIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000019732163 220291998 /nfs/dbraw/zinc/29/19/98/220291998.db2.gz YEKUNMFZVLRNNI-QUCCMNQESA-N 0 0 372.380 4.001 50 30 FIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000019833190 220302346 /nfs/dbraw/zinc/30/23/46/220302346.db2.gz PGKQAVXAGFHWQZ-LPYMAVHISA-N 0 0 362.304 4.454 50 30 FIEARN COc1ccc(C=Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1OC ZINC000020076032 220313073 /nfs/dbraw/zinc/31/30/73/220313073.db2.gz OFEWLBXCBDYGHD-YDZHTSKRSA-N 0 0 358.401 4.393 50 30 FIEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020503985 220331937 /nfs/dbraw/zinc/33/19/37/220331937.db2.gz VAGQRUHSUPTKRQ-NCUBORBFSA-N 0 0 355.459 4.444 50 30 biogenic FIEARN C=CCn1c2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604807 220334531 /nfs/dbraw/zinc/33/45/31/220334531.db2.gz AZOKGMLJCQCAEJ-UHFFFAOYSA-N 0 0 369.393 4.387 50 30 FIEARN N#Cc1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000020667850 220337584 /nfs/dbraw/zinc/33/75/84/220337584.db2.gz UMFNFKKNSOCQEE-OAHLLOKOSA-N 0 0 350.403 4.418 50 30 FIEARN O=C1C[C@H](c2ccc(Cl)cc2Cl)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000020722867 220338536 /nfs/dbraw/zinc/33/85/36/220338536.db2.gz JIMSVBDGFXPIKO-CYBMUJFWSA-N 0 0 373.191 4.357 50 30 FIEARN Cc1ccc(CN2CCN(/N=C\c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022107662 220376681 /nfs/dbraw/zinc/37/66/81/220376681.db2.gz WNDIXGVPUOWMQF-XKZIYDEJSA-N 0 0 362.304 4.454 50 30 FIEARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608088 220391730 /nfs/dbraw/zinc/39/17/30/220391730.db2.gz OKBUKLSDQJYCIF-ZKANADHPSA-N 0 0 363.248 4.161 50 30 FIEARN C=CCNC(=O)c1cc2scc(Br)c2n1CC1CCC1 ZINC000037542288 220837829 /nfs/dbraw/zinc/83/78/29/220837829.db2.gz UPNVQGSUDJDEOZ-UHFFFAOYSA-N 0 0 353.285 4.181 50 30 FIEARN C=CCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O ZINC000048331591 221007762 /nfs/dbraw/zinc/00/77/62/221007762.db2.gz VQPFLUYNNVZROE-UHFFFAOYSA-N 0 0 367.430 4.091 50 30 FIEARN Cc1cc(Cl)ccc1OCCCNC(=O)CCc1ccc(C#N)cc1 ZINC000048325027 221007779 /nfs/dbraw/zinc/00/77/79/221007779.db2.gz NVHMGYVOLVTOSS-UHFFFAOYSA-N 0 0 356.853 4.038 50 30 FIEARN Cc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)c(Br)c1 ZINC000051319173 221035694 /nfs/dbraw/zinc/03/56/94/221035694.db2.gz VMDSUJVZTUQPMA-UHFFFAOYSA-N 0 0 368.234 4.223 50 30 FIEARN CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000051366966 221035928 /nfs/dbraw/zinc/03/59/28/221035928.db2.gz XBKHCMRDLYHWMG-OJYKYLQSSA-N 0 0 355.463 4.304 50 30 FIEARN N#Cc1c(Cl)nsc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000051922696 221036705 /nfs/dbraw/zinc/03/67/05/221036705.db2.gz WKUMFSDIIIVWES-HNNXBMFYSA-N 0 0 369.881 4.402 50 30 FIEARN Cc1ccc(C)c(Oc2ccc(CNc3nnc(C)c(C)c3C#N)cn2)c1 ZINC000052246545 221037898 /nfs/dbraw/zinc/03/78/98/221037898.db2.gz SPULDLKCTVUZTK-UHFFFAOYSA-N 0 0 359.433 4.381 50 30 FIEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc(NC(C)=O)nc1 ZINC000055154045 221059500 /nfs/dbraw/zinc/05/95/00/221059500.db2.gz CNDQJHDPUHEWHM-UXHICEINSA-N 0 0 361.445 4.128 50 30 FIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000057672096 221092177 /nfs/dbraw/zinc/09/21/77/221092177.db2.gz CHQWMXWBJOCVLE-JVVDOCDTSA-N 0 0 366.427 4.141 50 30 FIEARN N#Cc1ccsc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000058379503 221116963 /nfs/dbraw/zinc/11/69/63/221116963.db2.gz JYHHSBMZWFEEHY-UHFFFAOYSA-N 0 0 357.822 4.499 50 30 FIEARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000065149299 221172801 /nfs/dbraw/zinc/17/28/01/221172801.db2.gz SLIJHSRTUUULTP-UHFFFAOYSA-N 0 0 352.419 4.354 50 30 FIEARN N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071721494 221355669 /nfs/dbraw/zinc/35/56/69/221355669.db2.gz GXCLPUDDHWPZCP-OAHLLOKOSA-N 0 0 354.400 4.321 50 30 FIEARN CC1(C)C[C@H](c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)CCO1 ZINC000071774825 221375214 /nfs/dbraw/zinc/37/52/14/221375214.db2.gz GVPBMQKEEWXZBP-SNVBAGLBSA-N 0 0 361.367 4.292 50 30 FIEARN N#Cc1ccc(NCc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 ZINC000078972660 132192599 /nfs/dbraw/zinc/19/25/99/132192599.db2.gz ZDCUKXJIVIWSEY-UHFFFAOYSA-N 0 0 361.367 4.026 50 30 FIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2)CC1 ZINC000096346647 132224894 /nfs/dbraw/zinc/22/48/94/132224894.db2.gz UQVAUVPNCAHIOZ-VQTJNVASSA-N 0 0 370.456 4.144 50 30 FIEARN C(=N/N1CCN(c2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000001743029 132382474 /nfs/dbraw/zinc/38/24/74/132382474.db2.gz OBSNIRWZYAWGOP-NCELDCMTSA-N 0 0 371.484 4.422 50 30 FIEARN CCCCCOc1ccc(CN=Nc2cc(N3CCCCC3)ncn2)cc1 ZINC000004015888 132386175 /nfs/dbraw/zinc/38/61/75/132386175.db2.gz XWHCBAIWXKLUSC-LFVJCYFKSA-N 0 0 367.497 4.482 50 30 FIEARN Fc1ccc(NC(=S)Nc2ccccc2N2CCOCC2)cc1Cl ZINC000013684426 132870142 /nfs/dbraw/zinc/87/01/42/132870142.db2.gz XHEHLRSRFVJOIA-UHFFFAOYSA-N 0 0 365.861 4.345 50 30 FIEARN N#Cc1c(F)cccc1N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000071890484 136141322 /nfs/dbraw/zinc/14/13/22/136141322.db2.gz QCWZHMSBZHJVRG-HXUWFJFHSA-N 0 0 369.484 4.095 50 30 FIEARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000075351556 221579627 /nfs/dbraw/zinc/57/96/27/221579627.db2.gz JXMTUOQIKNJHGI-UHFFFAOYSA-N 0 0 364.430 4.498 50 30 FIEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2cccc(OCC)c2OC)c1C ZINC000096792243 222130191 /nfs/dbraw/zinc/13/01/91/222130191.db2.gz BZBUFGAWHAQADM-QXMHVHEDSA-N 0 0 371.433 4.112 50 30 FIEARN C=CCN1C(=O)SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O ZINC000097406768 222179348 /nfs/dbraw/zinc/17/93/48/222179348.db2.gz LFSQEQOBZLSJHM-BOPFTXTBSA-N 0 0 353.399 4.372 50 30 FIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000100136378 222236411 /nfs/dbraw/zinc/23/64/11/222236411.db2.gz RMCVKWXJZKBMDA-NHFXJNLRSA-N 0 0 370.408 4.016 50 30 FIEARN COc1ccc(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 ZINC000100560905 222246375 /nfs/dbraw/zinc/24/63/75/222246375.db2.gz GRSYWEYICSQHMD-XFXZXTDPSA-N 0 0 355.337 4.067 50 30 FIEARN CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 ZINC000100988963 222259070 /nfs/dbraw/zinc/25/90/70/222259070.db2.gz MNLCQUOKAWEOOK-TXZCWDHISA-N 0 0 372.833 4.303 50 30 FIEARN C=CCN1C(=O)C2=C(N[C@H]1SCC)c1ccccc1CC21CCCC1 ZINC000002216364 263144732 /nfs/dbraw/zinc/14/47/32/263144732.db2.gz DDPVSMYZBAUXEE-HXUWFJFHSA-N 0 0 354.519 4.169 50 30 FIEARN Cc1cc(C)cc(/N=C2/c3ccccc3N(CN3CCC[C@@H](C)C3)C2=O)c1 ZINC000004619975 263335206 /nfs/dbraw/zinc/33/52/06/263335206.db2.gz DJRBOYMEIRDDGQ-RNKPHZFSSA-N 0 0 361.489 4.460 50 30 FIEARN C=CCOc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000004649738 263335218 /nfs/dbraw/zinc/33/52/18/263335218.db2.gz IPLGNVKYCBDJCF-UHFFFAOYSA-N 0 0 358.869 4.354 50 30 FIEARN COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000004616601 263335220 /nfs/dbraw/zinc/33/52/20/263335220.db2.gz QPXCPJRDFMJQCV-GIJQJNRQSA-N 0 0 350.758 4.025 50 30 FIEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000006827529 263347497 /nfs/dbraw/zinc/34/74/97/263347497.db2.gz KWINEORYTPQINJ-WAYWQWQTSA-N 0 0 360.772 4.281 50 30 FIEARN C[C@](C#N)(NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1)C1CC1 ZINC000009313622 263360893 /nfs/dbraw/zinc/36/08/93/263360893.db2.gz SLKMOFBMAORLKO-HXUWFJFHSA-N 0 0 369.852 4.353 50 30 FIEARN COc1ccccc1-c1cc(N=C(NCc2ccccc2)SC)[nH]n1 ZINC000020440229 263380772 /nfs/dbraw/zinc/38/07/72/263380772.db2.gz XYOYTTGVWYPPST-UHFFFAOYSA-N 0 0 352.463 4.416 50 30 FIEARN C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000021930144 263385299 /nfs/dbraw/zinc/38/52/99/263385299.db2.gz RPRDZQRXUFFRQC-UHFFFAOYSA-N 0 0 358.488 4.011 50 30 FIEARN C#CCn1c2ccc3ccccc3c2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100910033 518345719 /nfs/dbraw/zinc/34/57/19/518345719.db2.gz ULLFXVPMSQJAAS-GYHWCHFESA-N 0 0 367.433 4.102 50 30 FIEARN CC(CC(C)N=Nc1ccccc1[N+](=O)[O-])N=Nc1ccccc1[N+](=O)[O-] ZINC000004520277 518473456 /nfs/dbraw/zinc/47/34/56/518473456.db2.gz IGNJFVSTTNBUPM-KLCVKJMQSA-N 0 0 370.369 4.169 50 30 FIEARN C=CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 ZINC000008750572 518733733 /nfs/dbraw/zinc/73/37/33/518733733.db2.gz NZVCZTDDTLBNPB-UHFFFAOYSA-N 0 0 368.458 4.075 50 30 FIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccc(F)cc1 ZINC000007781670 518798122 /nfs/dbraw/zinc/79/81/22/518798122.db2.gz XNAGPAGNXKILEZ-UHFFFAOYSA-N 0 0 366.396 4.404 50 30 FIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1 ZINC000058120340 519222985 /nfs/dbraw/zinc/22/29/85/519222985.db2.gz CHXIIUWUZHZOGS-UHFFFAOYSA-N 0 0 374.485 4.382 50 30 FIEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccco1 ZINC000002264110 519225092 /nfs/dbraw/zinc/22/50/92/519225092.db2.gz NPFBAAICUKVRKM-UHFFFAOYSA-N 0 0 368.462 4.017 50 30 FIEARN CC(C)OC(=NC(=O)c1ccccc1F)N[C@@H]1CCCc2ccccc21 ZINC000035817121 519742697 /nfs/dbraw/zinc/74/26/97/519742697.db2.gz UPMOFLHNPILRBA-LJQANCHMSA-N 0 0 354.425 4.414 50 30 FIEARN CC(C)c1ccc2c(c1)CCCN2C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000328595920 519840480 /nfs/dbraw/zinc/84/04/80/519840480.db2.gz KIUOQPFRSGPEBN-UHFFFAOYSA-N 0 0 363.417 4.267 50 30 FIEARN CCCNC(=O)c1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)cnn1C ZINC000002798120 519897482 /nfs/dbraw/zinc/89/74/82/519897482.db2.gz JQCNBGDOKLULGM-SSDVNMTOSA-N 0 0 370.840 4.224 50 30 FIEARN CCCCC1CCC(c2nc(C#N)c(NCCCN3CCOCC3)o2)CC1 ZINC000019897746 519921597 /nfs/dbraw/zinc/92/15/97/519921597.db2.gz MXVIYFUCYJQMEF-UHFFFAOYSA-N 0 0 374.529 4.144 50 30 FIEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000008407972 520060737 /nfs/dbraw/zinc/06/07/37/520060737.db2.gz YGQXPWIPQVPTSY-LJQANCHMSA-N 0 0 374.481 4.227 50 30 FIEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 ZINC000096766948 520788803 /nfs/dbraw/zinc/78/88/03/520788803.db2.gz ZSOMVXQCTZHIIV-QPBFKRLHSA-N 0 0 368.429 4.322 50 30 FIEARN CCOc1cc2c(cc1/C=C\C(=O)c1ccc(OCC#N)cc1)O[C@@H](C)C2 ZINC000096792340 520790387 /nfs/dbraw/zinc/79/03/87/520790387.db2.gz XGIJTKNKFQEWBS-AJHXJQRKSA-N 0 0 363.413 4.207 50 30 FIEARN CCCCOc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000004320954 520874250 /nfs/dbraw/zinc/87/42/50/520874250.db2.gz IUZYDWFNJRPOBK-QOCHGBHMSA-N 0 0 355.434 4.490 50 30 FIEARN CCOc1cccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1OC ZINC000007350214 521314150 /nfs/dbraw/zinc/31/41/50/521314150.db2.gz CWHBWGVCXXLLLX-OUKQBFOZSA-N 0 0 365.429 4.117 50 30 FIEARN CCOC(=O)c1c(C)nn(-c2ccc(/N=C\c3ccccc3O)cc2)c1C ZINC000020223891 521400377 /nfs/dbraw/zinc/40/03/77/521400377.db2.gz ZCBJTOFEJLJVBD-XKZIYDEJSA-N 0 0 363.417 4.122 50 30 FIEARN CN(Cc1ccsc1)C(=O)CON=C1c2ccccc2-c2ccccc21 ZINC000061529358 523483682 /nfs/dbraw/zinc/48/36/82/523483682.db2.gz UNXQPLOCFQRKIL-UHFFFAOYSA-N 0 0 362.454 4.156 50 30 FIEARN Cc1ccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021107730 524933368 /nfs/dbraw/zinc/93/33/68/524933368.db2.gz NDVZDRNXAZOHDJ-OAQYLSRUSA-N 0 0 354.413 4.227 50 30 FIEARN Cc1csc(C(=O)ONC(=N)c2ccc(C(C)(C)C)cc2)c1Cl ZINC000004324010 526318122 /nfs/dbraw/zinc/31/81/22/526318122.db2.gz QCOFEDCRERPQBT-UHFFFAOYSA-N 0 0 350.871 4.485 50 30 FIEARN S=C(N/N=C/c1ccccc1OCc1ccccc1)NC1CCCCC1 ZINC000019913128 526382401 /nfs/dbraw/zinc/38/24/01/526382401.db2.gz IMVWDBRNKPWSHL-PXLXIMEGSA-N 0 0 367.518 4.396 50 30 FIEARN O=C(O/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000004054224 526414475 /nfs/dbraw/zinc/41/44/75/526414475.db2.gz MLBYCNSVHWRVMY-UDWIEESQSA-N 0 0 373.796 4.039 50 30 FIEARN N#CC1(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)CCCC1 ZINC000009513058 526435659 /nfs/dbraw/zinc/43/56/59/526435659.db2.gz PNCSFTGJQWSRBP-UHFFFAOYSA-N 0 0 369.852 4.497 50 30 FIEARN N#CC1(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCCC1 ZINC000005170037 526436535 /nfs/dbraw/zinc/43/65/35/526436535.db2.gz WZIABJZBCARFBK-UHFFFAOYSA-N 0 0 354.837 4.338 50 30 FIEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000004947851 526439187 /nfs/dbraw/zinc/43/91/87/526439187.db2.gz WTQPPXFXTIWZPY-KGENOOAVSA-N 0 0 361.357 4.260 50 30 FIEARN N#Cc1ccnc(-c2cccc(-c3ccn(C[C@H](O)c4ccccc4)n3)c2)c1 ZINC000019838468 526755708 /nfs/dbraw/zinc/75/57/08/526755708.db2.gz GEGZKLVLPDIAIS-QHCPKHFHSA-N 0 0 366.424 4.217 50 30 FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1ccco1)CC(=O)O3 ZINC000253396002 527124360 /nfs/dbraw/zinc/12/43/60/527124360.db2.gz ASQCYGRPCVMXFF-GZQZNAIASA-N 0 0 358.349 4.337 50 30 biogenic FIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1ccc(O)cc1)CC(=O)O3 ZINC000253406813 527125925 /nfs/dbraw/zinc/12/59/25/527125925.db2.gz JHMWTPGCGPPLOH-PMFHANACSA-N 0 0 374.348 4.042 50 30 biogenic FIEARN 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Cc1nc(SCC(=O)Nc2ccccc2C#N)n(-c2ccccc2)c1C ZINC000009927058 571321299 /nfs/dbraw/zinc/32/12/99/571321299.db2.gz KGNHBASRPPPEOP-UHFFFAOYSA-N 0 0 362.458 4.092 50 30 FIEARN COCC1(N(C)C(=O)c2ccc(-c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000426433625 571322126 /nfs/dbraw/zinc/32/21/26/571322126.db2.gz JHGYPKKPXAYFED-UHFFFAOYSA-N 0 0 354.837 4.130 50 30 FIEARN COCc1c(C#N)c(NCc2ccccc2)nc(C)c1NC(=O)CC(C)C ZINC000012372112 571322349 /nfs/dbraw/zinc/32/23/49/571322349.db2.gz ZBGAEJFEUJRQNA-UHFFFAOYSA-N 0 0 366.465 4.005 50 30 FIEARN C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000012419208 571322417 /nfs/dbraw/zinc/32/24/17/571322417.db2.gz UAOTWDKOVJIPRR-UHFFFAOYSA-N 0 0 372.421 4.220 50 30 FIEARN CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000012855727 571322791 /nfs/dbraw/zinc/32/27/91/571322791.db2.gz HYDVYTNGBKHDER-WMZJFQQLSA-N 0 0 352.386 4.263 50 30 FIEARN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000096004297 571333831 /nfs/dbraw/zinc/33/38/31/571333831.db2.gz CQNNZBMWIGPGKQ-HOTGVXAUSA-N 0 0 352.475 4.450 50 30 FIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4c(=O)o3)sc2C1 ZINC000002503168 571337590 /nfs/dbraw/zinc/33/75/90/571337590.db2.gz LUQXQUMFLPORGD-NSHDSACASA-N 0 0 364.426 4.103 50 30 FIEARN N#Cc1cccc(C(=O)N2CCS[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000217630788 571349426 /nfs/dbraw/zinc/34/94/26/571349426.db2.gz AIQRLRPNGIWMHE-KRWDZBQOSA-N 0 0 362.376 4.465 50 30 FIEARN CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003463775 571350116 /nfs/dbraw/zinc/35/01/16/571350116.db2.gz MTJBYEIHUBSWJC-UHFFFAOYSA-N 0 0 353.443 4.481 50 30 FIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000004033417 571354353 /nfs/dbraw/zinc/35/43/53/571354353.db2.gz QRVHUSDHRDYCBU-GOSISDBHSA-N 0 0 357.457 4.115 50 30 FIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1OC ZINC000004069994 571354738 /nfs/dbraw/zinc/35/47/38/571354738.db2.gz IEUBTWWSLGSRPS-LLVKDONJSA-N 0 0 356.447 4.014 50 30 FIEARN COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004079567 571354898 /nfs/dbraw/zinc/35/48/98/571354898.db2.gz XZRPDLQARUIGQQ-UHFFFAOYSA-N 0 0 356.447 4.158 50 30 FIEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)cc2)C1=O ZINC000004117536 571355542 /nfs/dbraw/zinc/35/55/42/571355542.db2.gz PHQOGHPGSXSYTG-VBKFSLOCSA-N 0 0 351.427 4.149 50 30 FIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004119628 571355586 /nfs/dbraw/zinc/35/55/86/571355586.db2.gz GJTAIQIEXGLVBG-CTNGQTDRSA-N 0 0 368.404 4.154 50 30 FIEARN Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1C ZINC000004178730 571356531 /nfs/dbraw/zinc/35/65/31/571356531.db2.gz STHXHGQPWHXXLY-UHFFFAOYSA-N 0 0 360.457 4.492 50 30 FIEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2C2CC2)cc1 ZINC000004186954 571356627 /nfs/dbraw/zinc/35/66/27/571356627.db2.gz WRYLEJDGMJVNJA-UHFFFAOYSA-N 0 0 362.458 4.317 50 30 FIEARN CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000004296112 571357732 /nfs/dbraw/zinc/35/77/32/571357732.db2.gz RNGHWMDYNNVLLB-UHFFFAOYSA-N 0 0 350.447 4.041 50 30 FIEARN