smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 ZINC000001532403 571679891 /nfs/dbraw/zinc/67/98/91/571679891.db2.gz XDSYKASBVOZOAG-PIKOESSRSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=CC[C@@H]3[C@@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000001532409 571680207 /nfs/dbraw/zinc/68/02/07/571680207.db2.gz HOFSYSONRIGEAC-WTGUMLROSA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O ZINC000001711826 560184239 /nfs/dbraw/zinc/18/42/39/560184239.db2.gz HUMGJQLBBAYPNM-HXUWFJFHSA-N 0 0 298.426 5.106 1 30 biogenic,in-vitro CKEFRN C=C(C)CCN(C(=O)OC(C)(C)C)c1cc(C(C)C)co1 ZINC000001863641 169761244 /nfs/dbraw/zinc/76/12/44/169761244.db2.gz RPKIMSLGSAWRJJ-UHFFFAOYSA-N 0 0 293.407 5.111 1 30 CKEFRN C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1 ZINC000002039323 560186125 /nfs/dbraw/zinc/18/61/25/560186125.db2.gz VCOVNILQQQZROK-RAUXBKROSA-N 0 0 272.476 6.142 1 30 in-vitro CKEFRN C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000002574369 560188128 /nfs/dbraw/zinc/18/81/28/560188128.db2.gz CECREIRZLPLYDM-PIKOESSRSA-N 0 0 290.491 5.502 1 30 biogenic,in-vitro CKEFRN C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000003153997 560188526 /nfs/dbraw/zinc/18/85/26/560188526.db2.gz IGGWKHQYMAJOHK-XIHRTOKZSA-N 0 0 290.491 5.743 1 30 in-vitro CKEFRN C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000003153998 560188588 /nfs/dbraw/zinc/18/85/88/560188588.db2.gz IGGWKHQYMAJOHK-CZKCSJLSSA-N 0 0 290.491 5.743 1 30 in-vitro CKEFRN Cc1ccc(/C=N/c2ccc(C(C)(C)C)cc2)s1 ZINC000003233910 169870298 /nfs/dbraw/zinc/87/02/98/169870298.db2.gz CLPNREJPSOOMBL-GZTJUZNOSA-N 0 0 257.402 5.105 1 30 CKEFRN [N-]=[N+]=NC1=C(c2ccccc2)C(=O)c2cccc3cccc1c32 ZINC000003958412 169926721 /nfs/dbraw/zinc/92/67/21/169926721.db2.gz JPYRTXRWUHGFIC-UHFFFAOYSA-N 0 0 297.317 5.215 1 30 CKEFRN Clc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1 ZINC000004923700 170041799 /nfs/dbraw/zinc/04/17/99/170041799.db2.gz YSGZRCUJNVXPRL-CAOOACKPSA-N 0 0 299.588 5.093 1 30 CKEFRN C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000005295473 170083963 /nfs/dbraw/zinc/08/39/63/170083963.db2.gz IGGWKHQYMAJOHK-LWASTNQWSA-N 0 0 290.491 5.743 1 30 in-vitro CKEFRN C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000005295480 170084235 /nfs/dbraw/zinc/08/42/35/170084235.db2.gz IGGWKHQYMAJOHK-PRHYDEJPSA-N 0 0 290.491 5.743 1 30 in-vitro CKEFRN CCCCCC#CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000005782296 170139831 /nfs/dbraw/zinc/13/98/31/170139831.db2.gz WNHSZEDZLLRHMD-BRWVUGGUSA-N 0 0 250.426 5.005 1 30 CKEFRN CC(C)=C1C(=O)C[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 ZINC000005831583 170144696 /nfs/dbraw/zinc/14/46/96/170144696.db2.gz YETBHHZORHIONL-UJFAQGLRSA-N 0 0 286.459 5.775 1 30 CKEFRN O=C(/C=C\c1ccccc1-c1ccccc1)c1ccccc1 ZINC000006002458 170167278 /nfs/dbraw/zinc/16/72/78/170167278.db2.gz QNCVIMGJHDEDAS-NXVVXOECSA-N 0 0 284.358 5.250 1 30 CKEFRN Cc1ccc(C=NNc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000006472503 170204075 /nfs/dbraw/zinc/20/40/75/170204075.db2.gz RTSFTPDWEBOVKK-GIJQJNRQSA-N 0 0 293.197 5.056 1 30 CKEFRN N#Cc1ccn2c(cc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000006582577 170215843 /nfs/dbraw/zinc/21/58/43/170215843.db2.gz SRBISUSPVKNWPW-UHFFFAOYSA-N 0 0 294.357 5.145 1 30 CKEFRN Cc1sc(/N=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C ZINC000007778676 170301700 /nfs/dbraw/zinc/30/17/00/170301700.db2.gz IZLPTDVNUVRRLL-RGVLZGJSSA-N 0 0 296.439 5.285 1 30 CKEFRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C=O ZINC000012495333 571694451 /nfs/dbraw/zinc/69/44/51/571694451.db2.gz IZJRIIWUSIGEAJ-GUDVDZBRSA-N 0 0 282.512 6.261 1 30 endogenous,in-man CKEFRN CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C=O ZINC000012495345 571694469 /nfs/dbraw/zinc/69/44/69/571694469.db2.gz IZJRIIWUSIGEAJ-CEXWTWQISA-N 0 0 282.512 6.261 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C=O)[C@@H]1CC2 ZINC000013301805 571696072 /nfs/dbraw/zinc/69/60/72/571696072.db2.gz MDWQSNIQXHNTCK-UFYCRDLUSA-N 0 0 286.459 5.465 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@](C)(C=O)[C@@H]1CC2 ZINC000013301809 571696069 /nfs/dbraw/zinc/69/60/69/571696069.db2.gz MDWQSNIQXHNTCK-ZCNNSNEGSA-N 0 0 286.459 5.465 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@](C)(C=O)[C@@H]1CC2 ZINC000013301811 571695991 /nfs/dbraw/zinc/69/59/91/571695991.db2.gz MDWQSNIQXHNTCK-XUVXKRRUSA-N 0 0 286.459 5.465 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 ZINC000013301894 574413089 /nfs/dbraw/zinc/41/30/89/574413089.db2.gz HOFSYSONRIGEAC-YSTOQKLRSA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C=O)CCC[C@]21C ZINC000013302990 560214005 /nfs/dbraw/zinc/21/40/05/560214005.db2.gz YCLCHPWRGSDZKL-HSALFYBXSA-N 0 0 284.443 5.019 1 30 in-vitro CKEFRN CC(C)C1=CC=C2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000013302997 170542564 /nfs/dbraw/zinc/54/25/64/170542564.db2.gz LIYZCWXRVNEQMR-FXAWDEMLSA-N 0 0 284.443 5.241 1 30 CKEFRN C=C1CC/C=C(\C)Cc2occ3c2C(C)(C)[C@@H](CC3)CC1 ZINC000013385176 170547447 /nfs/dbraw/zinc/54/74/47/170547447.db2.gz MHENRDVDYDHIBZ-SXKJYUOZSA-N 0 0 284.443 5.739 1 30 CKEFRN C=C1CC/C=C(\C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C ZINC000013385182 170547510 /nfs/dbraw/zinc/54/75/10/170547510.db2.gz BVJVBWNCZZIHMV-ZGOKVMRMSA-N 0 0 288.475 5.567 1 30 CKEFRN C=C[C@@]1(C)CCC=C2[C@H]1CC[C@@H]1[C@](C)(CO)CCC[C@@]21C ZINC000013539355 170560457 /nfs/dbraw/zinc/56/04/57/170560457.db2.gz CUTPENJABFLFPT-LGKHCZOZSA-N 0 0 288.475 5.114 1 30 CKEFRN C#C[C@H](O)/C=C/CCCCCCCCCCCCCCC ZINC000014254334 170628981 /nfs/dbraw/zinc/62/89/81/170628981.db2.gz MQUXQBHHZDPZOB-PKTISDMASA-N 0 0 292.507 6.018 1 30 CKEFRN CC(C)C1=CC2=CC[C@H]3[C@@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000014410389 571705262 /nfs/dbraw/zinc/70/52/62/571705262.db2.gz HOFSYSONRIGEAC-WCIQWLHISA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000014410392 571705289 /nfs/dbraw/zinc/70/52/89/571705289.db2.gz HOFSYSONRIGEAC-ZRNYENFQSA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=CC[C@H]3[C@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000014410396 571705245 /nfs/dbraw/zinc/70/52/45/571705245.db2.gz HOFSYSONRIGEAC-FYQPLNBISA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN C=C[C@@](C)(O)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C ZINC000014655008 571718000 /nfs/dbraw/zinc/71/80/00/571718000.db2.gz IQDXAJNQKSIPGB-XWMGZXJBSA-N 0 0 290.491 6.123 1 30 endogenous,in-man CKEFRN CC(=O)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000014822741 170646683 /nfs/dbraw/zinc/64/66/83/170646683.db2.gz WFIQWFJWGZPVFS-RNPYNJAESA-N 0 0 278.436 5.034 1 30 CKEFRN C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12 ZINC000014928154 571728315 /nfs/dbraw/zinc/72/83/15/571728315.db2.gz YBDUXZKWDIUNSG-OBKDMQGPSA-N 0 0 290.491 5.502 1 30 endogenous,in-man CKEFRN C=C[C@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12 ZINC000014928155 571728624 /nfs/dbraw/zinc/72/86/24/571728624.db2.gz YBDUXZKWDIUNSG-YHDCXSKOSA-N 0 0 290.491 5.502 1 30 endogenous,in-man CKEFRN C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]21 ZINC000014928157 571728605 /nfs/dbraw/zinc/72/86/05/571728605.db2.gz YBDUXZKWDIUNSG-SLHNCBLASA-N 0 0 290.491 5.502 1 30 endogenous,in-man CKEFRN C=C[C@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@H]21 ZINC000014928159 571728600 /nfs/dbraw/zinc/72/86/00/571728600.db2.gz YBDUXZKWDIUNSG-WPVAHCMFSA-N 0 0 290.491 5.502 1 30 endogenous,in-man CKEFRN CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 ZINC000014961116 581095300 /nfs/dbraw/zinc/09/53/00/581095300.db2.gz JOWYBLIPWAMIHM-UHFFFAOYSA-N 0 0 298.426 6.088 1 30 in-vivo CKEFRN CCC/C=C/CCCCC=CC(=O)NCC(C)C ZINC000015146066 571732834 /nfs/dbraw/zinc/73/28/34/571732834.db2.gz JNPRQUIWDVDHIT-GYIPPJPDSA-N 0 0 251.414 5.072 1 30 endogenous,in-man CKEFRN COC(=O)CCCCCCCCCCCCCCC#N ZINC000015274017 571739144 /nfs/dbraw/zinc/73/91/44/571739144.db2.gz NWDLYWNGKGFCQE-UHFFFAOYSA-N 0 0 281.440 5.144 1 30 endogenous,in-man CKEFRN C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000015955448 560094368 /nfs/dbraw/zinc/09/43/68/560094368.db2.gz JTWQQJDENGGSBJ-HNBVOPMISA-N 0 0 290.491 5.502 1 30 biogenic,in-man CKEFRN C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000015955449 560094376 /nfs/dbraw/zinc/09/43/76/560094376.db2.gz JTWQQJDENGGSBJ-ONCXSQPRSA-N 0 0 290.491 5.502 1 30 biogenic,in-man CKEFRN C=CC[C@@]1(C)CCCCCCCCC[C@@](C)(CC=C)C1=O ZINC000017250182 170730865 /nfs/dbraw/zinc/73/08/65/170730865.db2.gz SDWQRGAGGRZOHA-BGYRXZFFSA-N 0 0 290.491 6.245 1 30 CKEFRN [N-]=[N+]=Nc1c2ccccc2nc(Cl)c1-c1ccccc1 ZINC000017253752 170731352 /nfs/dbraw/zinc/73/13/52/170731352.db2.gz HYVQFVOAQXURAR-UHFFFAOYSA-N 0 0 280.718 5.497 1 30 CKEFRN C=CC[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000026155308 171473336 /nfs/dbraw/zinc/47/33/36/171473336.db2.gz UUURDKSGECDKAX-LSTDLKDCSA-N 0 0 276.464 5.112 1 30 CKEFRN CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 ZINC000026579858 171494076 /nfs/dbraw/zinc/49/40/76/171494076.db2.gz QJCQEAQHBMKTCT-UHFFFAOYSA-N 0 0 290.497 5.199 1 30 CKEFRN C=C[C@]1(C)CCC=C2[C@H]1CC[C@@H]1[C@](C)(CO)CCC[C@@]21C ZINC000026968998 171504584 /nfs/dbraw/zinc/50/45/84/171504584.db2.gz CUTPENJABFLFPT-XLSIIYIISA-N 0 0 288.475 5.114 1 30 CKEFRN C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]23C)C1 ZINC000027099820 171507647 /nfs/dbraw/zinc/50/76/47/171507647.db2.gz YSFNIVKHYKBKHI-HTDHLNIYSA-N 0 0 288.475 5.114 1 30 CKEFRN Cc1cc(C#N)sc1-c1ccc2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000027416049 171516917 /nfs/dbraw/zinc/51/69/17/171516917.db2.gz RSVKCRGCARHPAC-LBPRGKRZSA-N 0 0 296.439 5.293 1 30 CKEFRN C=CCOC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000027991307 171542426 /nfs/dbraw/zinc/54/24/26/171542426.db2.gz DMUYRTYBVBHECQ-GIROIBLESA-N 0 0 276.420 5.135 1 30 CKEFRN C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1 ZINC000028648738 560091663 /nfs/dbraw/zinc/09/16/63/560091663.db2.gz BLRQCWSOICYRPH-VDWQKOAOSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=C[C@]12CCC(C)=CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 ZINC000028950302 581094715 /nfs/dbraw/zinc/09/47/15/581094715.db2.gz PPGVWCDLIZEUNC-PXQJOHHUSA-N 0 0 298.470 5.032 1 30 CKEFRN C=C[C@]12CCC(=C)C=C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 ZINC000028950315 171581288 /nfs/dbraw/zinc/58/12/88/171581288.db2.gz AIAPWABHNBRBRB-PXQJOHHUSA-N 0 0 298.470 5.032 1 30 CKEFRN Cc1ccc(-c2csc(N=NC3CCC[C@H](C)C3)n2)cc1 ZINC000028951725 171581686 /nfs/dbraw/zinc/58/16/86/171581686.db2.gz YEYYXLNUWDBKDV-FDXCNZBMSA-N 0 0 299.443 5.097 1 30 CKEFRN C=C[C@@]1(C)CCC2=C(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1 ZINC000028968205 171582349 /nfs/dbraw/zinc/58/23/49/171582349.db2.gz UPEXJUYHODZFMO-QGZVKYPTSA-N 0 0 288.475 5.256 1 30 biogenic,in-vitro CKEFRN C=CC[C@H](Nc1ccc(Cl)cc1)c1ccsc1 ZINC000029058058 171585323 /nfs/dbraw/zinc/58/53/23/171585323.db2.gz NZULPZJFDLJJCJ-AWEZNQCLSA-N 0 0 263.793 5.131 1 30 CKEFRN C=CC[C@@H](Nc1ccc(Cl)cc1)c1ccsc1 ZINC000029058063 171585289 /nfs/dbraw/zinc/58/52/89/171585289.db2.gz NZULPZJFDLJJCJ-CQSZACIVSA-N 0 0 263.793 5.131 1 30 CKEFRN C=C[C@@](C)(C=Cc1ccc2oc(=O)[nH]c2c1)CCC=C(C)C ZINC000029061697 171585098 /nfs/dbraw/zinc/58/50/98/171585098.db2.gz NPFVBSGFGUHERJ-FMAYLGMYSA-N 0 0 297.398 5.073 1 30 CKEFRN C=C[C@](C)(CCC=C(C)C)C[C@H](O)c1ccc(OC)cc1 ZINC000029063057 171585290 /nfs/dbraw/zinc/58/52/90/171585290.db2.gz MWBAUAVSLVLMCV-RBUKOAKNSA-N 0 0 288.431 5.057 1 30 CKEFRN CC(/C=C/C[C@H](C)CCCC(C)C)=C\C(=O)CC(C)C ZINC000029309734 171592941 /nfs/dbraw/zinc/59/29/41/171592941.db2.gz QVLXRBCKKLJKEV-IWHRFIAGSA-N 0 0 278.480 5.957 1 30 CKEFRN CC(/C=C/C[C@@H](C)CCCC(C)C)=C\C(=O)CC(C)C ZINC000029309740 171592982 /nfs/dbraw/zinc/59/29/82/171592982.db2.gz QVLXRBCKKLJKEV-DZGBGCPGSA-N 0 0 278.480 5.957 1 30 CKEFRN CCCC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC ZINC000029309869 171593009 /nfs/dbraw/zinc/59/30/09/171593009.db2.gz KERRDTAJVWEFTN-PTJNELJQSA-N 0 0 294.479 5.480 1 30 CKEFRN COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)SC ZINC000029314517 171593314 /nfs/dbraw/zinc/59/33/14/171593314.db2.gz QNDDEAPHQQOCCX-SIPCROHCSA-N 0 0 298.492 5.000 1 30 CKEFRN CCC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC ZINC000029316191 171593158 /nfs/dbraw/zinc/59/31/58/171593158.db2.gz VJQMYEROTZGZKU-KSTBUPHCSA-N 0 0 280.452 5.090 1 30 CKEFRN C=CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C ZINC000029316773 171593165 /nfs/dbraw/zinc/59/31/65/171593165.db2.gz ZAYPJJYTQQTUJX-DVAVMXAFSA-N 0 0 294.504 5.787 1 30 CKEFRN C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1 ZINC000032090371 560089445 /nfs/dbraw/zinc/08/94/45/560089445.db2.gz YSFNIVKHYKBKHI-VRCPBSEVSA-N 0 0 288.475 5.114 1 30 biogenic,in-vitro CKEFRN CCCC#CCCCCCCCCCCCCO ZINC000032226451 571743751 /nfs/dbraw/zinc/74/37/51/571743751.db2.gz DZJZIJZUKAATIV-UHFFFAOYSA-N 0 0 252.442 5.073 1 30 endogenous,in-man CKEFRN C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000032298760 560089244 /nfs/dbraw/zinc/08/92/44/560089244.db2.gz NKSHQAKXEWNSPC-ABSDTBQOSA-N 0 0 286.459 5.487 1 30 biogenic,in-vitro CKEFRN CCCCCCCC[C@@H]1OCCC[C@@H]1CCCCCCC ZINC000032788659 560089071 /nfs/dbraw/zinc/08/90/71/560089071.db2.gz RZWIIPASKMUIAC-PMACEKPBSA-N 0 0 296.539 6.893 1 30 biogenic,in-vitro CKEFRN CCCCCCCC[C@@H]1OCCC[C@H]1CCCCCCC ZINC000032788669 560089104 /nfs/dbraw/zinc/08/91/04/560089104.db2.gz RZWIIPASKMUIAC-UXHICEINSA-N 0 0 296.539 6.893 1 30 biogenic,in-vitro CKEFRN CCCCCCCC[C@H]1OCCC[C@H]1CCCCCCC ZINC000032788671 560089081 /nfs/dbraw/zinc/08/90/81/560089081.db2.gz RZWIIPASKMUIAC-WOJBJXKFSA-N 0 0 296.539 6.893 1 30 biogenic,in-vitro CKEFRN CC/C=C/C/C=C/C/C=C/CCCCCCCC=O ZINC000033820581 290882217 /nfs/dbraw/zinc/88/22/17/290882217.db2.gz TUCMDDWTBVMRTP-IUQGRGSQSA-N 0 0 262.437 5.775 1 30 biogenic,in-vitro CKEFRN C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)CO ZINC000033830289 290880513 /nfs/dbraw/zinc/88/05/13/290880513.db2.gz KDNYVXLYMQKQHH-YHYHFWBWSA-N 0 0 288.475 5.280 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2C[C@H](O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 ZINC000033832417 290881550 /nfs/dbraw/zinc/88/15/50/290881550.db2.gz ISJKCFIDNXQWFE-VDWQKOAOSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(CO)CCC[C@@]3(C)[C@@H]2CC1 ZINC000033833316 171822058 /nfs/dbraw/zinc/82/20/58/171822058.db2.gz JEOZUAHPKAVXSF-SLHNCBLASA-N 0 0 288.475 5.114 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1 ZINC000033833594 290881553 /nfs/dbraw/zinc/88/15/53/290881553.db2.gz JEOZUAHPKAVXSF-VYJAJWGXSA-N 0 0 288.475 5.114 1 30 biogenic,in-vitro CKEFRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 ZINC000033950340 574414132 /nfs/dbraw/zinc/41/41/32/574414132.db2.gz HOFSYSONRIGEAC-ZGXWSNOMSA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO ZINC000034285984 290881015 /nfs/dbraw/zinc/88/10/15/290881015.db2.gz NERNKRPBSOBEHC-KSAZJLBOSA-N 0 0 290.491 5.504 1 30 biogenic,in-vitro CKEFRN CC(C)=C1CCC2=C(CC[C@H]3[C@](C)(C=O)CCC[C@]23C)C1 ZINC000034332564 171837106 /nfs/dbraw/zinc/83/71/06/171837106.db2.gz HDUMWSYHQXDOBY-SLFFLAALSA-N 0 0 286.459 5.609 1 30 CKEFRN CCCC[C@]12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 ZINC000034633766 581093303 /nfs/dbraw/zinc/09/33/03/581093303.db2.gz UZDRXGWOSNDZDM-FQEVSTJZSA-N 0 0 298.426 5.042 1 30 CKEFRN CCCC[C@@]12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 ZINC000034633767 581093283 /nfs/dbraw/zinc/09/32/83/581093283.db2.gz UZDRXGWOSNDZDM-HXUWFJFHSA-N 0 0 298.426 5.042 1 30 CKEFRN C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1 ZINC000034827322 171880668 /nfs/dbraw/zinc/88/06/68/171880668.db2.gz KEOMEGAHKSPEBP-VWTPCSIPSA-N 0 0 288.475 5.973 1 30 CKEFRN C=C[C@@]1(C)CC[C@]2(C)[C@H]3CCC(=O)C(=C)[C@@]3(C)CC[C@H]2C1 ZINC000035786642 290881552 /nfs/dbraw/zinc/88/15/52/290881552.db2.gz VUBBVVYLKRSKAR-XCZFOBESSA-N 0 0 286.459 5.321 1 30 biogenic,in-vitro CKEFRN CC(C)=C1C(=O)C[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12 ZINC000038922449 174159446 /nfs/dbraw/zinc/15/94/46/174159446.db2.gz YETBHHZORHIONL-SYRRJQNTSA-N 0 0 286.459 5.775 1 30 CKEFRN C=C[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C ZINC000038957833 174160285 /nfs/dbraw/zinc/16/02/85/174160285.db2.gz FMOXSNJSHYESRI-FYIGHOIKSA-N 0 0 296.454 5.354 1 30 CKEFRN C=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)CC[C@H](O)[C@@]3(C)[C@@H]2CC1 ZINC000038981494 174161002 /nfs/dbraw/zinc/16/10/02/174161002.db2.gz FYBCOTZHIIDSOQ-VROUVPMXSA-N 0 0 288.475 5.112 1 30 CKEFRN C=C[C@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3C(=C)[C@H](C)CC[C@@]32C)O1 ZINC000039045791 174162046 /nfs/dbraw/zinc/16/20/46/174162046.db2.gz SMOMBYDUUJOWKC-ZIDVSRPDSA-N 0 0 288.475 5.519 1 30 CKEFRN C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000040163579 290881011 /nfs/dbraw/zinc/88/10/11/290881011.db2.gz ONVABDHFQKWOSV-NIMBFUQJSA-N 0 0 272.476 5.975 1 30 biogenic,in-man CKEFRN C=C[C@H]1[C@@H](C)CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]12O ZINC000040379119 174250237 /nfs/dbraw/zinc/25/02/37/174250237.db2.gz CTIPZSOTSWIOPT-YSFZOSMKSA-N 0 0 290.491 5.192 1 30 CKEFRN C=C(C)/C=C/[C@]12C[C@H](C)[C@H]3CC[C@](C)(C#N)[C@@H](CC[C@H]1C)[C@@H]32 ZINC000040394183 174252694 /nfs/dbraw/zinc/25/26/94/174252694.db2.gz SSFDJDHBZVHNKM-SSBPHEBUSA-N 0 0 297.486 5.747 1 30 CKEFRN C[C@H]1C[C@H]2CC(C)(C)C=C3CC[C@H]4[C@@H]([C@@H]1CC[C@]4(C)C#N)[C@@H]32 ZINC000040395146 174252652 /nfs/dbraw/zinc/25/26/52/174252652.db2.gz YAYDQYHMMNESNH-CFYDALQJSA-N 0 0 297.486 5.581 1 30 CKEFRN CC1=C[C@@H]2C[C@H](C)[C@H]3CC[C@](C)(C#N)[C@H]4CC[C@H]([C@@H]1C)[C@@H]2[C@H]34 ZINC000040395406 174252907 /nfs/dbraw/zinc/25/29/07/174252907.db2.gz IBAYMLMAQMYLOI-YWBXBGTBSA-N 0 0 297.486 5.437 1 30 CKEFRN CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CCC(C)=C1[C@H]23 ZINC000040395530 174252543 /nfs/dbraw/zinc/25/25/43/174252543.db2.gz RBUNFUSZHCJPFL-GIADRTNZSA-N 0 0 297.486 5.891 1 30 CKEFRN CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CC=C(C)[C@@H]1[C@H]23 ZINC000040395593 174252864 /nfs/dbraw/zinc/25/28/64/174252864.db2.gz SUQFWVZYUFDVKT-QJZPXWABSA-N 0 0 297.486 5.747 1 30 CKEFRN CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CC=C(C)[C@@H]1[C@@H]23 ZINC000040395661 174252762 /nfs/dbraw/zinc/25/27/62/174252762.db2.gz SUQFWVZYUFDVKT-QGVNFLHTSA-N 0 0 297.486 5.747 1 30 CKEFRN C=C[C@@]1(C)CC[C@H](/C(C)=C/C[C@H]2OC2(C)C)C[C@@H]1C(=C)C ZINC000040408830 174254193 /nfs/dbraw/zinc/25/41/93/174254193.db2.gz PLMPUHCOGGTVIR-JZXJGBJOSA-N 0 0 288.475 5.685 1 30 CKEFRN Cc1ccc(-c2csc(N=NC3CCCC[C@@H]3C)n2)cc1 ZINC000040424149 174258364 /nfs/dbraw/zinc/25/83/64/174258364.db2.gz OPFWPVHEWFRTHC-XEMYWUMJSA-N 0 0 299.443 5.097 1 30 CKEFRN Cc1ccc(-c2csc(N=NC3CCCC[C@H]3C)n2)cc1 ZINC000040424150 174258313 /nfs/dbraw/zinc/25/83/13/174258313.db2.gz OPFWPVHEWFRTHC-YSYRGXBVSA-N 0 0 299.443 5.097 1 30 CKEFRN C=C1CCC[C@H]2[C@](C)(CCC(C)=O)[C@@H](C)CC[C@]12C ZINC000040879017 174427200 /nfs/dbraw/zinc/42/72/00/174427200.db2.gz NKFFXNLIDWNGAG-DZOHQFGASA-N 0 0 262.437 5.154 1 30 CKEFRN C=C1CC[C@H]2[C@H]3[C@H](CC[C@]2(C)C#N)[C@@H](C)C[C@H](C=C(C)C)[C@H]13 ZINC000040894412 174428911 /nfs/dbraw/zinc/42/89/11/174428911.db2.gz FVLMFTXDYSOHDO-LGTVQRIOSA-N 0 0 297.486 5.747 1 30 CKEFRN CC1=C(/C=C/C(=O)/C=C/c2ccc(F)cc2)C(C)(C)CCC1 ZINC000040898749 174429482 /nfs/dbraw/zinc/42/94/82/174429482.db2.gz CWXSUUAEFSOEDF-OWKCIBLPSA-N 0 0 298.401 5.491 1 30 CKEFRN CC1=C(/C=C/C(=O)/C=C/c2ccccc2F)C(C)(C)CCC1 ZINC000040900506 174429536 /nfs/dbraw/zinc/42/95/36/174429536.db2.gz YUJVQNFECKAFFQ-AQASXUMVSA-N 0 0 298.401 5.491 1 30 CKEFRN CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1ccccc1F ZINC000040915035 174433509 /nfs/dbraw/zinc/43/35/09/174433509.db2.gz RXNSTHXWZJENSM-JDTXGYCBSA-N 0 0 298.401 5.347 1 30 CKEFRN Cc1ccc(C)c(/C=C/C(=O)/C=C/c2cc(C)ccc2C)c1 ZINC000040917799 174433415 /nfs/dbraw/zinc/43/34/15/174433415.db2.gz WWVYNVDDXVPREQ-WGDLNXRISA-N 0 0 290.406 5.216 1 30 CKEFRN C=C1CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000043322423 290881017 /nfs/dbraw/zinc/88/10/17/290881017.db2.gz ZPQHNIHJSIZREW-HKUYNNGSSA-N 0 0 254.417 5.370 1 30 endogenous,in-man CKEFRN CCCCCCC[C@]1(C)C=Cc2ccc(OC)cc2O1 ZINC000043394293 175034644 /nfs/dbraw/zinc/03/46/44/175034644.db2.gz KHZAPGBMXAQKQK-GOSISDBHSA-N 0 0 274.404 5.220 1 30 CKEFRN CCCCCCC[C@@]1(C)C=Cc2ccc(OC)cc2O1 ZINC000043394296 175035044 /nfs/dbraw/zinc/03/50/44/175035044.db2.gz KHZAPGBMXAQKQK-SFHVURJKSA-N 0 0 274.404 5.220 1 30 CKEFRN C=C(C)[C@H]1CCC2(C[C@H]1CCC)C1CC3CC(C1)CC2C3 ZINC000043462769 175052239 /nfs/dbraw/zinc/05/22/39/175052239.db2.gz DYQIJNXBUDODDH-FATNNQDHSA-N 0 0 286.503 6.221 1 30 CKEFRN C=C(C)[C@@H]1CCC2(C[C@H]1CCC)C1CC3CC(C1)CC2C3 ZINC000043462772 175052049 /nfs/dbraw/zinc/05/20/49/175052049.db2.gz DYQIJNXBUDODDH-YETXIRRSSA-N 0 0 286.503 6.221 1 30 CKEFRN CCCCCCCCCNc1ccccc1-c1ccccc1 ZINC000043640849 175084490 /nfs/dbraw/zinc/08/44/90/175084490.db2.gz FWQFBAHKZAFXSW-UHFFFAOYSA-N 0 0 295.470 6.516 1 30 CKEFRN CCCCCCCCCNc1ccc(-c2ccccc2)cc1 ZINC000043640851 175084668 /nfs/dbraw/zinc/08/46/68/175084668.db2.gz DTPIBVKUKNKMTD-UHFFFAOYSA-N 0 0 295.470 6.516 1 30 CKEFRN CCCCCCCCNc1cccc(-c2ccccc2)c1 ZINC000043640855 175084413 /nfs/dbraw/zinc/08/44/13/175084413.db2.gz DGMIQXZYWGHJRM-UHFFFAOYSA-N 0 0 281.443 6.126 1 30 CKEFRN CCCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000043640893 175084455 /nfs/dbraw/zinc/08/44/55/175084455.db2.gz BPYUZXVZEHSJJE-UHFFFAOYSA-N 0 0 295.426 5.653 1 30 CKEFRN CCCCCCCCCNc1cccc(-c2ccccc2)c1 ZINC000043641010 175084736 /nfs/dbraw/zinc/08/47/36/175084736.db2.gz JUSKNUJWBCEVLC-UHFFFAOYSA-N 0 0 295.470 6.516 1 30 CKEFRN CCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000044146155 175146499 /nfs/dbraw/zinc/14/64/99/175146499.db2.gz QGLIOZWEZFJIQS-UHFFFAOYSA-N 0 0 295.426 5.653 1 30 CKEFRN C[C@@H](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc21 ZINC000044247025 175156344 /nfs/dbraw/zinc/15/63/44/175156344.db2.gz BVKVOBLSRDPEJW-QWNKOJSDSA-N 0 0 290.450 6.014 1 30 CKEFRN C[C@H](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc21 ZINC000044247027 175156519 /nfs/dbraw/zinc/15/65/19/175156519.db2.gz BVKVOBLSRDPEJW-DUMMIQTOSA-N 0 0 290.450 6.014 1 30 CKEFRN CCCCCCCC/C=C\CCCC[C@@H]1CCC(=O)O1 ZINC000044306560 290883269 /nfs/dbraw/zinc/88/32/69/290883269.db2.gz MFJQEKNPFKHQHP-DOOKAGJSSA-N 0 0 280.452 5.559 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCCCC[S@@](=N)(=O)CCC ZINC000044323294 175163220 /nfs/dbraw/zinc/16/32/20/175163220.db2.gz XZBHVAOEQCOJKB-IBGZPJMESA-N 0 0 289.529 5.754 1 30 CKEFRN CCCCCCCCCC[C@H](C)/C=C(C)/C=C/C(=O)OC ZINC000044361849 175167186 /nfs/dbraw/zinc/16/71/86/175167186.db2.gz VXPTXRWPFJYJDX-VRLPKRMESA-N 0 0 294.479 5.829 1 30 CKEFRN C=C(C)[C@H](CC)CCCCCCCCCCCCCC ZINC000044386729 175170095 /nfs/dbraw/zinc/17/00/95/175170095.db2.gz FKAXWIGMLUBWHV-HXUWFJFHSA-N 0 0 280.540 7.680 1 30 CKEFRN C=C(C)[C@@H](CC)CCCCCCCCCCCCCC ZINC000044386732 175169979 /nfs/dbraw/zinc/16/99/79/175169979.db2.gz FKAXWIGMLUBWHV-FQEVSTJZSA-N 0 0 280.540 7.680 1 30 CKEFRN N#Cc1c2ccccc2sc1-c1ccc2ccccc2c1 ZINC000045349158 175361681 /nfs/dbraw/zinc/36/16/81/175361681.db2.gz MIOJORAETRRBIU-UHFFFAOYSA-N 0 0 285.371 5.593 1 30 CKEFRN Cc1ccc(/C=C/C(=O)/C=C/c2ccc(C)cc2C)c(C)c1 ZINC000049072839 525947570 /nfs/dbraw/zinc/94/75/70/525947570.db2.gz IPTBRZKKULENLX-WGDLNXRISA-N 0 0 290.406 5.216 1 30 CKEFRN C=C1C=C2C(=C(C)[C@H]3CC=C(C)C[C@H]3[C@H]2C(C)C)CC1 ZINC000059586621 290880563 /nfs/dbraw/zinc/88/05/63/290880563.db2.gz CBAMIIPKRBIWEN-RLLQIKCJSA-N 0 0 268.444 5.838 1 30 biogenic,in-vitro CKEFRN CC/C=C/CCCCCCCCCCCCCCCC ZINC000060107603 560082083 /nfs/dbraw/zinc/08/20/83/560082083.db2.gz AKTLQTMAOYZJGI-FNORWQNLSA-N 0 0 280.540 7.824 1 30 biogenic CKEFRN CCCC/C=C/CCCCCCCCCCCC ZINC000060107606 290882657 /nfs/dbraw/zinc/88/26/57/290882657.db2.gz YIYQJOMDMPTKEL-PKNBQFBNSA-N 0 0 252.486 7.044 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000060151990 290883384 /nfs/dbraw/zinc/88/33/84/290883384.db2.gz NZPVJNJHHDLBCQ-UHFFFAOYSA-N 0 0 262.393 5.099 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCCCc1ccc(O)c(O)c1O ZINC000064447004 520015836 /nfs/dbraw/zinc/01/58/36/520015836.db2.gz AALDDVUYNHJZLY-UHFFFAOYSA-N 0 0 294.435 5.267 1 30 CKEFRN CCCCCCCC[C@@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 ZINC000068247252 520047366 /nfs/dbraw/zinc/04/73/66/520047366.db2.gz MDZZLCUFIGJZLT-MRXNPFEDSA-N 0 0 289.375 5.120 1 30 CKEFRN CCCCCCCC[C@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 ZINC000068247253 520047603 /nfs/dbraw/zinc/04/76/03/520047603.db2.gz MDZZLCUFIGJZLT-INIZCTEOSA-N 0 0 289.375 5.120 1 30 CKEFRN C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)O)[C@@]2(C)CCC=C(C)C ZINC000069481868 290881019 /nfs/dbraw/zinc/88/10/19/290881019.db2.gz GDDLDYAOHQKMAN-YRYYUTHUSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN CCCCCC/C=C/C/C=C/CCCCCCC(=O)OC ZINC000070454263 560048564 /nfs/dbraw/zinc/04/85/64/560048564.db2.gz IQTMIKSIMGHIIR-MVKOLZDDSA-N 0 0 294.479 5.973 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCCCCCC[C@H](O)[C@H](C)O ZINC000070454457 560048321 /nfs/dbraw/zinc/04/83/21/560048321.db2.gz QUADQLCGKXETIS-ROUUACIJSA-N 0 0 286.500 5.209 1 30 biogenic,in-vitro CKEFRN C=C(C)c1cc2c(c(C(=O)CC(C)C)c1)OC(C)(C)C=C2 ZINC000070454727 290880517 /nfs/dbraw/zinc/88/05/17/290880517.db2.gz AQEMCWFSACYYGU-UHFFFAOYSA-N 0 0 284.399 5.133 1 30 biogenic,in-vitro CKEFRN CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000070455180 290882794 /nfs/dbraw/zinc/88/27/94/290882794.db2.gz YBENVMAMNHOPRF-BBWFWOEESA-N 0 0 282.468 5.351 1 30 biogenic,in-vitro CKEFRN C=CCc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000070455182 560047569 /nfs/dbraw/zinc/04/75/69/560047569.db2.gz VTHQEGHKIDKAOM-IPELMVKDSA-N 0 0 272.432 5.255 1 30 biogenic,in-vitro CKEFRN CCCCCCC/C=C/c1cc(=O)c2ccccc2n1CC ZINC000071295703 176112057 /nfs/dbraw/zinc/11/20/57/176112057.db2.gz RBAGHSTXZBGDFN-JLHYYAGUSA-N 0 0 297.442 5.395 1 30 CKEFRN CCC(C#N)(CC)c1ccc(-c2ccccc2)c(F)c1 ZINC000071296725 176112018 /nfs/dbraw/zinc/11/20/18/176112018.db2.gz VNJCUAIJDZOYPP-UHFFFAOYSA-N 0 0 267.347 5.074 1 30 CKEFRN C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC=C2c1ccccc1 ZINC000071316174 176122011 /nfs/dbraw/zinc/12/20/11/176122011.db2.gz FRBVMKMMCCWGRZ-IRLDBZIGSA-N 0 0 286.418 5.974 1 30 CKEFRN CCCCCCCCn1c2ccccc2c2ccc(O)cc21 ZINC000072106458 176316618 /nfs/dbraw/zinc/31/66/18/176316618.db2.gz YKLDNHOPFKEADH-UHFFFAOYSA-N 0 0 295.426 5.861 1 30 CKEFRN CCCCCCCCC(=O)C(=O)CCCCCCCC ZINC000072107033 176316287 /nfs/dbraw/zinc/31/62/87/176316287.db2.gz YSDLVQIOIXINJC-UHFFFAOYSA-N 0 0 282.468 5.626 1 30 CKEFRN C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000072124305 176320283 /nfs/dbraw/zinc/32/02/83/176320283.db2.gz LOGCGPRBNXVHDX-ZCNNSNEGSA-N 0 0 272.476 6.452 1 30 in-vitro CKEFRN C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1 ZINC000072124306 176320409 /nfs/dbraw/zinc/32/04/09/176320409.db2.gz MVDYCHZUKVXVBG-SLFFLAALSA-N 0 0 272.476 6.452 1 30 in-vitro CKEFRN CCCCCCCC/C=C\CCCCCCC=O ZINC000072142496 176323734 /nfs/dbraw/zinc/32/37/34/176323734.db2.gz UZXKSNXOPFPOKK-KTKRTIGZSA-N 0 0 252.442 5.833 1 30 CKEFRN CCCCCCCCCCc1cn(Cc2ccccc2)nn1 ZINC000072179948 176334642 /nfs/dbraw/zinc/33/46/42/176334642.db2.gz QUQOYEQXTSAKAT-UHFFFAOYSA-N 0 0 299.462 5.010 1 30 CKEFRN CCCCCCCCCc1[nH]c2ccccc2c(=O)c1C ZINC000073163200 176457757 /nfs/dbraw/zinc/45/77/57/176457757.db2.gz WXEMUKVRWINVJS-UHFFFAOYSA-N 0 0 285.431 5.130 1 30 CKEFRN CCCCCCCCCCCCCP(=O)(OC)OC ZINC000073259171 176464005 /nfs/dbraw/zinc/46/40/05/176464005.db2.gz NAZJVRRWZYFXND-UHFFFAOYSA-N 0 0 292.400 5.783 1 30 CKEFRN CCCCCCCCCCCCCCCCC[C@@H](C)CC ZINC000078318487 290883273 /nfs/dbraw/zinc/88/32/73/290883273.db2.gz GZCXIMGMPAZPPM-NRFANRHFSA-N 0 0 296.583 8.294 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCCCCCC[C@H](CC)CCC ZINC000082189149 560046283 /nfs/dbraw/zinc/04/62/83/560046283.db2.gz LMKPWTVDPGYDOC-OAQYLSRUSA-N 0 0 296.583 8.294 1 30 biogenic,in-vitro CKEFRN C=C(CCC=C(C)C)[C@@H]1CCC=C(CCC=C(C)C)C1 ZINC000085489464 571781844 /nfs/dbraw/zinc/78/18/44/571781844.db2.gz OIRFZVJHADZVMD-HXUWFJFHSA-N 0 0 272.476 6.762 1 30 endogenous,in-man CKEFRN CCCCCCCCCCCCC[C@@H](COC)OCC ZINC000085493579 290883267 /nfs/dbraw/zinc/88/32/67/290883267.db2.gz IEBFKMCVLFMDFP-SFHVURJKSA-N 0 0 286.500 5.739 1 30 biogenic,in-vitro CKEFRN C=C1CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000085531041 290880549 /nfs/dbraw/zinc/88/05/49/290880549.db2.gz ZPQHNIHJSIZREW-PKOBYXMFSA-N 0 0 254.417 5.370 1 30 endogenous,in-man CKEFRN CCCCCCCC[C@H](CCCC)c1ccccc1 ZINC000085531491 290883922 /nfs/dbraw/zinc/88/39/22/290883922.db2.gz MZTIRLOLMGVVEK-SFHVURJKSA-N 0 0 260.465 6.711 1 30 biogenic,in-vitro CKEFRN CCCCCCCCC[C@@H](CCC)c1ccccc1 ZINC000085531505 290883399 /nfs/dbraw/zinc/88/33/99/290883399.db2.gz RZGVZPAWCGDMCK-GOSISDBHSA-N 0 0 260.465 6.711 1 30 biogenic,in-vitro CKEFRN CCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000085541467 290883413 /nfs/dbraw/zinc/88/34/13/290883413.db2.gz WPKSHCKNVIUZMF-UHFFFAOYSA-N 0 0 276.420 5.489 1 30 biogenic,in-vitro CKEFRN C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(C)C1CCCCC1 ZINC000085545059 290881020 /nfs/dbraw/zinc/88/10/20/290881020.db2.gz CCAOEVWDWKOAIX-QNYNDTLLSA-N 0 0 272.476 5.831 1 30 biogenic,in-vitro CKEFRN C=C1C[C@H]2C=C[C@]3(C[C@@H](C)C[C@H]13)[C@H]1[C@@H]2[C@@]1(C)CCC ZINC000085545061 290881016 /nfs/dbraw/zinc/88/10/16/290881016.db2.gz FDTBJAPFEAUWKP-CPDNBKQGSA-N 0 0 256.433 5.217 1 30 biogenic,in-vitro CKEFRN C=C1C=C2C3(CCCC3)CC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545297 290880555 /nfs/dbraw/zinc/88/05/55/290880555.db2.gz WKMRPCTUIWAAGC-QTUQIOHYSA-N 0 0 294.482 6.062 1 30 biogenic,in-vitro CKEFRN C=C1C=C2C3(CCCC3)CC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545306 290880523 /nfs/dbraw/zinc/88/05/23/290880523.db2.gz PUBDYWLCNINXPO-LKCYJCQHSA-N 0 0 270.460 5.751 1 30 biogenic,in-vitro CKEFRN C=C1C=C2CCC[C@H](C3CCCCC3)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545323 290880546 /nfs/dbraw/zinc/88/05/46/290880546.db2.gz VKQASLIMXISWDF-BNDYYXHWSA-N 0 0 284.487 6.142 1 30 biogenic,in-vitro CKEFRN C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000085547341 290880543 /nfs/dbraw/zinc/88/05/43/290880543.db2.gz SKACGHBFHPLYKX-YFHUEUNASA-N 0 0 274.448 5.107 1 30 biogenic,in-vitro CKEFRN C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547373 290881014 /nfs/dbraw/zinc/88/10/14/290881014.db2.gz VGBVUROPESYSGY-SWBPCFCJSA-N 0 0 288.475 5.497 1 30 biogenic,in-vitro CKEFRN CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)[C@@]3(C)C1CCCCC1 ZINC000085549750 560071909 /nfs/dbraw/zinc/07/19/09/560071909.db2.gz DCNBPHJBPGDXBN-MPRPZVOOSA-N 0 0 286.459 5.299 1 30 biogenic,in-vitro CKEFRN CCCCCC[C@@H]1CC[C@@H]2CC3=C(C)C(=O)C[C@@]31C2(C)C ZINC000085549755 560071880 /nfs/dbraw/zinc/07/18/80/560071880.db2.gz HXHCKBVSAAHDMV-QINHECLXSA-N 0 0 288.475 5.689 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H](CO)C3)C1 ZINC000085550174 290880004 /nfs/dbraw/zinc/88/00/04/290880004.db2.gz QDWQGUANFJRUEY-LFGUQSLTSA-N 0 0 286.459 5.034 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C3CC[C@H]4CC[C@]32C4)C1 ZINC000085550210 290880009 /nfs/dbraw/zinc/88/00/09/290880009.db2.gz MCMWKWRONDAWIK-NLEAXPPASA-N 0 0 282.471 6.206 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4CCC[C@]42C=CC(C)=C3C1 ZINC000085550217 290880020 /nfs/dbraw/zinc/88/00/20/290880020.db2.gz ZEAHEGYXHBMKQK-YXYSEUPNSA-N 0 0 280.455 5.982 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=CC23CCCC3)C1 ZINC000085550226 290880033 /nfs/dbraw/zinc/88/00/33/290880033.db2.gz XFGUNILNKVCSGM-SJLPKXTDSA-N 0 0 256.433 5.816 1 30 biogenic,in-vitro CKEFRN C=C(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)CCC[C@]21C ZINC000085558342 290880510 /nfs/dbraw/zinc/88/05/10/290880510.db2.gz IDIWSEBYUXIQLJ-UYAOXDASSA-N 0 0 268.444 5.750 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 ZINC000085599202 574416706 /nfs/dbraw/zinc/41/67/06/574416706.db2.gz XDSYKASBVOZOAG-HNJRGHQBSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 ZINC000085599204 574416723 /nfs/dbraw/zinc/41/67/23/574416723.db2.gz XDSYKASBVOZOAG-KVPLUYHFSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN C=C(C/C=C/C(C)C)CCC[C@H](C)c1ccc(C)cc1 ZINC000085644550 571786466 /nfs/dbraw/zinc/78/64/66/571786466.db2.gz KVCMFLFVCBKBMA-FNQPIQQGSA-N 0 0 270.460 6.427 1 30 endogenous,in-man CKEFRN C=C(C/C=C/C(C)C)CCC[C@@H](C)c1ccc(C)cc1 ZINC000085644554 571786394 /nfs/dbraw/zinc/78/63/94/571786394.db2.gz KVCMFLFVCBKBMA-ZLQZBKBYSA-N 0 0 270.460 6.427 1 30 endogenous,in-man CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 ZINC000085660462 179110556 /nfs/dbraw/zinc/11/05/56/179110556.db2.gz KZHMFCYCMBPVGZ-KQVVSONPSA-N 0 0 272.476 6.452 1 30 CKEFRN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 ZINC000085697884 290881012 /nfs/dbraw/zinc/88/10/12/290881012.db2.gz QXVXYNOIXUIXBI-RHGXJLFNSA-N 0 0 284.443 6.092 1 30 biogenic,in-vitro CKEFRN CCCCCCCC/C=C/CCCCCCC=O ZINC000085831846 179183718 /nfs/dbraw/zinc/18/37/18/179183718.db2.gz UZXKSNXOPFPOKK-MDZDMXLPSA-N 0 0 252.442 5.833 1 30 endogenous,in-man CKEFRN CCCCCCCCCCC/C=C\C=C\C(=O)OC ZINC000085836353 571789546 /nfs/dbraw/zinc/78/95/46/571789546.db2.gz ACUIYXOOZPHRRA-DHEZTBRESA-N 0 0 266.425 5.193 1 30 endogenous,in-man CKEFRN CCCCCCCCCCC/C=C\C=C\C(=O)OCC ZINC000085836357 571789423 /nfs/dbraw/zinc/78/94/23/571789423.db2.gz QUHRGXQJTPAPQQ-PEMGLXIVSA-N 0 0 280.452 5.583 1 30 endogenous,in-man CKEFRN C=C(CCC=C(C)C)[C@H]1CCC=C(CCC=C(C)C)C1 ZINC000085881270 571790685 /nfs/dbraw/zinc/79/06/85/571790685.db2.gz OIRFZVJHADZVMD-FQEVSTJZSA-N 0 0 272.476 6.762 1 30 endogenous,in-man CKEFRN C=C(C)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1 ZINC000085884023 179196357 /nfs/dbraw/zinc/19/63/57/179196357.db2.gz VWSPQDDPRITBAM-JCFKDZSPSA-N 0 0 272.476 6.762 1 30 CKEFRN CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C ZINC000085922318 179200871 /nfs/dbraw/zinc/20/08/71/179200871.db2.gz AGJAUFUNZWHLKE-SQIWNDBBSA-N 0 0 279.468 5.012 1 30 biogenic,in-vitro CKEFRN C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)CCC=C(C)C ZINC000085944767 571791963 /nfs/dbraw/zinc/79/19/63/571791963.db2.gz MFGOTAHWOBKNNU-IAERKFLBSA-N 0 0 274.492 7.008 1 30 endogenous,in-man CKEFRN C=C[C@](C)(C/C=C(\C)CCC=C(C)C)CCC=C(C)C ZINC000085944770 571791922 /nfs/dbraw/zinc/79/19/22/571791922.db2.gz MFGOTAHWOBKNNU-SSUIOBEFSA-N 0 0 274.492 7.008 1 30 endogenous,in-man CKEFRN C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 ZINC000085946868 560066295 /nfs/dbraw/zinc/06/62/95/560066295.db2.gz IOLISJPAURJPID-LWCVALJOSA-N 0 0 286.459 5.321 1 30 biogenic,in-vitro CKEFRN C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2 ZINC000085983234 290880508 /nfs/dbraw/zinc/88/05/08/290880508.db2.gz REUUHHGDDCLKJR-AABGKKOBSA-N 0 0 272.476 6.452 1 30 biogenic,in-vitro CKEFRN C=C1C(=O)[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000085988993 290880535 /nfs/dbraw/zinc/88/05/35/290880535.db2.gz QDDOPNSTHQXUQO-ZOTMLPGNSA-N 0 0 286.459 5.154 1 30 biogenic,in-vitro CKEFRN C=C[C@@](C)(O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000085993705 179214454 /nfs/dbraw/zinc/21/44/54/179214454.db2.gz YHUUQRPBUXILLV-LFGUQSLTSA-N 0 0 290.491 5.502 1 30 CKEFRN CCCCCCCCCCCCCC(=O)C[C@H](O)CCC ZINC000086046698 571794913 /nfs/dbraw/zinc/79/49/13/571794913.db2.gz WNLRMZGLDCCKMT-GOSISDBHSA-N 0 0 298.511 5.808 1 30 endogenous,in-man CKEFRN CCCCCCCCCCCCCC(=O)C[C@@H](O)CCC ZINC000086046701 571794841 /nfs/dbraw/zinc/79/48/41/571794841.db2.gz WNLRMZGLDCCKMT-SFHVURJKSA-N 0 0 298.511 5.808 1 30 endogenous,in-man CKEFRN CCCCCCCCCCCCC[C@H](O)CC(=O)CCC ZINC000086046704 571794940 /nfs/dbraw/zinc/79/49/40/571794940.db2.gz FQXHGCYDYNKFFF-IBGZPJMESA-N 0 0 298.511 5.808 1 30 endogenous,in-man CKEFRN CCCCCCCCCCCCC[C@@H](O)CC(=O)CCC ZINC000086046706 571794933 /nfs/dbraw/zinc/79/49/33/571794933.db2.gz FQXHGCYDYNKFFF-LJQANCHMSA-N 0 0 298.511 5.808 1 30 endogenous,in-man CKEFRN CCCCCCCCCC[C@@H](C)CCCCCC ZINC000086051433 179223548 /nfs/dbraw/zinc/22/35/48/179223548.db2.gz AZGIFKCGYRMPKP-SFHVURJKSA-N 0 0 254.502 7.124 1 30 CKEFRN CCCCCCCCCC[C@H](C)CCCCCC ZINC000086051434 179223695 /nfs/dbraw/zinc/22/36/95/179223695.db2.gz AZGIFKCGYRMPKP-GOSISDBHSA-N 0 0 254.502 7.124 1 30 CKEFRN C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000087528846 290880529 /nfs/dbraw/zinc/88/05/29/290880529.db2.gz VJVMMXUPZGOBSN-ZMYBETPQSA-N 0 0 272.476 6.308 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@@H]1CCC(=C)[C@H]2[C@@H]1C=C(C)C(=C)[C@@]21CC=C(C)C1=O ZINC000095099285 290880023 /nfs/dbraw/zinc/88/00/23/290880023.db2.gz FFKQCWPUBBEZDH-JTJHWIPRSA-N 0 0 294.438 5.183 1 30 biogenic,in-vitro CKEFRN C=CC(C)(C)c1c[nH]c2cc(CC=C(C)C)ccc21 ZINC000095486027 560061784 /nfs/dbraw/zinc/06/17/84/560061784.db2.gz XKWNQRSHIRYHMA-UHFFFAOYSA-N 0 0 253.389 5.140 1 30 biogenic,in-vitro CKEFRN C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]23C)C1 ZINC000095486310 290881547 /nfs/dbraw/zinc/88/15/47/290881547.db2.gz BLRQCWSOICYRPH-TXTPUJOMSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN Cc1ccccc1/C=C/C(=O)/C=C/C1=C(C)CCCC1(C)C ZINC000095573645 185010385 /nfs/dbraw/zinc/01/03/85/185010385.db2.gz UMYLJIVZJCSLMO-LDHFCIDVSA-N 0 0 294.438 5.660 1 30 CKEFRN Cc1ccc(/C=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000095574767 185011478 /nfs/dbraw/zinc/01/14/78/185011478.db2.gz DTZDYNMDJXOHTI-LDHFCIDVSA-N 0 0 294.438 5.660 1 30 CKEFRN CC1=C(/C=C/C(=O)/C=C/c2ccccc2)C(C)(C)CCC1 ZINC000095578923 185010982 /nfs/dbraw/zinc/01/09/82/185010982.db2.gz ZTUTWCKGMCMAPD-LDHFCIDVSA-N 0 0 280.411 5.352 1 30 CKEFRN Cc1cc(/N=C/c2ccc(Cl)cc2)c(C(C)C)cc1O ZINC000095593280 185013993 /nfs/dbraw/zinc/01/39/93/185013993.db2.gz RAFYSQOWEZJICP-VXLYETTFSA-N 0 0 287.790 5.228 1 30 CKEFRN CCCc1ccc(/C=N/c2cc(C)c(O)cc2C(C)C)cc1 ZINC000095593848 185014106 /nfs/dbraw/zinc/01/41/06/185014106.db2.gz UDELGHVRJUOIQO-FYJGNVAPSA-N 0 0 295.426 5.527 1 30 CKEFRN CCc1ccc(/C=N/c2cc(C)c(O)cc2C(C)C)cc1 ZINC000095594451 185013716 /nfs/dbraw/zinc/01/37/16/185013716.db2.gz PTPZNYOKNTWDIC-UDWIEESQSA-N 0 0 281.399 5.137 1 30 CKEFRN Cc1cc(/N=C/c2ccc(C(C)C)cc2)c(C(C)C)cc1O ZINC000095595246 185013652 /nfs/dbraw/zinc/01/36/52/185013652.db2.gz CTTBMTXNABBDJO-CIAFOILYSA-N 0 0 295.426 5.698 1 30 CKEFRN CCc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1 ZINC000095595383 185014260 /nfs/dbraw/zinc/01/42/60/185014260.db2.gz LCSRICALNJUHCB-FYJGNVAPSA-N 0 0 295.426 5.311 1 30 CKEFRN C=C(Cc1cccc(C)c1)C1=CC=C(c2ccc(C)cc2)C1 ZINC000095595500 185015662 /nfs/dbraw/zinc/01/56/62/185015662.db2.gz IIXWVKPHXRFBKW-UHFFFAOYSA-N 0 0 286.418 5.816 1 30 CKEFRN Cc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1 ZINC000095596139 185015712 /nfs/dbraw/zinc/01/57/12/185015712.db2.gz XSIYKCQKXOORJV-UDWIEESQSA-N 0 0 281.399 5.057 1 30 CKEFRN CCCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1 ZINC000095596161 185015735 /nfs/dbraw/zinc/01/57/35/185015735.db2.gz NJVSOEAMYISKBT-FYJGNVAPSA-N 0 0 295.426 5.527 1 30 CKEFRN CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1 ZINC000095597313 185015067 /nfs/dbraw/zinc/01/50/67/185015067.db2.gz DMFTXCZGXSLVRH-UDWIEESQSA-N 0 0 281.399 5.137 1 30 CKEFRN CC(C)=CCC[C@H]1CC[C@@H](C=O)[C@](C)(CCC=C(C)C)C1 ZINC000095909821 290881621 /nfs/dbraw/zinc/88/16/21/290881621.db2.gz BNZKPSOVNXOAIQ-SLFFLAALSA-N 0 0 290.491 6.101 1 30 biogenic,in-vitro CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H]12 ZINC000095910806 290880000 /nfs/dbraw/zinc/88/00/00/290880000.db2.gz KZHMFCYCMBPVGZ-GQKCNJLPSA-N 0 0 272.476 6.452 1 30 biogenic,in-vitro CKEFRN CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]43CO3)CC[C@H]12 ZINC000095911329 560058252 /nfs/dbraw/zinc/05/82/52/560058252.db2.gz IVLAOQKNYRWCMZ-URTLRTLISA-N 0 0 288.475 5.188 1 30 biogenic,in-vitro CKEFRN CCCCC/C=C/C/C=C/CCCCCCC=O ZINC000095911866 560057732 /nfs/dbraw/zinc/05/77/32/560057732.db2.gz JEBIMSVVDVTZIY-AVQMFFATSA-N 0 0 250.426 5.609 1 30 biogenic,in-vitro CKEFRN C=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)[C@@H]2CC1 ZINC000095912089 560057560 /nfs/dbraw/zinc/05/75/60/560057560.db2.gz ONZXOVHXOYBKLR-GNVJSZRZSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000095912111 290881097 /nfs/dbraw/zinc/88/10/97/290881097.db2.gz BTNDADFGUPCRMW-CGBFIWBNSA-N 0 0 288.475 5.278 1 30 biogenic,in-vitro CKEFRN C=C[C@@]1(C)C[C@H]2CC=C3[C@@H](CCCC3(C)C)[C@]2(C)[C@@H](O)C1 ZINC000095912218 290881551 /nfs/dbraw/zinc/88/15/51/290881551.db2.gz BSZUQZDCLPAXFZ-WGLCMCTQSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@@]3(O)[C@H]2CCCC3(C)C)C1 ZINC000095912219 290881546 /nfs/dbraw/zinc/88/15/46/290881546.db2.gz SKMIQNYLDKLTBK-QQXMDYFESA-N 0 0 290.491 5.336 1 30 biogenic,in-vitro CKEFRN CCCCCCCC[C@@H](CCCC)c1ccccc1 ZINC000095914311 560055935 /nfs/dbraw/zinc/05/59/35/560055935.db2.gz MZTIRLOLMGVVEK-GOSISDBHSA-N 0 0 260.465 6.711 1 30 biogenic,in-vitro CKEFRN C=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC ZINC000095914368 290879996 /nfs/dbraw/zinc/87/99/96/290879996.db2.gz HPXTYQIQNKBSIK-UQYDPPGPSA-N 0 0 278.524 7.168 1 30 biogenic,in-vitro CKEFRN C=C[C@@]1(C)CC[C@]2(C)C3=CC[C@@H](O)C(C)(C)[C@H]3CC[C@H]2C1 ZINC000095914872 290881549 /nfs/dbraw/zinc/88/15/49/290881549.db2.gz DDMHIOKPMUMJDG-QHOFPYNOSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=C(CCC=C(C)C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@@H]2C1 ZINC000095919382 290880509 /nfs/dbraw/zinc/88/05/09/290880509.db2.gz DOGQNYXCCXBVMX-WKWVNEEDSA-N 0 0 290.491 5.502 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1 ZINC000096927024 185131413 /nfs/dbraw/zinc/13/14/13/185131413.db2.gz XRBKENSBHAHCBU-DSJDWBEOSA-N 0 0 288.475 5.112 1 30 CKEFRN C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C=O ZINC000096927026 185130758 /nfs/dbraw/zinc/13/07/58/185130758.db2.gz GBIAINFWNNBJAS-OCHVYMGISA-N 0 0 286.459 5.487 1 30 CKEFRN CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C=O ZINC000098214329 574417201 /nfs/dbraw/zinc/41/72/01/574417201.db2.gz IZJRIIWUSIGEAJ-FHWLQOOXSA-N 0 0 282.512 6.261 1 30 endogenous,in-man CKEFRN CCCCCCCCCCCCCC[C@H](C)CO ZINC000100139892 185706398 /nfs/dbraw/zinc/70/63/98/185706398.db2.gz FCSBKDJGLIURSH-KRWDZBQOSA-N 0 0 256.474 5.706 1 30 CKEFRN CCCCCCCCCCOC(=O)CCCCC ZINC000100312165 185712679 /nfs/dbraw/zinc/71/26/79/185712679.db2.gz QNKHVQVPARQEKZ-UHFFFAOYSA-N 0 0 256.430 5.251 1 30 CKEFRN C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 ZINC000100780806 571834022 /nfs/dbraw/zinc/83/40/22/571834022.db2.gz XDSYKASBVOZOAG-BWPNAZKDSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 ZINC000100780809 571834039 /nfs/dbraw/zinc/83/40/39/571834039.db2.gz XDSYKASBVOZOAG-XEYPJELSSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN CCCCCCC[C@@H]1CC(=O)C(CCCCCC)C(=O)O1 ZINC000101573818 185747916 /nfs/dbraw/zinc/74/79/16/185747916.db2.gz PZWUINGHLHNXOM-OAHLLOKOSA-N 0 0 296.451 5.445 1 30 CKEFRN CCCCCCCCCCCCC[S@](=N)(=O)CCC ZINC000102790991 185792620 /nfs/dbraw/zinc/79/26/20/185792620.db2.gz XZBHVAOEQCOJKB-LJQANCHMSA-N 0 0 289.529 5.754 1 30 CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 ZINC000102814309 185792118 /nfs/dbraw/zinc/79/21/18/185792118.db2.gz KZHMFCYCMBPVGZ-JFZLUAFOSA-N 0 0 272.476 6.452 1 30 CKEFRN C=C(C)[C@H]1C[C@@H](O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 ZINC000102814759 185792571 /nfs/dbraw/zinc/79/25/71/185792571.db2.gz YUHFWLZIGAFAIH-AZSJCBOMSA-N 0 0 288.475 5.423 1 30 CKEFRN CCCCCCCCc1ccc([C@H]2CC[C@H](O)CC2)cc1 ZINC000102899427 185796182 /nfs/dbraw/zinc/79/61/82/185796182.db2.gz JHRMMUBPZHBXEC-BGYRXZFFSA-N 0 0 288.475 5.608 1 30 CKEFRN C=CC[C@H](Nc1cc(C)ccc1C)C1CCCCC1 ZINC000103167522 185812997 /nfs/dbraw/zinc/81/29/97/185812997.db2.gz WXPLULUSSKLIDP-KRWDZBQOSA-N 0 0 257.421 5.240 1 30 CKEFRN C=CC[C@@H](Nc1cc(C)ccc1C)C1CCCCC1 ZINC000103167525 185812882 /nfs/dbraw/zinc/81/28/82/185812882.db2.gz WXPLULUSSKLIDP-QGZVFWFLSA-N 0 0 257.421 5.240 1 30 CKEFRN C=CC[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000103172566 185813002 /nfs/dbraw/zinc/81/30/02/185813002.db2.gz WOQLUFYRGPASBH-KRWDZBQOSA-N 0 0 274.363 5.253 1 30 CKEFRN C=CC[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000103172581 185813638 /nfs/dbraw/zinc/81/36/38/185813638.db2.gz ZWGFHQYNRKAOMC-SFHVURJKSA-N 0 0 288.390 5.562 1 30 CKEFRN C=CC[C@H](c1ccc(F)cc1)c1c(O)ccc2ccccc21 ZINC000103172657 185813048 /nfs/dbraw/zinc/81/30/48/185813048.db2.gz LZQFOSPCGDNZAS-QGZVFWFLSA-N 0 0 292.353 5.393 1 30 CKEFRN C=CC[C@@H](c1ccccc1F)c1c(O)ccc2ccccc21 ZINC000103172659 185813034 /nfs/dbraw/zinc/81/30/34/185813034.db2.gz UZUSANNOYHYIRG-KRWDZBQOSA-N 0 0 292.353 5.393 1 30 CKEFRN C=CC[C@H](c1ccccc1F)c1c(O)ccc2ccccc21 ZINC000103172661 185813241 /nfs/dbraw/zinc/81/32/41/185813241.db2.gz UZUSANNOYHYIRG-QGZVFWFLSA-N 0 0 292.353 5.393 1 30 CKEFRN CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N\OCCC(C)C ZINC000103203624 185816501 /nfs/dbraw/zinc/81/65/01/185816501.db2.gz PVNGFTGBTBRPCK-FPGAKXFVSA-N 0 0 277.452 5.364 1 30 CKEFRN CCCCO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C ZINC000103215425 185817103 /nfs/dbraw/zinc/81/71/03/185817103.db2.gz RZBLAEDHVXNGPL-QNSZNTRWSA-N 0 0 263.425 5.118 1 30 CKEFRN CCCCO/N=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C ZINC000103215427 185817130 /nfs/dbraw/zinc/81/71/30/185817130.db2.gz RZBLAEDHVXNGPL-DKVUXYOYSA-N 0 0 263.425 5.118 1 30 CKEFRN C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC ZINC000103268648 185823924 /nfs/dbraw/zinc/82/39/24/185823924.db2.gz WMMKRRHSYGLRHN-MAZCIEHSSA-N 0 0 286.503 7.318 1 30 CKEFRN CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000103537839 290883353 /nfs/dbraw/zinc/88/33/53/290883353.db2.gz IMHOEVJXGWKBRJ-UHFFFAOYSA-N 0 0 298.450 5.387 1 30 biogenic,in-vitro CKEFRN C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 ZINC000104878449 560050728 /nfs/dbraw/zinc/05/07/28/560050728.db2.gz XDSYKASBVOZOAG-UMGGQSCQSA-N 0 0 272.476 6.142 1 30 biogenic,in-vitro CKEFRN CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C=O)[C@H]1CC2 ZINC000104883817 571843318 /nfs/dbraw/zinc/84/33/18/571843318.db2.gz MDWQSNIQXHNTCK-AABGKKOBSA-N 0 0 286.459 5.465 1 30 endogenous,in-man CKEFRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@@]3(C)[C@H]2CC1 ZINC000104883839 571843236 /nfs/dbraw/zinc/84/32/36/571843236.db2.gz HOFSYSONRIGEAC-YRPNKDGESA-N 0 0 286.459 5.321 1 30 endogenous,in-man CKEFRN C=C(C)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC1 ZINC000105383924 186055751 /nfs/dbraw/zinc/05/57/51/186055751.db2.gz VWSPQDDPRITBAM-YSWQFPNGSA-N 0 0 272.476 6.762 1 30 CKEFRN C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC1 ZINC000105383927 186055980 /nfs/dbraw/zinc/05/59/80/186055980.db2.gz VWSPQDDPRITBAM-CQFKMJEUSA-N 0 0 272.476 6.762 1 30 CKEFRN C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC1 ZINC000105383928 186056222 /nfs/dbraw/zinc/05/62/22/186056222.db2.gz VWSPQDDPRITBAM-IMAXQLDFSA-N 0 0 272.476 6.762 1 30 CKEFRN C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1 ZINC000109674447 560044627 /nfs/dbraw/zinc/04/46/27/560044627.db2.gz VWSPQDDPRITBAM-BOWIQBHHSA-N 0 0 272.476 6.762 1 30 biogenic,in-vitro CKEFRN C=C1CC/C=C(/C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@H]12 ZINC000135902688 187856157 /nfs/dbraw/zinc/85/61/57/187856157.db2.gz SLLJXDWDIIKACA-QFAUKOMESA-N 0 0 272.476 6.452 1 30 CKEFRN CC(C)=C1CC[C@@]2(C)C(=O)/C=C(\C)CC/C=C(/C)CC[C@H]12 ZINC000138836930 187905137 /nfs/dbraw/zinc/90/51/37/187905137.db2.gz UPOREMYWIBIKTQ-YEWKAIHSSA-N 0 0 286.459 5.775 1 30 CKEFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC=O ZINC000142305999 187910214 /nfs/dbraw/zinc/91/02/14/187910214.db2.gz KKHARRSDXDLUEB-BTMZFSHUSA-N 0 0 280.477 5.338 1 30 CKEFRN C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1 ZINC000166222057 560044316 /nfs/dbraw/zinc/04/43/16/560044316.db2.gz BLRQCWSOICYRPH-HROONELDSA-N 0 0 288.475 5.112 1 30 biogenic,in-vitro CKEFRN C=C1CC/C=C(/C)Cc2occ3c2C(C)(C)[C@@H](CC3)CC1 ZINC000169290915 188655684 /nfs/dbraw/zinc/65/56/84/188655684.db2.gz MHENRDVDYDHIBZ-IJZIWBRISA-N 0 0 284.443 5.739 1 30 CKEFRN C=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC1 ZINC000169293158 188656017 /nfs/dbraw/zinc/65/60/17/188656017.db2.gz VWSPQDDPRITBAM-VHXHRSTNSA-N 0 0 272.476 6.762 1 30 CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 ZINC000169335345 188659125 /nfs/dbraw/zinc/65/91/25/188659125.db2.gz QYPBSHVQNJCZQA-WKDZMVHMSA-N 0 0 288.475 5.663 1 30 CKEFRN C=C(C)[C@H]1C[C@H](O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 ZINC000169338396 188659863 /nfs/dbraw/zinc/65/98/63/188659863.db2.gz YUHFWLZIGAFAIH-HKSASSIMSA-N 0 0 288.475 5.423 1 30 CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 ZINC000169340265 188659695 /nfs/dbraw/zinc/65/96/95/188659695.db2.gz KZHMFCYCMBPVGZ-JEKZYLCXSA-N 0 0 272.476 6.452 1 30 CKEFRN C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 ZINC000169340266 188659728 /nfs/dbraw/zinc/65/97/28/188659728.db2.gz KZHMFCYCMBPVGZ-RPFAXUQSSA-N 0 0 272.476 6.452 1 30 CKEFRN C=C(C)[C@@H]1CC[C@]2(C)/C=C\[C@H](C)CC/C=C(/C)CC[C@@H]12 ZINC000169340276 188659995 /nfs/dbraw/zinc/65/99/95/188659995.db2.gz DQSHCYDPVQKJSC-NCOXUNSJSA-N 0 0 272.476 6.308 1 30 CKEFRN Cc1cccc2c(N=[N+]=[N-])nc(-c3cccs3)cc12 ZINC000169353964 188660928 /nfs/dbraw/zinc/66/09/28/188660928.db2.gz LIELTELQIMQLFL-UHFFFAOYSA-N 0 0 266.329 5.214 1 30 CKEFRN C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 ZINC000231208220 574420376 /nfs/dbraw/zinc/42/03/76/574420376.db2.gz XDSYKASBVOZOAG-IZBJGVDFSA-N 0 0 272.476 6.142 1 30 endogenous,in-man CKEFRN C=CC(=C)CC[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C ZINC000238755212 265757370 /nfs/dbraw/zinc/75/73/70/265757370.db2.gz JTWQQJDENGGSBJ-RAUXBKROSA-N 0 0 290.491 5.502 1 30 in-vitro,metabolite CKEFRN O=C1c2c(ccc3ccccc23)S/C1=C/c1cccs1 ZINC000005185689 170075063 /nfs/dbraw/zinc/07/50/63/170075063.db2.gz NYRSOTAWRKGABU-XNTDXEJSSA-N 0 0 294.400 5.231 3 30 aggregator CKEFRN CC1(C)CC(=O)C=C(c2cccc3c4ccccc4oc32)C1 ZINC000012479616 170489798 /nfs/dbraw/zinc/48/97/98/170489798.db2.gz UCJYKSIOQMIILK-UHFFFAOYSA-N 0 0 290.362 5.359 3 30 CKEFRN C=C[C@@]1(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)O)C[C@@H]1C(=C)C ZINC000034375101 171838143 /nfs/dbraw/zinc/83/81/43/171838143.db2.gz PGZCBHXBAUSEPY-WUUBIIOISA-N 0 0 288.475 5.445 3 30 CKEFRN