smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[S@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000028018491 203868254 /nfs/dbraw/zinc/86/82/54/203868254.db2.gz WBFVEAIDIZELDZ-ARTZUXCXSA-N 0 0 358.547 4.269 1 30 FIEFRN COc1ccc(/N=C(/C[S@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005847072 204226776 /nfs/dbraw/zinc/22/67/76/204226776.db2.gz KHWPZNXULSJWRN-OFVJEAJMSA-N 0 0 355.381 4.446 1 30 FIEFRN CC(C)(C)c1cc(C=NNC(=N)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000028568714 204884728 /nfs/dbraw/zinc/88/47/28/204884728.db2.gz LHHOVMBAYVHGGH-ZMOGYAJESA-N 0 0 352.482 4.122 1 30 FIEFRN N#Cc1ccccc1Nc1nccc(Nc2c3c(ccc2Cl)OCO3)n1 ZINC000029043448 204894411 /nfs/dbraw/zinc/89/44/11/204894411.db2.gz YIDPUNRWTJXITE-UHFFFAOYSA-N 0 0 365.780 4.218 1 30 FIEFRN CCCCCCCCOc1ccc(C[NH2+]CCC[P@@](=O)([O-])O)cc1 ZINC000036178280 205007639 /nfs/dbraw/zinc/00/76/39/205007639.db2.gz BDZJQGMIIWGSHK-UHFFFAOYSA-N 0 0 357.431 4.083 1 30 FIEFRN Clc1cccc2c1CC[C@H](Cn1cncn1)/C2=N/OCc1ccccc1 ZINC000040407647 205069081 /nfs/dbraw/zinc/06/90/81/205069081.db2.gz PEDWQXLPDWKZOZ-UVPKWBSNSA-N 0 0 366.852 4.115 1 30 FIEFRN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000040937210 205085145 /nfs/dbraw/zinc/08/51/45/205085145.db2.gz NPJMHDSJMKQRLZ-QUCCMNQESA-N 0 0 353.393 4.057 1 30 FIEFRN CC(=O)c1ccc(NC(=O)O/N=C2\CCCC3=C2[C@H]2CCC[C@@H]2N3)cc1 ZINC000040575705 205073633 /nfs/dbraw/zinc/07/36/33/205073633.db2.gz SPTUVAYEZUTZAM-SJBDXFSSSA-N 0 0 353.422 4.004 1 30 FIEFRN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2 ZINC000040593199 205074028 /nfs/dbraw/zinc/07/40/28/205074028.db2.gz YLLPMBLABONSAM-XKZIYDEJSA-N 0 0 360.432 4.464 1 30 FIEFRN COc1ccccc1/C=N/c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043070534 205099709 /nfs/dbraw/zinc/09/97/09/205099709.db2.gz AZAXNYZKPGRSEQ-RGVLZGJSSA-N 0 0 363.446 4.004 1 30 FIEFRN N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccc4ccccc4c3)n2)cc1 ZINC000049069716 205169232 /nfs/dbraw/zinc/16/92/32/205169232.db2.gz PSNWOIVSLSELIV-MEFGMAGPSA-N 0 0 365.396 4.472 1 30 FIEFRN CCCCCCCCc1c(C)[nH]c(C)c(I)c1=O ZINC000049605498 205174213 /nfs/dbraw/zinc/17/42/13/205174213.db2.gz DWGQVNPYOUEJHQ-UHFFFAOYSA-N 0 0 361.267 4.499 1 30 FIEFRN COc1cccc(-c2n[nH]nc2C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c1 ZINC000061921129 205289290 /nfs/dbraw/zinc/28/92/90/205289290.db2.gz HUEZZIFSPTTZPW-OAHLLOKOSA-N 0 0 363.392 4.150 3 30 FIEFRN COc1ccc2ccc(=O)oc2c1C(=O)/C=C/c1ccc(SC)cc1 ZINC000072118398 205468539 /nfs/dbraw/zinc/46/85/39/205468539.db2.gz WZFMAYBMNSHMIR-BJMVGYQFSA-N 0 0 352.411 4.420 1 30 FIEFRN O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000103204551 205988932 /nfs/dbraw/zinc/98/89/32/205988932.db2.gz LJKOOEAEQGXAIY-ZSOIEALJSA-N 0 0 359.794 4.140 1 30 FIEFRN CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@@H]1c1ccc(C#N)cc1 ZINC000103273609 205991001 /nfs/dbraw/zinc/99/10/01/205991001.db2.gz NPYYQARVPUEKSB-JOCHJYFZSA-N 0 0 354.413 4.113 1 30 FIEFRN CC(=O)C1=C(C)OC(C)(C)[C@H]2COc3ccc4c(=O)c(C)c(C)oc4c3[C@@H]12 ZINC000169330935 206251330 /nfs/dbraw/zinc/25/13/30/206251330.db2.gz AMHKSGHETYLRCN-MAUKXSAKSA-N 0 0 368.429 4.174 1 30 FIEFRN C[C@]12O[C@]13CC[C@@H]1[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]1[C@@]3(C)Cc1cnoc12 ZINC000169342362 206252543 /nfs/dbraw/zinc/25/25/43/206252543.db2.gz TULCTYRIZUZHIP-DGCUGIJISA-N 0 0 357.494 4.209 1 30 FIEFRN C=CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1OC ZINC000002694702 206340196 /nfs/dbraw/zinc/34/01/96/206340196.db2.gz RAMFBZULTRKHGX-SFHVURJKSA-N 0 0 370.474 4.054 1 30 FIEFRN CCOC(=O)C1=C[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000049808287 221028175 /nfs/dbraw/zinc/02/81/75/221028175.db2.gz GGVRZWHHURITKH-AWEZNQCLSA-N 0 0 359.853 4.117 1 30 FIEFRN O=C1Nc2ccc(Cl)cc2N(CC2CC2)[C@]1(C#CC1CC1)C(F)(F)F ZINC000002008762 132373536 /nfs/dbraw/zinc/37/35/36/132373536.db2.gz KXJOWNIBEHZJJX-KRWDZBQOSA-N 0 0 368.786 4.223 1 30 FIEFRN C[C@H]1CCc2ccccc2N1/C(=N\O)c1cccnc1OCC(C)(C)C ZINC000072183937 136143833 /nfs/dbraw/zinc/14/38/33/136143833.db2.gz OSCBYJWLSUGGIC-BXPXOOBPSA-N 0 0 353.466 4.484 1 30 FIEFRN N#CCCCCn1c2ccccc2nc1CN1C(=O)CCc2ccccc21 ZINC000028824456 136153463 /nfs/dbraw/zinc/15/34/63/136153463.db2.gz WWLOSPLMWRDREG-UHFFFAOYSA-N 0 0 358.445 4.210 1 30 FIEFRN COc1ccc(CNC2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000102988623 222316338 /nfs/dbraw/zinc/31/63/38/222316338.db2.gz DGWJJTNGZUQVMM-UHFFFAOYSA-N 0 0 369.420 4.275 1 30 FIEFRN COC(C)(C)CCC[C@@](C)(O)C#C[C@@H](C)N1CCCC[C@@H]1c1cccnc1 ZINC000055142311 522474122 /nfs/dbraw/zinc/47/41/22/522474122.db2.gz RBNPONNUFQLAEM-KJXAQDMKSA-N 0 0 372.553 4.347 2 30 FIEFRN C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)C(=O)C1 ZINC000013373262 574413170 /nfs/dbraw/zinc/41/31/70/574413170.db2.gz XCESLDIMJGQRPW-LLVKDONJSA-N 0 0 352.386 4.004 1 30 endogenous,in-man FIEFRN C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)C(=O)C1 ZINC000100773643 574418608 /nfs/dbraw/zinc/41/86/08/574418608.db2.gz XCESLDIMJGQRPW-NSHDSACASA-N 0 0 352.386 4.004 1 30 endogenous,in-man FIEFRN C=CCC[C@@]1(S(=O)(=O)c2ccccc2)C(=O)O[C@H](CCC)[C@H]1CC=C ZINC000040976035 203779882 /nfs/dbraw/zinc/77/98/82/203779882.db2.gz YNKIVQLTPVEJCT-GGPKGHCWSA-N 0 0 362.491 4.083 1 30 FIEFRN CC[C@H]1O[C@@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O ZINC000029203869 203870826 /nfs/dbraw/zinc/87/08/26/203870826.db2.gz VBZDOTWQJMEDRX-GDBMZVCRSA-N 0 0 357.759 4.258 1 30 FIEFRN CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#Cc1ccccc1 ZINC000084615689 203923959 /nfs/dbraw/zinc/92/39/59/203923959.db2.gz HHKUJZBGUXKPAO-UHFFFAOYSA-N 0 0 350.805 4.307 1 30 FIEFRN COc1ccc(/C=C(\C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000004847332 204168842 /nfs/dbraw/zinc/16/88/42/204168842.db2.gz HOTCJDIFBMQISC-XYOKQWHBSA-N 0 0 360.381 4.146 1 30 FIEFRN COc1ccc2sc(-c3ccc(N(C)C)cc3)c(C#CCCO)c2c1 ZINC000036388694 204351743 /nfs/dbraw/zinc/35/17/43/204351743.db2.gz VLHKFBAEEWOKHE-UHFFFAOYSA-N 0 0 351.471 4.377 3 30 FIEFRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)cc1 ZINC000019228611 204673654 /nfs/dbraw/zinc/67/36/54/204673654.db2.gz NMSFRKGEMRYGAN-YMNYDYPGSA-N 0 0 361.397 4.364 1 30 FIEFRN COC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C ZINC000027406800 204862836 /nfs/dbraw/zinc/86/28/36/204862836.db2.gz LHEVCTOCCCWEOA-UOWDBTKRSA-N 0 0 362.640 4.341 1 30 FIEFRN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C#N)oc21 ZINC000026257573 204848223 /nfs/dbraw/zinc/84/82/23/204848223.db2.gz ATETVUDHVLJVIY-UHFFFAOYSA-N 0 0 362.172 4.267 1 30 FIEFRN NC(N)=NC(=O)c1cc2c(cccc2-c2cccc(C(F)(F)F)c2)s1 ZINC000028524865 204884305 /nfs/dbraw/zinc/88/43/05/204884305.db2.gz DHEDPWNFRWFWEJ-UHFFFAOYSA-N 0 0 363.364 4.001 1 30 FIEFRN CCc1c(C)n(C)c2c1C(=NOC(=O)Nc1ccc(C(C)=O)cc1)CCC2 ZINC000038149923 205038342 /nfs/dbraw/zinc/03/83/42/205038342.db2.gz ZJXVWSSQCJBGJJ-PTGBLXJZSA-N 0 0 367.449 4.388 1 30 FIEFRN COc1ccc(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)cc1 ZINC000040429646 205070504 /nfs/dbraw/zinc/07/05/04/205070504.db2.gz OJGHWRDUNPVUAZ-UHFFFAOYSA-N 0 0 361.401 4.390 1 30 FIEFRN C=C(Br)C(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000040833824 205083337 /nfs/dbraw/zinc/08/33/37/205083337.db2.gz VEZJRWGCECIUSU-FMIVXFBMSA-N 0 0 356.219 4.430 1 30 FIEFRN CC(C)C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040849214 205083483 /nfs/dbraw/zinc/08/34/83/205083483.db2.gz LUERLKCMAMMACP-NRFANRHFSA-N 0 0 372.486 4.432 1 30 FIEFRN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000040937206 205085596 /nfs/dbraw/zinc/08/55/96/205085596.db2.gz NPJMHDSJMKQRLZ-ICSRJNTNSA-N 0 0 353.393 4.057 1 30 FIEFRN COc1ccccc1-c1n[nH]nc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1 ZINC000061921107 205289785 /nfs/dbraw/zinc/28/97/85/205289785.db2.gz QGIQRKYGLVLNRQ-CQSZACIVSA-N 0 0 363.392 4.150 3 30 FIEFRN CC[C@@H]1CC[C@@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586055 205300579 /nfs/dbraw/zinc/30/05/79/205300579.db2.gz IOFPKNOWAZVTNF-ASSNKEHSSA-N 0 0 364.449 4.155 1 30 FIEFRN COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1[C@H](C)C=C[C@@H]1C ZINC000072101584 205468277 /nfs/dbraw/zinc/46/82/77/205468277.db2.gz XDYKFQFHMDJNDE-PHMUXJLZSA-N 0 0 367.449 4.284 1 30 FIEFRN CCc1c(OS(=O)(=O)c2ccc(C)cc2)c2cc(C#N)ccn2c1CC ZINC000073163142 205568454 /nfs/dbraw/zinc/56/84/54/205568454.db2.gz LOFSFDKTGGICJX-UHFFFAOYSA-N 0 0 368.458 4.012 1 30 FIEFRN CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O ZINC000100788034 205947742 /nfs/dbraw/zinc/94/77/42/205947742.db2.gz UIWJTSRUBBDRKJ-BCJYLAGMSA-N 0 0 364.526 4.257 1 30 FIEFRN COc1ccc(Oc2cc(/C(=N/O)N3[C@H](C)CCC[C@H]3C)ccn2)cc1 ZINC000101825737 205966333 /nfs/dbraw/zinc/96/63/33/205966333.db2.gz JXEIBXWDBREKAK-ACTSSSRDSA-N 0 0 355.438 4.281 1 30 FIEFRN C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)[C@@H]5C[C@@H]5[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000118932894 206103129 /nfs/dbraw/zinc/10/31/29/206103129.db2.gz FXLVZEFEJCTHMH-FBOVEPKJSA-N 0 0 366.501 4.306 1 30 FIEFRN C/C(=N\NC(=S)NC(C)(C)[C@H]1CC=C(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000169312765 206251026 /nfs/dbraw/zinc/25/10/26/206251026.db2.gz KUCPGPJXSHDKDO-YIRPMMGJSA-N 0 0 374.510 4.308 1 30 FIEFRN C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000169338305 206252557 /nfs/dbraw/zinc/25/25/57/206252557.db2.gz CKTKQBJWDOJCQM-HIIRIOHQSA-N 0 0 370.459 4.307 1 30 FIEFRN COc1ccc(C(=O)N2c3ccccc3Oc3cc(C#N)ccc32)cc1O ZINC000072107763 136141817 /nfs/dbraw/zinc/14/18/17/136141817.db2.gz IQBCGEKPMZGLBD-UHFFFAOYSA-N 0 0 358.353 4.357 1 30 in-vivo FIEFRN CC(C)(C)c1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn21 ZINC000095578007 534931005 /nfs/dbraw/zinc/93/10/05/534931005.db2.gz BTWWYEWFVRYVGD-UHFFFAOYSA-N 0 0 359.477 4.282 1 30 FIEFRN C=C(C)[C@H]1Cc2cc3c4oc5cc6c(cc5c4c(=O)oc3cc2O1)OCO6 ZINC000014721488 291079319 /nfs/dbraw/zinc/07/93/19/291079319.db2.gz KKHJPBHZHXWSPP-CYBMUJFWSA-N 0 0 362.337 4.301 1 30 biogenic,in-vitro FIEFRN C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@]2(OC)CC1 ZINC000070455313 291079547 /nfs/dbraw/zinc/07/95/47/291079547.db2.gz BIOOBLCSDJRYEN-AKQDLLBKSA-N 0 0 358.434 4.147 1 30 biogenic,in-vitro FIEFRN CC(=O)OC1=C2C=C(C)C(=O)[C@H]2[C@H]2O[C@@]2(C)CC[C@H]2[C@@H](C[C@H]1C)C2(C)C ZINC000103549651 291079567 /nfs/dbraw/zinc/07/95/67/291079567.db2.gz HQTDVSPKCOYAQC-RWQVCBMDSA-N 0 0 358.478 4.199 1 30 biogenic,in-vitro FIEFRN COc1ccccc1Cc1ccc([C@H]2C=C[C@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864988 204021486 /nfs/dbraw/zinc/02/14/86/204021486.db2.gz PFELQEDNUCWLOJ-GAJHUEQPSA-N 0 0 362.425 4.397 1 30 FIEFRN N#CC(c1nc2cc(C(F)(F)F)ccc2s1)c1cc(Cl)ncn1 ZINC000006567366 204254317 /nfs/dbraw/zinc/25/43/17/204254317.db2.gz BUPSBGZRGFBBNA-MRVPVSSYSA-N 0 0 354.744 4.414 1 30 FIEFRN CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ccco2)c2ccccc2)[C@H]1O ZINC000013605182 204537906 /nfs/dbraw/zinc/53/79/06/204537906.db2.gz ZTTWIRQONANRPZ-FCHUYYIVSA-N 0 0 374.440 4.431 1 30 FIEFRN CCCCCCCCc1ccc(CC[C@@H]([NH3+])CCS(=O)(=O)[O-])cc1 ZINC000036178143 205006345 /nfs/dbraw/zinc/00/63/45/205006345.db2.gz ATISRFOLHJLTMH-LJQANCHMSA-N 0 0 355.544 4.127 1 30 FIEFRN C=C(C)C(=O)c1ccc(OCc2nc(-c3ccc(O)cc3)no2)cc1C ZINC000045261471 205118358 /nfs/dbraw/zinc/11/83/58/205118358.db2.gz ZCHZRXOVOSWEOH-UHFFFAOYSA-N 0 0 350.374 4.088 1 30 FIEFRN CCCCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000043706627 205103762 /nfs/dbraw/zinc/10/37/62/205103762.db2.gz XEORRHNCTNKQPA-MRXNPFEDSA-N 0 0 368.429 4.267 1 30 FIEFRN COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc(-c3ccncc3)cc1)O2 ZINC000058568516 205277434 /nfs/dbraw/zinc/27/74/34/205277434.db2.gz WOMOYYXYQGFNSL-JAIQZWGSSA-N 0 0 359.381 4.382 1 30 FIEFRN COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCCC2)cc1 ZINC000072185005 205501266 /nfs/dbraw/zinc/50/12/66/205501266.db2.gz DNPXLUYPRDZRBG-QOCHGBHMSA-N 0 0 355.438 4.203 1 30 FIEFRN COc1ccc(-c2cc(-c3nc4ccccc4n3C)nc(OC)c2C#N)cc1 ZINC000096922208 205885405 /nfs/dbraw/zinc/88/54/05/205885405.db2.gz ROUUQYDMFZHJTK-UHFFFAOYSA-N 0 0 370.412 4.191 1 30 FIEFRN Cc1ccc(C=NNc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000103275871 205992079 /nfs/dbraw/zinc/99/20/79/205992079.db2.gz BNGHIHMYGBIZPM-BUVRLJJBSA-N 0 0 368.440 4.199 1 30 FIEFRN C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=CC2=C(O1)C(=O)C=C(OC)C2=O ZINC000044418130 220955598 /nfs/dbraw/zinc/95/55/98/220955598.db2.gz VGWPPUHIRZBYJE-KHIBUBOWSA-N 0 0 356.462 4.430 1 30 FIEFRN CC(C)CN1c2cc(Cl)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000014943930 132373565 /nfs/dbraw/zinc/37/35/65/132373565.db2.gz MSLMRPXAJRYFCN-QGZVFWFLSA-N 0 0 370.802 4.469 1 30 FIEFRN Cc1cc(=NN=Cc2ccccc2Cl)nc(NCc2ccccc2)[nH]1 ZINC000038196343 525046128 /nfs/dbraw/zinc/04/61/28/525046128.db2.gz JCIFSCHJLFKSNT-XKZIYDEJSA-N 0 0 351.841 4.497 1 30 FIEFRN C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2OC(C)=O ZINC000095918581 291079318 /nfs/dbraw/zinc/07/93/18/291079318.db2.gz HTNGGVARAVBBLP-UVLLPENVSA-N 0 0 358.478 4.185 1 30 biogenic,in-vitro FIEFRN COc1ccccc1Cc1ccc([C@@H]2C=C[C@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864986 204021566 /nfs/dbraw/zinc/02/15/66/204021566.db2.gz PFELQEDNUCWLOJ-UZUQRXQVSA-N 0 0 362.425 4.397 1 30 FIEFRN N#Cc1cc2c(cc1C#N)SCCSCCCSCCS2 ZINC000005822304 204227537 /nfs/dbraw/zinc/22/75/37/204227537.db2.gz MWDZYSHIBZKMKC-UHFFFAOYSA-N 0 0 352.575 4.484 1 30 FIEFRN N#Cc1cc([C@H](O)c2ccc(-n3cccn3)cc2)n2c1ccc1ccccc12 ZINC000038495095 205041691 /nfs/dbraw/zinc/04/16/91/205041691.db2.gz DVPPLLMQFZWJSE-HSZRJFAPSA-N 0 0 364.408 4.232 1 30 FIEFRN N#Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)n2c1ccc1ccccc12 ZINC000040393096 205067927 /nfs/dbraw/zinc/06/79/27/205067927.db2.gz QIQNZDAUUYGSPV-UHFFFAOYSA-N 0 0 362.392 4.381 1 30 FIEFRN CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(C)cc1 ZINC000040392186 205068436 /nfs/dbraw/zinc/06/84/36/205068436.db2.gz PHCBVLICQLPVEQ-LFQSBUTJSA-N 0 0 367.474 4.474 1 30 FIEFRN N#CCCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040575324 205073547 /nfs/dbraw/zinc/07/35/47/205073547.db2.gz DQGQSQRPSMPLCS-DEOSSOPVSA-N 0 0 367.452 4.047 1 30 FIEFRN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(C#N)cc1 ZINC000045388754 205120900 /nfs/dbraw/zinc/12/09/00/205120900.db2.gz 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CCCCC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)NCCO ZINC000027646053 574413970 /nfs/dbraw/zinc/41/39/70/574413970.db2.gz TYRRSRADDAROSO-HCBILCPJSA-N 0 0 363.542 4.452 1 30 endogenous,in-man FIEFRN CCCCC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCCC(=O)NCCO ZINC000027646032 574413975 /nfs/dbraw/zinc/41/39/75/574413975.db2.gz BXHPMUQFGGSDAK-RXUOWVCCSA-N 0 0 363.542 4.452 1 30 endogenous,in-man FIEFRN C=C1C(=O)C2=C[C@@H]1CCC(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2OC(C)=O ZINC000014508924 291079324 /nfs/dbraw/zinc/07/93/24/291079324.db2.gz HTNGGVARAVBBLP-VXCZRNDOSA-N 0 0 358.478 4.185 1 30 biogenic,in-vitro FIEFRN C[C@]12C=C[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 ZINC000118933038 209349543 /nfs/dbraw/zinc/34/95/43/209349543.db2.gz BAOTVTWAXDKNIQ-HXCATZOESA-N 0 0 364.485 4.082 1 30 FIEFRN C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)[C@@H]5C[C@@H]5[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000118932896 209348808 /nfs/dbraw/zinc/34/88/08/209348808.db2.gz 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520861195 /nfs/dbraw/zinc/86/11/95/520861195.db2.gz AROQIOVVETYVAC-VXPUYCOJSA-N 0 0 373.478 4.211 1 30 FIEFRN COc1cc(C=NNc2cccc(C)c2)ccc1OC(=O)c1ccco1 ZINC000006207123 521992407 /nfs/dbraw/zinc/99/24/07/521992407.db2.gz SLQPOFGIUSLMPB-FYJGNVAPSA-N 0 0 350.374 4.262 3 30 FIEFRN C=CCc1cc2c(cc1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000059234825 560082396 /nfs/dbraw/zinc/08/23/96/560082396.db2.gz AEFIJALBGAGMIC-YUNKPMOVSA-N 0 0 356.418 4.384 1 30 biogenic,in-vitro FIEFRN O=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(Cl)cc1 ZINC000103219947 209249759 /nfs/dbraw/zinc/24/97/59/209249759.db2.gz VCCAZURKKJTQCD-ZROIWOOFSA-N 0 0 359.794 4.140 1 30 FIEFRN O/N=C1/CCc2cc(Nc3c(-c4ccccc4)nc4cnccn43)ccc21 ZINC000102821537 209242868 /nfs/dbraw/zinc/24/28/68/209242868.db2.gz FDPUNLKAIPTKCQ-BWAHOGKJSA-N 0 0 355.401 4.264 1 30 FIEFRN CCCC(=[NH+]Cc1ccccc1)C1=C([O-])[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000102730979 209240915 /nfs/dbraw/zinc/24/09/15/209240915.db2.gz WBZVRWMIDKNGRM-CEZZIEKDSA-N 0 0 357.450 4.028 1 30 FIEFRN N#Cc1c(N)nc(-c2nc3ccccc3[nH]2)cc1-c1ccc(Cl)cc1[O-] ZINC000096933857 209163077 /nfs/dbraw/zinc/16/30/77/209163077.db2.gz SMUXXKIZYYBSOH-UHFFFAOYSA-N 0 0 361.792 4.105 1 30 FIEFRN CCN1C(=O)C(=Cc2ccc(O)cc2)S/C1=N\c1cccc(C(C)=O)c1 ZINC000096911427 209162014 /nfs/dbraw/zinc/16/20/14/209162014.db2.gz BOSJWLOQLNVFFZ-GTQPVGENSA-N 0 0 366.442 4.219 1 30 FIEFRN C#C[C@@H](C)Sc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl ZINC000103283300 206710167 /nfs/dbraw/zinc/71/01/67/206710167.db2.gz NCPWAAXDTZXBCV-SECBINFHSA-N 0 0 353.802 4.370 1 30 FIEFRN C[C@]1(C#N)c2ccccc2C(Br)=CN1C(=O)c1ccccc1 ZINC000012726678 207411589 /nfs/dbraw/zinc/41/15/89/207411589.db2.gz JJQLCNRBWFCJKA-SFHVURJKSA-N 0 0 353.219 4.275 3 30 FIEFRN CCCC[C@@]12Cc3c(ccc4n[nH]nc43)C1=C(Br)C(=O)CC2 ZINC000034055169 208101931 /nfs/dbraw/zinc/10/19/31/208101931.db2.gz GDXSIURHFVXLSM-QGZVFWFLSA-N 0 0 360.255 4.160 1 30 FIEFRN O=C1CC[C@@]2(c3ccccc3)Cc3cc(O)ccc3C2=C1Br ZINC000034633762 208105331 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/nfs/dbraw/zinc/22/97/14/209229714.db2.gz OJEHTIGGVFMYQK-MYECPZRPSA-N 0 0 367.836 4.439 1 30 FIEFRN COc1ccc(/C=N\c2c(-c3ccc(OC)cc3)nc3n2CCS3)cc1 ZINC000100518261 209214983 /nfs/dbraw/zinc/21/49/83/209214983.db2.gz YMPZQZIFBHBCIN-BKUYFWCQSA-N 0 0 365.458 4.424 1 30 FIEFRN C#CCN1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc1C2=O ZINC000060051752 206683403 /nfs/dbraw/zinc/68/34/03/206683403.db2.gz OZJSDPWRUYKBNJ-UHFFFAOYSA-N 0 0 351.833 4.295 1 30 FIEFRN COc1ccc(CNc2nnc(Cl)c3ccc(C#N)cc32)cc1Cl ZINC000004199948 207007694 /nfs/dbraw/zinc/00/76/94/207007694.db2.gz CMKOKNGHDDWVKW-UHFFFAOYSA-N 0 0 359.216 4.429 1 30 FIEFRN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=c1[nH]c2ccccc2n1C ZINC000005072501 207079398 /nfs/dbraw/zinc/07/93/98/207079398.db2.gz UNMJCNZWCWDKOU-CIAFOILYSA-N 0 0 364.840 4.167 3 30 FIEFRN CC(=NNS(=O)(=O)c1ccc(C)cc1)C1=C(C)Nc2ccccc2S1 ZINC000005616067 207109536 /nfs/dbraw/zinc/10/95/36/207109536.db2.gz WTJKYCKRAZEKJR-XSFVSMFZSA-N 0 0 373.503 4.099 1 30 FIEFRN N#Cc1ccc(Nc2nc(N)nc(Oc3c(Cl)cccc3Cl)n2)cc1 ZINC000005932851 207123240 /nfs/dbraw/zinc/12/32/40/207123240.db2.gz NFNNMVVXXITVGD-UHFFFAOYSA-N 0 0 373.203 4.168 1 30 aggregator,in-vivo FIEFRN CN(C)/C=N/c1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000006665192 207152665 /nfs/dbraw/zinc/15/26/65/207152665.db2.gz SDTFXMGLISCQCQ-FYJGNVAPSA-N 0 0 352.825 4.227 1 30 FIEFRN COc1ccc2c(c1C1=COC(C)(C)C1=O)O[C@H](c1ccccc1)CC2=O ZINC000014721498 207526305 /nfs/dbraw/zinc/52/63/05/207526305.db2.gz MWZIKFXFEIAQDO-SFHVURJKSA-N 0 0 364.397 4.121 1 30 FIEFRN CCSC[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1CC#N ZINC000028817115 207974866 /nfs/dbraw/zinc/97/48/66/207974866.db2.gz WKSOLYFTXNJCCL-INIZCTEOSA-N 0 0 367.396 4.016 1 30 FIEFRN [NH2+]=C(NCC1CCCCC1)c1c(=O)[n-]sc1Nc1cccc(Cl)c1 ZINC000034802619 208112226 /nfs/dbraw/zinc/11/22/26/208112226.db2.gz HSYUUHRMZMFBCA-UHFFFAOYSA-N 0 0 364.902 4.119 1 30 FIEFRN C[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12 ZINC000040403070 208250838 /nfs/dbraw/zinc/25/08/38/208250838.db2.gz KNTPSJWEFWVLCP-NFOQDIRWSA-N 0 0 371.465 4.447 1 30 FIEFRN COc1ccc2nc3cc(Cl)ccc3c(NN=Cc3ncc[nH]3)c2c1 ZINC000040576417 208256811 /nfs/dbraw/zinc/25/68/11/208256811.db2.gz YPCCKVMMQYRLBG-LSHDLFTRSA-N 0 0 351.797 4.219 1 30 FIEFRN N#CCCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040575326 208257547 /nfs/dbraw/zinc/25/75/47/208257547.db2.gz DQGQSQRPSMPLCS-XMMPIXPASA-N 0 0 367.452 4.047 1 30 FIEFRN CC(C)C[C@@H](c1nnnn1C)N(CC1CCC1)c1ccc(C#N)c(Cl)c1 ZINC000043064083 208301303 /nfs/dbraw/zinc/30/13/03/208301303.db2.gz NRNKWZJLUHDQSO-SFHVURJKSA-N 0 0 372.904 4.129 1 30 FIEFRN CC1(C)CCC[C@@]2(C)c3coc(C4=C([N+](=O)[O-])C(=O)C=CC4=O)c3CC[C@@H]12 ZINC000049877658 208423142 /nfs/dbraw/zinc/42/31/42/208423142.db2.gz UUXNLPCCGUNFPH-KKSFZXQISA-N 0 0 369.417 4.006 1 30 FIEFRN FC(F)(F)c1cc(NN=Cc2c[nH]cn2)c2cccc(C(F)(F)F)c2n1 ZINC000058498715 208585841 /nfs/dbraw/zinc/58/58/41/208585841.db2.gz DVQKMRBNTOSMOU-GFXGDVFHSA-N 0 0 373.260 4.442 1 30 FIEFRN CCC1(CC)NC(=O)c2c(c3ccc(Cl)c(Cl)c3n2C)[C@@H]1C#N ZINC000082156525 208950118 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CCCCCCCCCCCCC/C=C1\C(=O)O[C@@H](CO)[C@@H]1OC(C)=O ZINC000034800295 581095346 /nfs/dbraw/zinc/09/53/46/581095346.db2.gz TWUWFRLZDWDJLT-VZCOUXDVSA-N 0 0 368.514 4.463 1 30 FIEFRN C=C(C)[C@H]1/C=C/[C@@H](C)C(=O)[C@H]2C[C@@H](C)[C@H](OC(C)=O)/C2=C/[C@H](C)C(=O)C1 ZINC000095912531 291078836 /nfs/dbraw/zinc/07/88/36/291078836.db2.gz XSEUJTRCOWEKGS-XSVGXAOZSA-N 0 0 358.478 4.063 1 30 biogenic,in-vitro FIEFRN C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000118933954 209350960 /nfs/dbraw/zinc/35/09/60/209350960.db2.gz RRHHMFQGHCFGMH-CSWIUNRJSA-N 0 0 354.490 4.450 1 30 FIEFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2CC=O)cc1OC ZINC000103168814 209246639 /nfs/dbraw/zinc/24/66/39/209246639.db2.gz KUNCDKYXQFNDOC-OAQYLSRUSA-N 0 0 374.440 4.207 1 30 FIEFRN CO/N=C(/c1nccn1C)c1ccccc1COc1cccc(Cl)c1 ZINC000103177954 209247334 /nfs/dbraw/zinc/24/73/34/209247334.db2.gz SPQGRKMFMFAKHK-RELWKKBWSA-N 0 0 355.825 4.051 1 30 FIEFRN 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BXKCPLKQZJHTRJ-LJQANCHMSA-N 0 0 367.792 4.040 1 30 FIEFRN C=CCN1c2ccccc2[C@@]2(CC(C)=C[C@H](COc3ccccc3)O2)C1=O ZINC000066166971 210101415 /nfs/dbraw/zinc/10/14/15/210101415.db2.gz TYUIURKAGWBLBW-XXBNENTESA-N 0 0 361.441 4.229 1 30 FIEFRN C=CC(C)(C)c1cc(OC)c(OC)c2c1oc1c(OC)cccc1c2=O ZINC000095919238 291079326 /nfs/dbraw/zinc/07/93/26/291079326.db2.gz IQVVWOPFAXMZPK-UHFFFAOYSA-N 0 0 354.402 4.436 1 30 biogenic,in-vitro FIEFRN COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)OC(C)(C)CC2 ZINC000039560269 291081588 /nfs/dbraw/zinc/08/15/88/291081588.db2.gz OUGUXKCRQNJDIN-RMKNXTFCSA-N 0 0 354.402 4.106 1 30 biogenic,in-vitro FIEFRN O=C(/C=C/[C@H]1CCC=C[C@@H]1CO)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085625173 291082718 /nfs/dbraw/zinc/08/27/18/291082718.db2.gz KCKUEEAWIALEGN-XNNVRVGISA-N 0 0 370.489 4.346 1 30 biogenic,in-vitro FIEFRN Oc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000064548431 212039339 /nfs/dbraw/zinc/03/93/39/212039339.db2.gz CCHUBZZZUSEZDY-HZHRSRAPSA-N 0 0 354.413 4.372 1 30 FIEFRN 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CCOC(=O)c1cc2c(C#Cc3ccc(C(F)(F)F)cc3)nc(C)cn2c1 ZINC000029126010 220595494 /nfs/dbraw/zinc/59/54/94/220595494.db2.gz UEKJWQSMBUORNB-UHFFFAOYSA-N 0 0 372.346 4.238 1 30 FIEFRN COc1ccc2sc(-c3cc(OC)cc(OC)c3)c(C#CCCO)c2c1 ZINC000036388687 220817996 /nfs/dbraw/zinc/81/79/96/220817996.db2.gz KBJGIEKHSRUINA-UHFFFAOYSA-N 0 0 368.454 4.328 3 30 FIEFRN C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1(C#N)c1ccccc12 ZINC000040913381 220924999 /nfs/dbraw/zinc/92/49/99/220924999.db2.gz GURXHUFOBMEVOR-QJVIICBYSA-N 0 0 371.465 4.447 1 30 FIEFRN CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21 ZINC000066065899 221238951 /nfs/dbraw/zinc/23/89/51/221238951.db2.gz JIKFLEZNTIZKCI-UHFFFAOYSA-N 0 0 371.437 4.271 1 30 FIEFRN N#CCN1c2ccccc2C(c2ccccc2)=N[C@@H](Cc2ccccc2)C1=O ZINC000066077112 221240338 /nfs/dbraw/zinc/24/03/38/221240338.db2.gz NONZLSHFNRETAL-NRFANRHFSA-N 0 0 365.436 4.005 1 30 FIEFRN C[C@@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@@H]1n1ccnc1 ZINC000066112712 221241718 /nfs/dbraw/zinc/24/17/18/221241718.db2.gz RIHDFCZNDAOVEA-KEVKDDMLSA-N 0 0 367.836 4.480 1 30 FIEFRN C[C@H]1Oc2cc(Cl)ccc2/C(=N/OCc2ccccc2)[C@@H]1n1ccnc1 ZINC000066157586 221242590 /nfs/dbraw/zinc/24/25/90/221242590.db2.gz RLCNNGQPPXIUAX-UOPBXGRVSA-N 0 0 367.836 4.480 1 30 FIEFRN COc1ccc(Oc2c(C#N)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000066156697 221242605 /nfs/dbraw/zinc/24/26/05/221242605.db2.gz XVHKCRXQKJGFGB-UHFFFAOYSA-N 0 0 361.401 4.028 1 30 FIEFRN O=C1c2ccc(C#Cc3ccccc3Cl)nc2CCN1C1CCCCC1 ZINC000071340521 221343645 /nfs/dbraw/zinc/34/36/45/221343645.db2.gz DAIGYVORYSPSKC-UHFFFAOYSA-N 0 0 364.876 4.466 1 30 FIEFRN COc1ccc(C(=O)/C=C/c2cc(Br)c(O)cc2OC)cc1 ZINC000071340588 221344046 /nfs/dbraw/zinc/34/40/46/221344046.db2.gz JZJREZZAJGJQIN-VMPITWQZSA-N 0 0 363.207 4.068 1 30 FIEFRN COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1[C@@H](C)C=C[C@@H]1C ZINC000072101585 221404354 /nfs/dbraw/zinc/40/43/54/221404354.db2.gz XDYKFQFHMDJNDE-ZQDRVHJVSA-N 0 0 367.449 4.284 1 30 FIEFRN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 ZINC000096900738 222136691 /nfs/dbraw/zinc/13/66/91/222136691.db2.gz ZCYRABKIGMKRBI-WENBPLFZSA-N 0 0 354.450 4.397 1 30 FIEFRN O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccc(Cl)cc2)o1 ZINC000098085715 222227963 /nfs/dbraw/zinc/22/79/63/222227963.db2.gz ZUBPPPLZMLBAFK-KEBDBYFISA-N 0 0 351.749 4.247 1 30 FIEFRN CCCCNc1c(F)c(F)c2c(c1F)C(=O)C(F)=C(NCCCC)C2=O ZINC000100751997 222251606 /nfs/dbraw/zinc/25/16/06/222251606.db2.gz XREJXEZWNDEMHJ-UHFFFAOYSA-N 0 0 372.362 4.266 1 30 FIEFRN CN(C(=O)C1=CC2c3ccccc3C1(C=O)c1ccccc12)C1CCCCC1 ZINC000103228119 222326343 /nfs/dbraw/zinc/32/63/43/222326343.db2.gz QFZQLWWKDBVCPX-UHFFFAOYSA-N 0 0 371.480 4.348 1 30 FIEFRN N#Cc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3ccccc32)cc1 ZINC000101673106 222280208 /nfs/dbraw/zinc/28/02/08/222280208.db2.gz QWPSCBWKIVWDDX-QRVIBDJDSA-N 0 0 367.452 4.197 1 30 FIEFRN COc1ccccc1Oc1ncccc1/C(=N/O)N1[C@H](C)CCC[C@@H]1C ZINC000101823904 222285323 /nfs/dbraw/zinc/28/53/23/222285323.db2.gz DANQKAYNCIVDCD-XFTYPWRXSA-N 0 0 355.438 4.281 1 30 FIEFRN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC ZINC000101966739 222286833 /nfs/dbraw/zinc/28/68/33/222286833.db2.gz VEPKYAIMGAECAR-AZZGVMCLSA-N 0 0 371.433 4.075 1 30 FIEFRN C=C[C@](C)(O)CC[C@@]1(C)C2=C([C@H](O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2 ZINC000034409746 560087373 /nfs/dbraw/zinc/08/73/73/560087373.db2.gz XKQBKQUOQCQQBX-MHMMHEKKSA-N 0 0 364.526 4.159 1 30 biogenic,in-vitro FIEFRN C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CC/C=C(\C)CC/C=C(\C)C[C@H](OC(C)=O)[C@@H]12 ZINC000028008032 581094608 /nfs/dbraw/zinc/09/46/08/581094608.db2.gz PTHKHRXTRBUUGO-JMHCWUSJSA-N 0 0 374.477 4.030 1 30 FIEFRN O/N=C1\CCc2cc(-c3cn(C4CCOCC4)nc3-c3ccncc3)ccc21 ZINC000035950597 581096380 /nfs/dbraw/zinc/09/63/80/581096380.db2.gz RZCDDUDKDKUXLC-NJNXFGOHSA-N 0 0 374.444 4.088 1 30 FIEFRN CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C[C@H]2OC2(C)C)c1O ZINC000013434907 291080674 /nfs/dbraw/zinc/08/06/74/291080674.db2.gz PRFYQPIRUTZKDO-IUODEOHRSA-N 0 0 362.466 4.261 1 30 biogenic,in-vitro FIEFRN C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000005862139 219703322 /nfs/dbraw/zinc/70/33/22/219703322.db2.gz WRQPNTFOWSEHKM-CIAFOILYSA-N 0 0 366.317 4.424 3 30 FIEFRN Fc1ccccc1NC(=S)N=NCc1ccccc1Br ZINC000013468841 220068168 /nfs/dbraw/zinc/06/81/68/220068168.db2.gz ITXAOUGARQFJLP-RQZCQDPDSA-N 0 0 352.232 4.320 3 30 FIEFRN C=C(C)CO[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000013823434 220096463 /nfs/dbraw/zinc/09/64/63/220096463.db2.gz NHTHXZVTVJEHNY-HGQWONQESA-N 0 0 374.521 4.199 1 30 FIEFRN CCCn1c2ccccc2nc1NC(=O)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000018270580 220230041 /nfs/dbraw/zinc/23/00/41/220230041.db2.gz IKQXQSPZBBKREC-XFKLWTPLSA-N 0 0 353.466 4.366 1 30 FIEFRN O=c1c2cc(C#CCc3ccccc3)ccc2ncn1Cc1ccc(F)cc1 ZINC000029133101 220594695 /nfs/dbraw/zinc/59/46/95/220594695.db2.gz BTVFBQCKHQGEQX-UHFFFAOYSA-N 0 0 368.411 4.178 1 30 FIEFRN N#Cc1cccc(Nc2nccc(Nc3c4c(ccc3Cl)OCO4)n2)c1 ZINC000029043363 220592591 /nfs/dbraw/zinc/59/25/91/220592591.db2.gz TZDOGRLWMMRMCR-UHFFFAOYSA-N 0 0 365.780 4.218 1 30 FIEFRN COC(=O)c1ccc(CN=Nc2ncnc3sc(C(C)(C)C)cc32)cc1 ZINC000045393050 220970782 /nfs/dbraw/zinc/97/07/82/220970782.db2.gz XFRFTPGVNSJELE-LSHDLFTRSA-N 0 0 368.462 4.221 1 30 FIEFRN N#Cc1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061908376 221136796 /nfs/dbraw/zinc/13/67/96/221136796.db2.gz BKJCDVQHOFAAJI-KRWDZBQOSA-N 0 0 360.360 4.480 3 30 FIEFRN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000101726703 222282510 /nfs/dbraw/zinc/28/25/10/222282510.db2.gz SDJUOIRLMNUNEV-AZZGVMCLSA-N 0 0 354.450 4.124 1 30 FIEFRN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000101916832 222287409 /nfs/dbraw/zinc/28/74/09/222287409.db2.gz QLCYSVYRXFUBPX-GMQRBVGNSA-N 0 0 354.450 4.479 1 30 FIEFRN CN1CCC/C1=N\C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000139148171 222545800 /nfs/dbraw/zinc/54/58/00/222545800.db2.gz FDUMRNOHSIGDHN-SSDVNMTOSA-N 0 0 353.266 4.380 1 30 FIEFRN CC(N=NC(=S)NC1CCCCC1)c1cccc(Br)c1 ZINC000008691215 518460065 /nfs/dbraw/zinc/46/00/65/518460065.db2.gz ACUOUZFYXZRSIC-WOJGMQOQSA-N 0 0 354.317 4.381 3 30 FIEFRN CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)NCCO ZINC000027646044 574413967 /nfs/dbraw/zinc/41/39/67/574413967.db2.gz TYRRSRADDAROSO-ZWKWGYOGSA-N 0 0 363.542 4.452 1 30 endogenous,in-man FIEFRN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000003012252 219482346 /nfs/dbraw/zinc/48/23/46/219482346.db2.gz FSDNOUFROLLLRA-IBGZPJMESA-N 0 0 371.452 4.381 1 30 FIEFRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(C)O ZINC000012480542 220000041 /nfs/dbraw/zinc/00/00/41/220000041.db2.gz UQVKMBXGBQPSIA-BLROVAFISA-N 0 0 374.521 4.201 1 30 FIEFRN CC(=O)n1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)c2ccccc21 ZINC000013470155 220068676 /nfs/dbraw/zinc/06/86/76/220068676.db2.gz BKHHGOOGUZLGME-DEDYPNTBSA-N 0 0 358.441 4.160 1 30 FIEFRN N#Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 ZINC000014945209 220136046 /nfs/dbraw/zinc/13/60/46/220136046.db2.gz ZHCONWQJKAVEGQ-UHFFFAOYSA-N 0 0 368.396 4.113 1 30 FIEFRN COCC(=O)O[C@@H]1C#CCCCCC#C/C1=C\c1cccc2ccccc12 ZINC000027877554 220548406 /nfs/dbraw/zinc/54/84/06/220548406.db2.gz MTPIYIZFIDUFHB-ZGZCKBCJSA-N 0 0 358.437 4.362 1 30 FIEFRN CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1 ZINC000066074522 221239699 /nfs/dbraw/zinc/23/96/99/221239699.db2.gz JMXGHXAEFGLVRZ-UHFFFAOYSA-N 0 0 365.392 4.459 1 30 FIEFRN N#Cc1c(=O)c2c[nH]ccc-2nc1-c1ccc(-c2ccccc2CO)cc1 ZINC000073310291 221563485 /nfs/dbraw/zinc/56/34/85/221563485.db2.gz XVZAEAACKTYAQO-UHFFFAOYSA-N 0 0 353.381 4.033 1 30 FIEFRN COC1=CC(=O)C2=C(C[C@]3(C)[C@H](C)CC[C@]45C[C@@]4(C)CCC[C@]53O2)C1=O ZINC000096922381 222139986 /nfs/dbraw/zinc/13/99/86/222139986.db2.gz FXQUTAHTMURVON-QDOMDNQYSA-N 0 0 356.462 4.098 1 30 FIEFRN CC(=NNC(N)=[NH2+])c1sc(-c2ccc(C3=CCCCC3)cc2)nc1C ZINC000103245291 222328128 /nfs/dbraw/zinc/32/81/28/222328128.db2.gz CLMIKDMOUKLWMW-YDZHTSKRSA-N 0 0 353.495 4.283 1 30 FIEFRN O=C1C=CC(=O)C(c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)=C1 ZINC000103283079 222332370 /nfs/dbraw/zinc/33/23/70/222332370.db2.gz FJCHXZKOVMDORK-UHFFFAOYSA-N 0 0 360.800 4.284 1 30 FIEFRN O=Cc1c(/N=C/N2CCCCC2)n(-c2ccccc2)nc1-c1ccccc1 ZINC000102396286 222295128 /nfs/dbraw/zinc/29/51/28/222295128.db2.gz JAUMHQQIXMURTF-HAVVHWLPSA-N 0 0 358.445 4.498 1 30 FIEFRN CCCCC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)NCCO ZINC000027646049 574413969 /nfs/dbraw/zinc/41/39/69/574413969.db2.gz TYRRSRADDAROSO-XXHBABOJSA-N 0 0 363.542 4.452 1 30 endogenous,in-man FIEFRN Cn1c(C#N)ccc1-c1cc2c(c(F)c1)N(C1CCCC1)C(=O)C2(C)C ZINC000029133189 581098858 /nfs/dbraw/zinc/09/88/58/581098858.db2.gz PBZQJZHVFLVQJI-UHFFFAOYSA-N 0 0 351.425 4.270 1 30 FIEFRN COc1c(/C=C\C(=O)c2ccc(O)c(O)c2)ccc(O)c1CC=C(C)C ZINC000085510993 291081033 /nfs/dbraw/zinc/08/10/33/291081033.db2.gz RDYZHQQZLIBKBP-UITAMQMPSA-N 0 0 354.402 4.217 1 30 biogenic,in-vitro FIEFRN COc1c2cc3c(cc(=O)c2cc(C(C)C)c1OC)C(C)(C)C(=O)C=C3 ZINC000005761569 291081042 /nfs/dbraw/zinc/08/10/42/291081042.db2.gz LDBQEVDAHSVWKL-UHFFFAOYSA-N 0 0 352.430 4.214 1 30 biogenic,in-vitro FIEFRN CCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O ZINC000013571467 220075745 /nfs/dbraw/zinc/07/57/45/220075745.db2.gz SIHFDBBLGWUTQJ-JCMHNJIXSA-N 0 0 359.466 4.299 1 30 FIEFRN C[S@](=O)c1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1 ZINC000013976654 220099820 /nfs/dbraw/zinc/09/98/20/220099820.db2.gz KGAKMGAGWMZPAL-XMMPIXPASA-N 0 0 360.862 4.324 1 30 FIEFRN C=C(C/C=C/C=C/Cl)C[C@H](OC(=O)[C@@H]1CCC(=O)N1C)C(C)(C)C ZINC000014585414 220127277 /nfs/dbraw/zinc/12/72/77/220127277.db2.gz PBUCOVRNOZGUGN-MLBHASODSA-N 0 0 353.890 4.210 1 30 FIEFRN O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)F)ccc2[nH]1 ZINC000014968437 220137724 /nfs/dbraw/zinc/13/77/24/220137724.db2.gz ISVCAFNMNCASTQ-UHFFFAOYSA-N 0 0 374.231 4.181 1 30 FIEFRN CCCCO[C@](C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F ZINC000026837953 220523123 /nfs/dbraw/zinc/52/31/23/220523123.db2.gz WSKKQJCILNSNFW-GOSISDBHSA-N 0 0 355.400 4.233 1 30 FIEFRN COc1ccc(/C=C2\S/C(=N/c3nc4ccccc4s3)NC2=O)cc1 ZINC000029060889 220593570 /nfs/dbraw/zinc/59/35/70/220593570.db2.gz CAFFLYYBQBVROH-GDNBJRDFSA-N 0 0 367.455 4.197 1 30 FIEFRN Cc1ccccc1C=NNc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000028639437 220579706 /nfs/dbraw/zinc/57/97/06/220579706.db2.gz MDMNCKWKRCKWCE-HAHDFKILSA-N 0 0 354.413 4.140 1 30 FIEFRN CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O ZINC000038140220 220849299 /nfs/dbraw/zinc/84/92/99/220849299.db2.gz UIWJTSRUBBDRKJ-BYSYGBTMSA-N 0 0 364.526 4.257 1 30 FIEFRN CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(Cl)cc1 ZINC000040408787 220905697 /nfs/dbraw/zinc/90/56/97/220905697.db2.gz SDMKQOWHXHPBLL-IBGZPJMESA-N 0 0 353.805 4.106 1 30 FIEFRN CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000049802700 221027633 /nfs/dbraw/zinc/02/76/33/221027633.db2.gz MMFKGZDUQXTJEY-ZHNJOBQTSA-N 0 0 370.456 4.353 1 30 FIEFRN CCOC(=O)C1=C[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000049808286 221028255 /nfs/dbraw/zinc/02/82/55/221028255.db2.gz GGVRZWHHURITKH-CQSZACIVSA-N 0 0 359.853 4.117 1 30 FIEFRN CC(C)/N=C1\S/C(=C\c2ccc(O)c(F)c2)C(=O)N1c1ccccc1 ZINC000049072923 221019777 /nfs/dbraw/zinc/01/97/77/221019777.db2.gz WVZSRPQKEDOEQJ-WQZDFCHPSA-N 0 0 356.422 4.417 1 30 FIEFRN COC1=CC(=O)C2=C(C[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)O2)C1=O ZINC000059097191 221123962 /nfs/dbraw/zinc/12/39/62/221123962.db2.gz HFBFVIXWFQKASY-DEVSCXNHSA-N 0 0 358.478 4.344 1 30 FIEFRN N#Cc1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000066122791 221241211 /nfs/dbraw/zinc/24/12/11/221241211.db2.gz QIIYXYNIDJTHQG-QFIPXVFZSA-N 0 0 374.827 4.061 1 30 FIEFRN C[C@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@@H]1n1ccnc1 ZINC000066112711 221241582 /nfs/dbraw/zinc/24/15/82/221241582.db2.gz RIHDFCZNDAOVEA-UOPBXGRVSA-N 0 0 367.836 4.480 1 30 FIEFRN N#Cc1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c(F)c1 ZINC000072185366 221451195 /nfs/dbraw/zinc/45/11/95/221451195.db2.gz YRESKFMGHVGGOR-LJQANCHMSA-N 0 0 372.321 4.395 1 30 FIEFRN N#Cc1c(-c2ccc(Cl)cc2)c(-c2cc[nH]n2)sc1N1CCOCC1 ZINC000084596325 221723231 /nfs/dbraw/zinc/72/32/31/221723231.db2.gz FYOGYDKDXLXLSG-UHFFFAOYSA-N 0 0 370.865 4.167 1 30 FIEFRN CC/C(=N\OCc1ccccc1[C@H](OC)C(=O)NC)c1ccc(Cl)cc1 ZINC000103193002 222324106 /nfs/dbraw/zinc/32/41/06/222324106.db2.gz YDROQQWUVQBAED-IPCAQAEESA-N 0 0 374.868 4.104 1 30 FIEFRN O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000103204549 222325324 /nfs/dbraw/zinc/32/53/24/222325324.db2.gz OBDWYCAAIQXBMQ-ZSOIEALJSA-N 0 0 359.794 4.140 1 30 FIEFRN C#C[C@H](C)Sc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl ZINC000103283298 222332529 /nfs/dbraw/zinc/33/25/29/222332529.db2.gz NCPWAAXDTZXBCV-VIFPVBQESA-N 0 0 353.802 4.370 1 30 FIEFRN CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1Cl ZINC000102885846 222312276 /nfs/dbraw/zinc/31/22/76/222312276.db2.gz VDRUXJDTIBDGQS-ZPHPHTNESA-N 0 0 363.870 4.466 1 30 FIEFRN C[C@]12C=C[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000118933058 222515081 /nfs/dbraw/zinc/51/50/81/222515081.db2.gz RNGDEOLZMRZQRM-PWMNKVPJSA-N 0 0 350.458 4.002 1 30 FIEFRN S=C(NCCc1ccccc1)N/N=C\c1cccc(Cl)c1Cl ZINC000033408155 526384492 /nfs/dbraw/zinc/38/44/92/526384492.db2.gz NVKXIZWESDLKAV-JAIQZWGSSA-N 0 0 352.290 4.034 1 30 FIEFRN C=CCOc1c(OC)cc2c(c1OC)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000013460287 560217016 /nfs/dbraw/zinc/21/70/16/560217016.db2.gz UVDMRNDOXNATBL-KPZWWZAWSA-N 0 0 370.401 4.235 1 30 biogenic,in-vitro FIEFRN C=CC/C=C/C/C=C/CCCCCCCC(=O)[C@]1(O)OC(=O)C=C1OC ZINC000014488396 574413443 /nfs/dbraw/zinc/41/34/43/574413443.db2.gz HSXROUAAHWNUBX-NKLWYABOSA-N 0 0 362.466 4.141 1 30 endogenous,in-man FIEFRN C=CCN1c2cccc(Br)c2[C@]2(O[C@H](C)CC3=CCC[C@H]32)C1=O ZINC000195449560 222622859 /nfs/dbraw/zinc/62/28/59/222622859.db2.gz RUTZFVNVRSJPBL-TVZGQMOCSA-N 0 0 374.278 4.322 1 30 FIEFRN COc1ccc(COc2ccc(-c3nn(CCC#N)c(=S)o3)cc2)cc1 ZINC000013826709 220096659 /nfs/dbraw/zinc/09/66/59/220096659.db2.gz KHJKEJIWXKHCJF-UHFFFAOYSA-N 0 0 367.430 4.374 1 30 FIEFRN C=C(C/C=C/C=C/Cl)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1C)C(C)(C)C ZINC000014585418 220127237 /nfs/dbraw/zinc/12/72/37/220127237.db2.gz PBUCOVRNOZGUGN-ZNRSUNCHSA-N 0 0 353.890 4.210 1 30 FIEFRN C=CCn1c2ccccc2c(=O)c2cc(C#CC3(O)CCCCC3)ccc21 ZINC000015935065 220171910 /nfs/dbraw/zinc/17/19/10/220171910.db2.gz CELSLFYNSSTHNK-UHFFFAOYSA-N 0 0 357.453 4.387 3 30 FIEFRN CC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040861255 220923542 /nfs/dbraw/zinc/92/35/42/220923542.db2.gz VUKCXZFVJUVFFT-WQQBQYIPSA-N 0 0 371.437 4.305 1 30 FIEFRN Cc1c2cc[nH]c2ccc1Nc1c2cc(/C=C/C(N)=O)sc2ncc1C#N ZINC000040917533 220924827 /nfs/dbraw/zinc/92/48/27/220924827.db2.gz MXZMNMJBRPSOOG-GORDUTHDSA-N 0 0 373.441 4.200 1 30 FIEFRN O=C1c2c(cc(O)cc2O)O/C1=C\c1c2ccccc2[nH]c1-c1ccccn1 ZINC000049116156 221018656 /nfs/dbraw/zinc/01/86/56/221018656.db2.gz HGJGUYNOVGVHDX-ODLFYWEKSA-N 0 0 370.364 4.257 1 30 FIEFRN N#C[C@@H]1c2ccccc2-n2nncc2CN1Cc1cc(Cl)cc(Cl)c1 ZINC000061942535 221138303 /nfs/dbraw/zinc/13/83/03/221138303.db2.gz ZZBKABWEWZZHKK-GOSISDBHSA-N 0 0 370.243 4.155 3 30 FIEFRN CC[C@@H]1CC[C@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586051 221148888 /nfs/dbraw/zinc/14/88/88/221148888.db2.gz IOFPKNOWAZVTNF-LRTDBIEQSA-N 0 0 364.449 4.155 1 30 FIEFRN CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@H](O)CO ZINC000066075709 221239194 /nfs/dbraw/zinc/23/91/94/221239194.db2.gz PPAJAKNTNIOXSS-QJRAZLAKSA-N 0 0 355.563 4.493 1 30 FIEFRN O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000066066402 221239325 /nfs/dbraw/zinc/23/93/25/221239325.db2.gz WAEHBFPFUORTCC-WUXMJOGZSA-N 0 0 359.381 4.246 1 30 FIEFRN Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N ZINC000066076808 221240280 /nfs/dbraw/zinc/24/02/80/221240280.db2.gz WIMXURNPWBOQET-UHFFFAOYSA-N 0 0 367.474 4.441 1 30 FIEFRN N#Cc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 ZINC000101075787 132233511 /nfs/dbraw/zinc/23/35/11/132233511.db2.gz ANLCVQLXDPDBJI-UHFFFAOYSA-N 0 0 374.465 4.151 1 30 FIEFRN COc1ccc(/C=C/C(=O)c2cccc(I)c2)cc1 ZINC000084622332 221724838 /nfs/dbraw/zinc/72/48/38/221724838.db2.gz KGQYENFXOZQJMC-JXMROGBWSA-N 0 0 364.182 4.196 1 30 FIEFRN C=CC(C)(C)c1cc([C@@H]2COc3c(O)c(O)ccc3C2)c(OC)cc1OC ZINC000096902671 222136376 /nfs/dbraw/zinc/13/63/76/222136376.db2.gz KGAVZZUNWBEGCQ-AWEZNQCLSA-N 0 0 370.445 4.297 1 30 FIEFRN COc1ccc([C@H]2Cc3ccccc3[C@@H](C3C(=O)CCOC3=O)C2)cc1 ZINC000102238613 222292725 /nfs/dbraw/zinc/29/27/25/222292725.db2.gz CHWGIHPOTZCPCS-LPHOPBHVSA-N 0 0 350.414 4.268 1 30 FIEFRN CCN(Cc1ccccc1)c1ccc(CN=NC(=S)NC(C)C)cc1 ZINC000008687466 521373766 /nfs/dbraw/zinc/37/37/66/521373766.db2.gz NZBRDGAGPLPQPH-KGENOOAVSA-N 0 0 354.523 4.331 3 30 FIEFRN CC(C)=CC[C@]12C(=O)C=CC(=O)[C@]13CC(C)=C[C@H]2c1cc(O)ccc1O3 ZINC000005767710 560203161 /nfs/dbraw/zinc/20/31/61/560203161.db2.gz HBDVLYQTRSOPRO-BULFRSBZSA-N 0 0 350.414 4.008 1 30 in-vitro FIEFRN COC1=C(C)C(=O)c2c3c(c(O)cc2C1=O)[C@@](C)(CCC=C(C)C)[C@@H](C)O3 ZINC000006031900 560204535 /nfs/dbraw/zinc/20/45/35/560204535.db2.gz GDSPWZDWUUGKIM-DMZKTXOQSA-N 0 0 370.445 4.477 1 30 in-vitro FIEFRN C=CC/C=C/C/C=C/CCCCCCCC(=O)[C@@]1(O)OC(=O)C=C1OC ZINC000006482810 574412734 /nfs/dbraw/zinc/41/27/34/574412734.db2.gz HSXROUAAHWNUBX-AIMMFNLXSA-N 0 0 362.466 4.141 1 30 endogenous,in-man FIEFRN N#CC(c1nc2cc(C(F)(F)F)ccc2s1)c1cc(Cl)ncn1 ZINC000001861457 219421548 /nfs/dbraw/zinc/42/15/48/219421548.db2.gz BUPSBGZRGFBBNA-QMMMGPOBSA-N 0 0 354.744 4.414 1 30 FIEFRN CC(=O)OC1=C[C@@]2(C)[C@@H](CC[C@@]34C=C[C@@](C)(C3)C(=O)C[C@@H]42)C(C)(C)C1=O ZINC000095908909 291079840 /nfs/dbraw/zinc/07/98/40/291079840.db2.gz RTPXQSGEIGDEKG-UDBCTEGJSA-N 0 0 356.462 4.000 1 30 biogenic,in-vitro FIEFRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(C)O ZINC000012480556 220000254 /nfs/dbraw/zinc/00/02/54/220000254.db2.gz UQVKMBXGBQPSIA-CARAORCDSA-N 0 0 374.521 4.201 1 30 FIEFRN O=C(C=Cc1ccccc1)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000013732228 220091284 /nfs/dbraw/zinc/09/12/84/220091284.db2.gz OHOVLBYFGZHAMC-OUKQBFOZSA-N 0 0 356.377 4.057 1 30 FIEFRN C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CC/C=C(\C)[C@@H]2OC(C)=O ZINC000015161916 220148630 /nfs/dbraw/zinc/14/86/30/220148630.db2.gz YMKLZOPPOGQOLH-FJSKMCBKSA-N 0 0 374.477 4.030 1 30 FIEFRN CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040861259 220923047 /nfs/dbraw/zinc/92/30/47/220923047.db2.gz VUKCXZFVJUVFFT-FLLPAOQRSA-N 0 0 371.437 4.305 1 30 FIEFRN CC(=NNC(=S)NC(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000059213978 221125364 /nfs/dbraw/zinc/12/53/64/221125364.db2.gz TYRXGZULJNTVHY-JLPGSUDCSA-N 0 0 360.486 4.471 1 30 FIEFRN O=C1C=C(N2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000071294800 221340322 /nfs/dbraw/zinc/34/03/22/221340322.db2.gz FPTDOJWIHSRCJM-UHFFFAOYSA-N 0 0 351.833 4.483 1 30 FIEFRN COc1cc(OC)c(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC000071329109 221343365 /nfs/dbraw/zinc/34/33/65/221343365.db2.gz RCBBBXFMYQKAIZ-OWKCIBLPSA-N 0 0 367.445 4.074 1 30 FIEFRN O=C1c2ccc(C#Cc3ccc(Cl)cc3)nc2CCN1C1CCCCC1 ZINC000071341623 221344942 /nfs/dbraw/zinc/34/49/42/221344942.db2.gz PRJVXFRTVSKMMY-UHFFFAOYSA-N 0 0 364.876 4.466 1 30 FIEFRN CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1C(=CNC)C(=O)OC ZINC000101271386 222266625 /nfs/dbraw/zinc/26/66/25/222266625.db2.gz SZMZOOCQPQRQOM-XSIUIEMPSA-N 0 0 367.493 4.230 1 30 FIEFRN Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=O)c1 ZINC000103259632 222329015 /nfs/dbraw/zinc/32/90/15/222329015.db2.gz AVJMXBFLDDLUOG-UHFFFAOYSA-N 0 0 356.385 4.271 1 30 FIEFRN COc1cc2c(c(OC)c1)C(=O)C(=Cc1ccc(Br)cc1)N2 ZINC000102155506 222291471 /nfs/dbraw/zinc/29/14/71/222291471.db2.gz VUPMQQDOLJCURO-AUWJEWJLSA-N 0 0 360.207 4.116 1 30 FIEFRN CCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC(=O)[O-])O1 ZINC000014128027 717110164 /nfs/dbraw/zinc/11/01/64/717110164.db2.gz JLNVGCLYVYILNI-CTNGQTDRSA-O 0 0 372.570 4.326 1 30 FIEFRN