smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000004016734 194369975 /nfs/dbraw/zinc/36/99/75/194369975.db2.gz FRDWBYRDTKNHAO-AYEBITCKSA-N 0 1 456.583 4.048 50 10 biogenic JICAMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000102908560 130384537 /nfs/dbraw/zinc/38/45/37/130384537.db2.gz ORHZKQGHRQVLCK-WQLSENKSSA-N 0 1 471.163 4.500 50 10 JICAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000033474147 521949282 /nfs/dbraw/zinc/94/92/82/521949282.db2.gz APZFQOFLTWJPLF-QJOMJCCJSA-N 0 1 458.514 4.313 50 10 JICAMN COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000001203894 522836320 /nfs/dbraw/zinc/83/63/20/522836320.db2.gz ZTVCNWIXNRLIGJ-AWNIVKPZSA-N 0 1 492.307 4.046 50 10 JICAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000000693953 553759589 /nfs/dbraw/zinc/75/95/89/553759589.db2.gz BOGIPQNHQNZWSZ-QGOAFFKASA-N 0 1 452.333 4.071 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1Cl ZINC000002235923 554107519 /nfs/dbraw/zinc/10/75/19/554107519.db2.gz INHGREOOVGNRMG-AQTBWJFISA-N 0 1 496.903 4.061 50 10 JICAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008955534 554836762 /nfs/dbraw/zinc/83/67/62/554836762.db2.gz FHCRRAYQSPXYON-UYRXBGFRSA-N 0 1 460.559 4.467 50 10 JICAMN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165170 554950772 /nfs/dbraw/zinc/95/07/72/554950772.db2.gz KMRDQTCHYITFCX-HSZRJFAPSA-N 0 1 485.028 4.013 50 10 JICAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165271 554950846 /nfs/dbraw/zinc/95/08/46/554950846.db2.gz FOBVGMWRSJNADQ-XMMPIXPASA-N 0 1 469.029 4.313 50 10 JICAMN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009165343 554951015 /nfs/dbraw/zinc/95/10/15/554951015.db2.gz XKPFHUQYHCRGBQ-SANMLTNESA-N 0 1 462.638 4.474 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC ZINC000009323521 555096822 /nfs/dbraw/zinc/09/68/22/555096822.db2.gz HPPREJPOTPWSHK-SXGWCWSVSA-N 0 1 489.391 4.421 50 10 JICAMN O=C(Nc1ccccn1)c1cc2ccccc2c(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000025685716 556229551 /nfs/dbraw/zinc/22/95/51/556229551.db2.gz OTRCWEHCVHMLAY-UHFFFAOYSA-N 0 1 472.570 4.212 50 10 JICAMN COc1cccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000027531718 556292097 /nfs/dbraw/zinc/29/20/97/556292097.db2.gz TYCZMLJTZAMVBD-PXLXIMEGSA-N 0 1 464.905 4.268 50 10 JICAMN COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000035560576 569704206 /nfs/dbraw/zinc/70/42/06/569704206.db2.gz XECPBRLXHOCQDH-HHHXNRCGSA-N 0 1 459.590 4.056 50 10 JICAMN O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115256 569734272 /nfs/dbraw/zinc/73/42/72/569734272.db2.gz XVHRLCZLFGPTGZ-HNNXBMFYSA-N 0 1 467.433 4.154 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1 ZINC000096115256 569734273 /nfs/dbraw/zinc/73/42/73/569734273.db2.gz XVHRLCZLFGPTGZ-HNNXBMFYSA-N 0 1 467.433 4.154 50 10 biogenic JICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000096221844 569739270 /nfs/dbraw/zinc/73/92/70/569739270.db2.gz OVTMIOSDCAPCSN-MRXNPFEDSA-N 0 1 470.433 4.446 50 10 biogenic JICAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)c1 ZINC000009907600 195018262 /nfs/dbraw/zinc/01/82/62/195018262.db2.gz BLNPHVRFWYOOOQ-HAHDFKILSA-N 0 1 458.539 4.496 50 10 JICAMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c1 ZINC000016693236 521381842 /nfs/dbraw/zinc/38/18/42/521381842.db2.gz QMFUTZQADJFLAD-IWIPYMOSSA-N 0 1 488.613 4.390 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1C ZINC000002230614 554105129 /nfs/dbraw/zinc/10/51/29/554105129.db2.gz PCLLBHYELKIZIW-QNGOZBTKSA-N 0 1 490.512 4.107 50 10 JICAMN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000006431638 554535956 /nfs/dbraw/zinc/53/59/56/554535956.db2.gz LMIRHMDZXNFCFD-UYRXBGFRSA-N 0 1 466.360 4.380 50 10 JICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(I)o1 ZINC000006974286 554562924 /nfs/dbraw/zinc/56/29/24/554562924.db2.gz IBVPZHOIUAVYOA-VURMDHGXSA-N 0 1 493.109 4.022 50 10 JICAMN CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S ZINC000009113009 554900210 /nfs/dbraw/zinc/90/02/10/554900210.db2.gz ZLCOIEQNSRYXEH-NDENLUEZSA-N 0 1 473.554 4.217 50 10 JICAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1Cl ZINC000009165248 554950758 /nfs/dbraw/zinc/95/07/58/554950758.db2.gz AMXFVRVUBXTZDG-XMMPIXPASA-N 0 1 469.029 4.313 50 10 JICAMN CCOc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000009515561 555306608 /nfs/dbraw/zinc/30/66/08/555306608.db2.gz WDVQIIPNPGGIMO-UHFFFAOYSA-N 0 1 495.026 4.130 50 10 JICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000022185043 555882561 /nfs/dbraw/zinc/88/25/61/555882561.db2.gz FJIVVGRSIGEJJG-RIYZIHGNSA-N 0 1 465.756 4.333 50 10 JICAMN COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1OC ZINC000016914564 556178508 /nfs/dbraw/zinc/17/85/08/556178508.db2.gz HEZMICALKWMHEW-RUZDIDTESA-N 0 1 459.590 4.299 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1 ZINC000017112313 556217596 /nfs/dbraw/zinc/21/75/96/556217596.db2.gz CNXJMBIHVUYJAH-ZHZULCJRSA-N 0 1 462.458 4.248 50 10 JICAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017822946 556267246 /nfs/dbraw/zinc/26/72/46/556267246.db2.gz NCMVZFVLJJQUDY-ZRBLBEILSA-N 0 1 492.919 4.365 50 10 JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2coc3ccccc3c2=O)CC(=O)O1 ZINC000096113913 569733009 /nfs/dbraw/zinc/73/30/09/569733009.db2.gz FAGYRKURRITTCW-OAHLLOKOSA-N 0 1 468.417 4.419 50 10 biogenic JICAMN COc1ccc2occ([C@@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)c2c1 ZINC000096114276 569733328 /nfs/dbraw/zinc/73/33/28/569733328.db2.gz MUYHCGYDOWMTBU-HNNXBMFYSA-N 0 1 498.443 4.427 50 10 biogenic JICAMN COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000100503462 569762905 /nfs/dbraw/zinc/76/29/05/569762905.db2.gz OAADZQXMONRPBQ-JWGURIENSA-N 0 1 482.606 4.205 50 10 JICAMN COc1ccc(N2CCN(Cc3coc(=O)c(C[NH+]4CCC(c5ccccc5)CC4)c3[O-])CC2)cc1 ZINC000101372778 569794676 /nfs/dbraw/zinc/79/46/76/569794676.db2.gz BSELOBSGDVWNOO-UHFFFAOYSA-N 0 1 489.616 4.056 50 10 JICAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102744728 569819601 /nfs/dbraw/zinc/81/96/01/569819601.db2.gz JAIXRIXGWKMHOY-KCZVDYSFSA-N 0 1 495.329 4.214 50 10 JICAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000227247963 570040137 /nfs/dbraw/zinc/04/01/37/570040137.db2.gz NCMVZFVLJJQUDY-DNVJHFABSA-N 0 1 492.919 4.365 50 10 JICAMN CN1C[C@H](c2cccs2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12c1ccccc1N(C)C2=O ZINC000245325275 570064274 /nfs/dbraw/zinc/06/42/74/570064274.db2.gz DUBALWYGBWSREQ-GAZXMLTASA-N 0 1 495.651 4.041 50 10 JICAMN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000001191463 194065817 /nfs/dbraw/zinc/06/58/17/194065817.db2.gz CMGXTGAVNZSKID-UHFFFAOYSA-N 0 1 470.106 4.084 50 10 JICAMN O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000001304571 194082848 /nfs/dbraw/zinc/08/28/48/194082848.db2.gz RTDWXGYNXSCJAC-UCCYEOCQSA-N 0 1 454.960 4.430 50 10 JICAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000001304571 194082850 /nfs/dbraw/zinc/08/28/50/194082850.db2.gz RTDWXGYNXSCJAC-UCCYEOCQSA-N 0 1 454.960 4.430 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000096234381 130001348 /nfs/dbraw/zinc/00/13/48/130001348.db2.gz YXRWUFOUGUQYDJ-VIZOYTHASA-N 0 1 460.740 4.415 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC ZINC000001198033 520629555 /nfs/dbraw/zinc/62/95/55/520629555.db2.gz PZARUEULBBWFLV-RIYZIHGNSA-N 0 1 495.782 4.341 50 10 JICAMN CCOC(=O)c1c(CN(C)C)n(-c2ccccc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000012413720 521406334 /nfs/dbraw/zinc/40/63/34/521406334.db2.gz XONZZIUDFBGLIC-UHFFFAOYSA-N 0 1 474.399 4.399 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccn1 ZINC000012464723 526090997 /nfs/dbraw/zinc/09/09/97/526090997.db2.gz LFCDOPLAYAXLTF-SFQUDFHCSA-N 0 1 450.951 4.282 50 10 JICAMN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000000948874 553880197 /nfs/dbraw/zinc/88/01/97/553880197.db2.gz QCUMYXZYEKDKIZ-UHFFFAOYSA-N 0 1 451.953 4.296 50 10 JICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000009309897 555085404 /nfs/dbraw/zinc/08/54/04/555085404.db2.gz NTNHDRHOJBNCBK-QBFSEMIESA-N 0 1 450.347 4.408 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)cc1O ZINC000009323241 555096202 /nfs/dbraw/zinc/09/62/02/555096202.db2.gz LMTRVWFCCDWXNG-RIYZIHGNSA-N 0 1 475.364 4.002 50 10 JICAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c1 ZINC000009348395 555114677 /nfs/dbraw/zinc/11/46/77/555114677.db2.gz JMMXVZWVHAQWKY-MOSHPQCFSA-N 0 1 477.498 4.393 50 10 JICAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778838 555497954 /nfs/dbraw/zinc/49/79/54/555497954.db2.gz VKFCDYWGLGRVSW-GOTSBHOMSA-N 0 1 459.933 4.467 50 10 JICAMN COc1ccc(OCCOc2cc(C)cc(C)c2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000013897942 555644932 /nfs/dbraw/zinc/64/49/32/555644932.db2.gz GQWNIAFFTUIVHH-JJIBRWJFSA-N 0 1 458.514 4.231 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O ZINC000022034129 555864891 /nfs/dbraw/zinc/86/48/91/555864891.db2.gz PWQOMFXEKIVDSX-NTUHNPAUSA-N 0 1 481.755 4.038 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015219896 555885150 /nfs/dbraw/zinc/88/51/50/555885150.db2.gz WNIHWBQRMRHTCT-MOSHPQCFSA-N 0 1 489.509 4.014 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000015800012 556008414 /nfs/dbraw/zinc/00/84/14/556008414.db2.gz BHIHNPJLGYSNNV-ZHZULCJRSA-N 0 1 473.460 4.114 50 10 JICAMN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(Br)cc(Br)c2O)NC(=S)N1 ZINC000027522703 556286639 /nfs/dbraw/zinc/28/66/39/556286639.db2.gz AEWIIJASSADBES-HNNXBMFYSA-N 0 1 497.212 4.349 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc32)CC1 ZINC000019790401 556370260 /nfs/dbraw/zinc/37/02/60/556370260.db2.gz BURYBRNMKSRZSM-UHFFFAOYSA-N 0 1 462.468 4.331 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1c(C)cccc1C ZINC000034261724 569639997 /nfs/dbraw/zinc/63/99/97/569639997.db2.gz UDNWKBQMICEFBU-KGENOOAVSA-N 0 1 490.512 4.229 50 10 JICAMN Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(=O)c1-c1ccccc1 ZINC000085418803 569710778 /nfs/dbraw/zinc/71/07/78/569710778.db2.gz XODZJXAEIMMSOE-AZUAARDMSA-N 0 1 454.526 4.255 50 10 JICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096116099 569735097 /nfs/dbraw/zinc/73/50/97/569735097.db2.gz RTYGDKSOTNTLHR-AWEZNQCLSA-N 0 1 484.416 4.124 50 10 biogenic JICAMN COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221580 569739141 /nfs/dbraw/zinc/73/91/41/569739141.db2.gz WCGZFEXRZPDXIT-MRXNPFEDSA-N 0 1 464.474 4.049 50 10 biogenic JICAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101144343 569784408 /nfs/dbraw/zinc/78/44/08/569784408.db2.gz NCMVZFVLJJQUDY-ZLNRFVROSA-N 0 1 492.919 4.365 50 10 JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccc3c(c2)OCCO3)CC(=O)O1 ZINC000096115514 129968243 /nfs/dbraw/zinc/96/82/43/129968243.db2.gz SYFWJDDMJBREQK-OAHLLOKOSA-N 0 1 458.422 4.083 50 10 biogenic JICAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCOCC1 ZINC000013847072 525605258 /nfs/dbraw/zinc/60/52/58/525605258.db2.gz JYFFSQOZZLULFY-UHFFFAOYSA-N 0 1 498.988 4.153 50 10 JICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000009259410 527056173 /nfs/dbraw/zinc/05/61/73/527056173.db2.gz SDPKDVVPFPEGAJ-MOSHPQCFSA-N 0 1 450.466 4.375 50 10 JICAMN Cn1c(=O)cc2c3c1ccc(NS(=O)(=O)c1ccc(Cl)cc1)c3C(=O)c1ccccc1-2 ZINC000002503431 554229969 /nfs/dbraw/zinc/22/99/69/554229969.db2.gz STNPCQUWYAXFMY-UHFFFAOYSA-N 0 1 450.903 4.204 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000009333865 555101770 /nfs/dbraw/zinc/10/17/70/555101770.db2.gz VLWXDVLKTZJCCX-HAVVHWLPSA-N 0 1 458.514 4.313 50 10 JICAMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000013616246 555536343 /nfs/dbraw/zinc/53/63/43/555536343.db2.gz IUKGFUMTTYTEKJ-HZHRSRAPSA-N 0 1 487.581 4.411 50 10 JICAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 ZINC000013940929 555652060 /nfs/dbraw/zinc/65/20/60/555652060.db2.gz ONLLWLZUNZAOQR-NKFKGCMQSA-N 0 1 458.514 4.395 50 10 JICAMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1c([O-])c(C(=O)N3CCOCC3)cc3ccccc31)CC2 ZINC000023853431 556092691 /nfs/dbraw/zinc/09/26/91/556092691.db2.gz FYBVQJLEGGUTHS-UHFFFAOYSA-N 0 1 490.600 4.374 50 10 JICAMN COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC ZINC000096115586 569734516 /nfs/dbraw/zinc/73/45/16/569734516.db2.gz CKLCLOBIRGAOTC-HNNXBMFYSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096220950 569738631 /nfs/dbraw/zinc/73/86/31/569738631.db2.gz OTOKYHPOJGLBIC-NSHDSACASA-N 0 1 492.465 4.087 50 10 biogenic JICAMN COC(=O)C[C@@H](c1cc(OC)ccc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221572 569738957 /nfs/dbraw/zinc/73/89/57/569738957.db2.gz OICBMABQXTUXLB-KRWDZBQOSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc23)cc1 ZINC000101274467 569788820 /nfs/dbraw/zinc/78/88/20/569788820.db2.gz AVTCXIWRRFKOKH-UHFFFAOYSA-N 0 1 467.572 4.453 50 10 JICAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248153964 570075684 /nfs/dbraw/zinc/07/56/84/570075684.db2.gz HREGDWNIIVDENQ-JOCHJYFZSA-N 0 1 475.637 4.187 50 10 JICAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000002979889 194193004 /nfs/dbraw/zinc/19/30/04/194193004.db2.gz LMIRHMDZXNFCFD-CPNJWEJPSA-N 0 1 466.360 4.380 50 10 JICAMN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000009378260 520792281 /nfs/dbraw/zinc/79/22/81/520792281.db2.gz LWDHVLPJYPMARY-UHFFFAOYSA-N 0 1 467.016 4.286 50 10 JICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] ZINC000002919946 523409044 /nfs/dbraw/zinc/40/90/44/523409044.db2.gz DJEYXXNWDBWDAR-NTUHNPAUSA-N 0 1 462.281 4.038 50 10 JICAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1OC(C)C ZINC000001164167 525766570 /nfs/dbraw/zinc/76/65/70/525766570.db2.gz TZUOVWGHHMDDQR-LFIBNONCSA-N 0 1 489.391 4.385 50 10 JICAMN Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)c1 ZINC000000634522 553720395 /nfs/dbraw/zinc/72/03/95/553720395.db2.gz DHWATHHFVOAOLR-KGENOOAVSA-N 0 1 472.570 4.244 50 10 JICAMN CCOc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000000664562 553741064 /nfs/dbraw/zinc/74/10/64/553741064.db2.gz AQPQFCAHNOCDOQ-DHDCSXOGSA-N 0 1 489.391 4.305 50 10 JICAMN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009165350 554951038 /nfs/dbraw/zinc/95/10/38/554951038.db2.gz XKPFHUQYHCRGBQ-AREMUKBSSA-N 0 1 462.638 4.474 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013536651 555488632 /nfs/dbraw/zinc/48/86/32/555488632.db2.gz HVDHKGCWRKMQFU-YBFXNURJSA-N 0 1 468.307 4.112 50 10 JICAMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000013536203 555488747 /nfs/dbraw/zinc/48/87/47/555488747.db2.gz MZQZXABLVSLBPY-HZHRSRAPSA-N 0 1 469.497 4.284 50 10 JICAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc5sc(C)nc5c4)C3)CC2)cc1 ZINC000067920685 569691162 /nfs/dbraw/zinc/69/11/62/569691162.db2.gz WHHSEAYQPAMICD-NRFANRHFSA-N 0 1 450.608 4.040 50 10 JICAMN CN(C)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000071328674 569697064 /nfs/dbraw/zinc/69/70/64/569697064.db2.gz BGTPWQFCFBINNO-OAQYLSRUSA-N 0 1 452.507 4.223 50 10 JICAMN COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000035560580 569704133 /nfs/dbraw/zinc/70/41/33/569704133.db2.gz XECPBRLXHOCQDH-MHZLTWQESA-N 0 1 459.590 4.056 50 10 JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2coc3ccccc3c2=O)CC(=O)O1 ZINC000096113912 569733066 /nfs/dbraw/zinc/73/30/66/569733066.db2.gz FAGYRKURRITTCW-HNNXBMFYSA-N 0 1 468.417 4.419 50 10 biogenic JICAMN COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc2c1OCO2 ZINC000096114039 569733139 /nfs/dbraw/zinc/73/31/39/569733139.db2.gz CIFXJZXSCLYNOF-CQSZACIVSA-N 0 1 474.421 4.050 50 10 biogenic JICAMN CN1CCN([C@H](CNC(=O)Nc2ccccc2C(F)(F)F)c2ccc3c(c2)CCCN3C)CC1 ZINC000038673247 569806179 /nfs/dbraw/zinc/80/61/79/569806179.db2.gz JDOMOADEZCGMTD-HSZRJFAPSA-N 0 1 475.559 4.198 50 10 JICAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000102730213 569818161 /nfs/dbraw/zinc/81/81/61/569818161.db2.gz ABBJGWSFAACZDO-MQSCRBSSSA-N 0 1 464.905 4.414 50 10 JICAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778844 194957122 /nfs/dbraw/zinc/95/71/22/194957122.db2.gz VKFCDYWGLGRVSW-XZOQPEGZSA-N 0 1 459.933 4.467 50 10 JICAMN COc1cc(OC)c(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000085876941 522783613 /nfs/dbraw/zinc/78/36/13/522783613.db2.gz GZZYGLKOGVGFBE-UHFFFAOYSA-N 0 1 465.462 4.309 50 10 biogenic JICAMN C[N@@H+](Cc1ccccc1)Cc1cc(I)cc(I)c1[O-] ZINC000016662923 523348044 /nfs/dbraw/zinc/34/80/44/523348044.db2.gz IJVWXECUPWJGMU-UHFFFAOYSA-N 0 1 479.099 4.233 50 10 JICAMN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NCCN4CCN(C)CC4)cc2)CCCCC3)c1 ZINC000033114820 525711087 /nfs/dbraw/zinc/71/10/87/525711087.db2.gz DSDOSKWTUWLRMU-UHFFFAOYSA-N 0 1 486.660 4.399 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OC ZINC000096234383 535658955 /nfs/dbraw/zinc/65/89/55/535658955.db2.gz RZCIJRLAOVORDH-GIDUJCDVSA-N 0 1 451.331 4.232 50 10 JICAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000000660447 553739138 /nfs/dbraw/zinc/73/91/38/553739138.db2.gz HXMVAOBETLEZFA-UYRXBGFRSA-N 0 1 462.527 4.444 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000000716407 553768812 /nfs/dbraw/zinc/76/88/12/553768812.db2.gz UXXXFCGEVJYIHC-MHWRWJLKSA-N 0 1 489.391 4.386 50 10 JICAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCCC3)ccc21 ZINC000009138290 554933701 /nfs/dbraw/zinc/93/37/01/554933701.db2.gz BPGFVZDWCJFRKK-HSZRJFAPSA-N 0 1 472.992 4.143 50 10 JICAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(N(C)C)cc1 ZINC000009778227 555496839 /nfs/dbraw/zinc/49/68/39/555496839.db2.gz TWTGJYUQHDJXPP-DHIUTWEWSA-N 0 1 459.933 4.467 50 10 JICAMN CC[C@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013660126 555555827 /nfs/dbraw/zinc/55/58/27/555555827.db2.gz CEIGJHMFFLPSKB-PAJXCOJRSA-N 0 1 461.518 4.336 50 10 JICAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013689348 555582930 /nfs/dbraw/zinc/58/29/30/555582930.db2.gz OBHUPPRMYBJYSQ-XKZIYDEJSA-N 0 1 489.484 4.328 50 10 JICAMN COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2c([O-])c(C(=O)N3CCOCC3)cc3ccccc32)c1 ZINC000014237236 555739628 /nfs/dbraw/zinc/73/96/28/555739628.db2.gz PEIVOMNHRGPHAD-VWLOTQADSA-N 0 1 476.573 4.372 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000022130569 555879754 /nfs/dbraw/zinc/87/97/54/555879754.db2.gz ZGATYJSDZSMOPS-XNTDXEJSSA-N 0 1 475.364 4.078 50 10 JICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000012363187 555958594 /nfs/dbraw/zinc/95/85/94/555958594.db2.gz GAFZRADZSROXCN-ODLFYWEKSA-N 0 1 481.375 4.083 50 10 JICAMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000012364237 555959333 /nfs/dbraw/zinc/95/93/33/555959333.db2.gz VYBHLFYXZKRUJL-SXGWCWSVSA-N 0 1 493.950 4.207 50 10 JICAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000015769381 555988354 /nfs/dbraw/zinc/98/83/54/555988354.db2.gz GBSCCORFNMTVOL-RQZCQDPDSA-N 0 1 453.907 4.139 50 10 JICAMN COC(=O)C[C@H](c1ccnn1C(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221227 569738646 /nfs/dbraw/zinc/73/86/46/569738646.db2.gz GWYYONZBSVBPSG-OAHLLOKOSA-N 0 1 464.474 4.049 50 10 biogenic JICAMN COC(=O)C[C@H]1c2c(nc3sccn32)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221744 569739117 /nfs/dbraw/zinc/73/91/17/569739117.db2.gz DXVJAXVAXKEUNV-GFCCVEGCSA-N 0 1 476.466 4.381 50 10 biogenic JICAMN COC(=O)C[C@@H](c1cccc2nccnc21)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221923 569739209 /nfs/dbraw/zinc/73/92/09/569739209.db2.gz OKEDDNUCCRQTEW-INIZCTEOSA-N 0 1 484.464 4.215 50 10 biogenic JICAMN COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222248 569739389 /nfs/dbraw/zinc/73/93/89/569739389.db2.gz WULUNHUSIGHELC-QGZVFWFLSA-N 0 1 490.464 4.058 50 10 biogenic JICAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000001084684 194021072 /nfs/dbraw/zinc/02/10/72/194021072.db2.gz BRPPOZVIVFYVTO-UYRXBGFRSA-N 0 1 481.302 4.347 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1O ZINC000009323219 194691502 /nfs/dbraw/zinc/69/15/02/194691502.db2.gz KBNHNAPIESLYAY-RIYZIHGNSA-N 0 1 475.364 4.002 50 10 JICAMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000001164052 520770551 /nfs/dbraw/zinc/77/05/51/520770551.db2.gz SXKWVPFAFRMPHP-OVCLIPMQSA-N 0 1 493.354 4.217 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1 ZINC000008610767 524423489 /nfs/dbraw/zinc/42/34/89/524423489.db2.gz AFZQWSGNRVPXIS-UHFFFAOYSA-N 0 1 475.618 4.038 50 10 JICAMN O=S(=O)([N-]c1cccc(N2CCC([N@H+](CCO)Cc3ccccc3)CC2)c1)c1ccc(F)cc1 ZINC000012242671 527254200 /nfs/dbraw/zinc/25/42/00/527254200.db2.gz SRFVPQJJEYSMKL-UHFFFAOYSA-N 0 1 483.609 4.090 50 10 JICAMN O=S(=O)([N-]c1cccc(N2CCC([N@@H+](CCO)Cc3ccccc3)CC2)c1)c1ccc(F)cc1 ZINC000012242671 527254202 /nfs/dbraw/zinc/25/42/02/527254202.db2.gz SRFVPQJJEYSMKL-UHFFFAOYSA-N 0 1 483.609 4.090 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)NC1=S ZINC000000655841 553736199 /nfs/dbraw/zinc/73/61/99/553736199.db2.gz BAYPANHOPVNOFK-QGOAFFKASA-N 0 1 470.392 4.189 50 10 JICAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000001184217 553930042 /nfs/dbraw/zinc/93/00/42/553930042.db2.gz DPICWDAYTMOSAI-AQTBWJFISA-N 0 1 450.466 4.375 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000002316573 554146004 /nfs/dbraw/zinc/14/60/04/554146004.db2.gz JODIXHFLOIJLQL-KQWNVCNZSA-N 0 1 469.497 4.365 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2C(C)C)cc1 ZINC000002503812 554230289 /nfs/dbraw/zinc/23/02/89/554230289.db2.gz XUJUOIYPCIBZKX-UHFFFAOYSA-N 0 1 475.588 4.466 50 10 JICAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006198399 554519387 /nfs/dbraw/zinc/51/93/87/554519387.db2.gz FXZGXLIDYOHAJA-XQNSMLJCSA-N 0 1 452.580 4.197 50 10 JICAMN Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000008913878 554806827 /nfs/dbraw/zinc/80/68/27/554806827.db2.gz DCNAPGMSXTZUNI-XQNSMLJCSA-N 0 1 460.486 4.302 50 10 JICAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009138453 554933858 /nfs/dbraw/zinc/93/38/58/554933858.db2.gz SSEYIBJJOQDDOT-DEOSSOPVSA-N 0 1 469.029 4.313 50 10 JICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000009311378 555087724 /nfs/dbraw/zinc/08/77/24/555087724.db2.gz ZJGHNZWFRHPWHQ-WJDWOHSUSA-N 0 1 483.889 4.348 50 10 JICAMN COc1cccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000009434393 555205359 /nfs/dbraw/zinc/20/53/59/555205359.db2.gz TYCZMLJTZAMVBD-JCMHNJIXSA-N 0 1 464.905 4.268 50 10 JICAMN O=S(=O)([N-]c1cccc(N2CCC([NH2+]CCc3cccs3)CC2)c1)c1ccc(F)cc1 ZINC000011839888 555832875 /nfs/dbraw/zinc/83/28/75/555832875.db2.gz QWUUZKBWBQZYEW-UHFFFAOYSA-N 0 1 459.612 4.489 50 10 JICAMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000015013466 555855159 /nfs/dbraw/zinc/85/51/59/555855159.db2.gz WEJUNMDVTUUGOR-STZFKDTASA-N 0 1 487.581 4.329 50 10 JICAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000015013853 555855446 /nfs/dbraw/zinc/85/54/46/555855446.db2.gz FHCRRAYQSPXYON-CPNJWEJPSA-N 0 1 460.559 4.467 50 10 JICAMN Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000015745770 555984001 /nfs/dbraw/zinc/98/40/01/555984001.db2.gz WXOZKPZVVQWGIE-HAHDFKILSA-N 0 1 494.576 4.420 50 10 JICAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)n2)cc1 ZINC000012589749 556085937 /nfs/dbraw/zinc/08/59/37/556085937.db2.gz ALSJNDUPXMLEGV-QFIPXVFZSA-N 0 1 465.623 4.146 50 10 JICAMN CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCc3ccccc3C2)cc1 ZINC000016914244 556178255 /nfs/dbraw/zinc/17/82/55/556178255.db2.gz NECQDSCACFRYEW-AREMUKBSSA-N 0 1 467.569 4.388 50 10 JICAMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000017145906 556225866 /nfs/dbraw/zinc/22/58/66/556225866.db2.gz TUSDUPSDUZRTMZ-XKZIYDEJSA-N 0 1 476.533 4.023 50 10 JICAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(C)C3=O)c1C)CCCC2 ZINC000033927761 569637884 /nfs/dbraw/zinc/63/78/84/569637884.db2.gz OPNMUCMNGIQRPP-WJDWOHSUSA-N 0 1 455.536 4.143 50 10 JICAMN COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 ZINC000035560531 569704163 /nfs/dbraw/zinc/70/41/63/569704163.db2.gz WZAKSVQZMWASEQ-HHHXNRCGSA-N 0 1 459.590 4.299 50 10 JICAMN COc1ccc2occ([C@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)c2c1 ZINC000096114277 569733313 /nfs/dbraw/zinc/73/33/13/569733313.db2.gz MUYHCGYDOWMTBU-OAHLLOKOSA-N 0 1 498.443 4.427 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096115987 569734834 /nfs/dbraw/zinc/73/48/34/569734834.db2.gz UDZUGYBUAQIGPE-OAHLLOKOSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COC(=O)C[C@H](c1cccc2nccnc21)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221924 569739245 /nfs/dbraw/zinc/73/92/45/569739245.db2.gz OKEDDNUCCRQTEW-MRXNPFEDSA-N 0 1 484.464 4.215 50 10 biogenic JICAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000001170513 194059607 /nfs/dbraw/zinc/05/96/07/194059607.db2.gz OLJCSVZGYWKVQM-UHFFFAOYSA-N 0 1 450.878 4.220 50 10 JICAMN O=C1C[C@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000001804901 194143405 /nfs/dbraw/zinc/14/34/05/194143405.db2.gz IBIPBNNCCNTNRT-CRNMQVKPSA-N 0 1 480.464 4.378 50 10 JICAMN O=C1CC(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000001804901 194143407 /nfs/dbraw/zinc/14/34/07/194143407.db2.gz IBIPBNNCCNTNRT-CRNMQVKPSA-N 0 1 480.464 4.378 50 10 JICAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009186487 194583404 /nfs/dbraw/zinc/58/34/04/194583404.db2.gz OZJNXQZYFVRMAD-BUVRLJJBSA-N 0 1 465.509 4.360 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)cc1 ZINC000009919805 195023434 /nfs/dbraw/zinc/02/34/34/195023434.db2.gz WVJQRDUYCQHGKG-UHFFFAOYSA-N 0 1 481.600 4.248 50 10 JICAMN CCOC(=O)N1CC[NH+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)CC1 ZINC000041586122 520952892 /nfs/dbraw/zinc/95/28/92/520952892.db2.gz KQTCWRSNDJNIOB-UHFFFAOYSA-N 0 1 465.531 4.049 50 10 JICAMN CCC[N@H+](Cc1cc(I)cc(I)c1[O-])CC1CC1 ZINC000016662905 521681310 /nfs/dbraw/zinc/68/13/10/521681310.db2.gz LLQGWGAUZWPDNN-UHFFFAOYSA-N 0 1 471.120 4.223 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)c(C(F)(F)F)oc32)CC1 ZINC000020390542 521686614 /nfs/dbraw/zinc/68/66/14/521686614.db2.gz SCQOIQXRJJVQOF-UHFFFAOYSA-N 0 1 462.468 4.331 50 10 JICAMN CN1CCN([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734791 523920126 /nfs/dbraw/zinc/92/01/26/523920126.db2.gz DOTGWYGYZDUIOC-SSEXGKCCSA-N 0 1 482.672 4.383 50 10 JICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000009259419 526088531 /nfs/dbraw/zinc/08/85/31/526088531.db2.gz JNARCVDXDMNKBQ-GRSHGNNSSA-N 0 1 495.402 4.391 50 10 JICAMN CC(=O)O[C@@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000000974878 553888390 /nfs/dbraw/zinc/88/83/90/553888390.db2.gz FRDWBYRDTKNHAO-ZUUBQXCWSA-N 0 1 456.583 4.048 50 10 biogenic JICAMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000001180213 553928567 /nfs/dbraw/zinc/92/85/67/553928567.db2.gz JQBKNWVNYJWGIS-PTNGSMBKSA-N 0 1 451.435 4.134 50 10 JICAMN CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000006389413 554533158 /nfs/dbraw/zinc/53/31/58/554533158.db2.gz YEZHNURGJKGJIB-ZHZULCJRSA-N 0 1 451.935 4.361 50 10 JICAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000007003497 554563222 /nfs/dbraw/zinc/56/32/22/554563222.db2.gz AKHWPJYWHAXCOV-UVTDQMKNSA-N 0 1 471.853 4.479 50 10 JICAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 ZINC000009165297 554950797 /nfs/dbraw/zinc/95/07/97/554950797.db2.gz VLNNJAZWWFLCRY-QHCPKHFHSA-N 0 1 488.554 4.370 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009169443 554952932 /nfs/dbraw/zinc/95/29/32/554952932.db2.gz XFYICOUPKCMXPG-WJDWOHSUSA-N 0 1 453.863 4.340 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013569995 555508039 /nfs/dbraw/zinc/50/80/39/555508039.db2.gz YBKZWPQIFUIJAX-BOPFTXTBSA-N 0 1 453.863 4.340 50 10 JICAMN CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000009805948 555518595 /nfs/dbraw/zinc/51/85/95/555518595.db2.gz FREIDEGUTUBKRE-UHFFFAOYSA-N 0 1 458.002 4.005 50 10 JICAMN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000013616229 555536217 /nfs/dbraw/zinc/53/62/17/555536217.db2.gz GEWXQBAIYRXULQ-OEAKJJBVSA-N 0 1 473.554 4.159 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000013660439 555556268 /nfs/dbraw/zinc/55/62/68/555556268.db2.gz XZVAVCSNKUWTLW-HMAPJEAMSA-N 0 1 490.512 4.025 50 10 JICAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000015658604 555922511 /nfs/dbraw/zinc/92/25/11/555922511.db2.gz IEJUZSVZVPQRNT-WQRHYEAKSA-N 0 1 454.914 4.254 50 10 JICAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc5sc(C)nc5c4)C3)CC2)cc1 ZINC000067920687 569691092 /nfs/dbraw/zinc/69/10/92/569691092.db2.gz WHHSEAYQPAMICD-OAQYLSRUSA-N 0 1 450.608 4.040 50 10 JICAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OC ZINC000096114312 569733496 /nfs/dbraw/zinc/73/34/96/569733496.db2.gz BEBKDZODXNFLFY-AWEZNQCLSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COC(=O)C[C@H](c1cccc(OC)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114850 569733893 /nfs/dbraw/zinc/73/38/93/569733893.db2.gz UJJQDONEMFYLNK-QGZVFWFLSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000096115023 569734094 /nfs/dbraw/zinc/73/40/94/569734094.db2.gz XJIPNBGSDAVWMA-CQSZACIVSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc2c1OCCO2 ZINC000096116160 569735171 /nfs/dbraw/zinc/73/51/71/569735171.db2.gz LXLKCPMTQBGDKW-OAHLLOKOSA-N 0 1 488.448 4.092 50 10 biogenic JICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000096221842 569739213 /nfs/dbraw/zinc/73/92/13/569739213.db2.gz OVTMIOSDCAPCSN-INIZCTEOSA-N 0 1 470.433 4.446 50 10 biogenic JICAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248153967 570075673 /nfs/dbraw/zinc/07/56/73/570075673.db2.gz HREGDWNIIVDENQ-QFIPXVFZSA-N 0 1 475.637 4.187 50 10 JICAMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000012411320 520770471 /nfs/dbraw/zinc/77/04/71/520770471.db2.gz KTEPEGCXCOPYRU-XNTDXEJSSA-N 0 1 489.391 4.386 50 10 JICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 ZINC000000980472 553890719 /nfs/dbraw/zinc/89/07/19/553890719.db2.gz CAFQXXGPAGTPKX-PDGQHHTCSA-N 0 1 467.344 4.442 50 10 JICAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000002156323 554072568 /nfs/dbraw/zinc/07/25/68/554072568.db2.gz QPIYHPLJAJBGIG-AQTBWJFISA-N 0 1 452.333 4.071 50 10 JICAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)c(O)c4)cs3)cc2)n1 ZINC000002812986 554361220 /nfs/dbraw/zinc/36/12/20/554361220.db2.gz OGKZYNKIGAYRLS-UHFFFAOYSA-N 0 1 469.548 4.173 50 10 JICAMN CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000002902734 554410333 /nfs/dbraw/zinc/41/03/33/554410333.db2.gz FWZMMUHPVAKSKN-UHFFFAOYSA-N 0 1 462.333 4.168 50 10 JICAMN COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000009113060 554900502 /nfs/dbraw/zinc/90/05/02/554900502.db2.gz CZYYOCLIYYQCCO-KGENOOAVSA-N 0 1 494.931 4.276 50 10 JICAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCCC3)ccc21 ZINC000009138293 554933554 /nfs/dbraw/zinc/93/35/54/554933554.db2.gz BPGFVZDWCJFRKK-QHCPKHFHSA-N 0 1 472.992 4.143 50 10 JICAMN Cc1ccc(OCCOCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1C ZINC000013894470 555642112 /nfs/dbraw/zinc/64/21/12/555642112.db2.gz MERQTDDPHYVBLP-XHPQRKPJSA-N 0 1 472.541 4.239 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000022215351 555884887 /nfs/dbraw/zinc/88/48/87/555884887.db2.gz GAFZRADZSROXCN-YBFXNURJSA-N 0 1 481.375 4.083 50 10 JICAMN CN(C)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000071328675 569697060 /nfs/dbraw/zinc/69/70/60/569697060.db2.gz BGTPWQFCFBINNO-NRFANRHFSA-N 0 1 452.507 4.223 50 10 JICAMN COc1ccc2[nH]c(=O)c(-c3c4oc5c(ccc(O)c5O)c4nc4c3c(=O)[nH]n4C(C)C)cc2c1 ZINC000085880053 569716491 /nfs/dbraw/zinc/71/64/91/569716491.db2.gz ZMZDWPNDIRJNPD-UHFFFAOYSA-N 0 1 472.457 4.133 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2cc3cccc4c3n(c2=O)CC4)CC(=O)O1 ZINC000096114281 569733274 /nfs/dbraw/zinc/73/32/74/569733274.db2.gz BKAGTRAUACINDV-QGZVFWFLSA-N 0 1 493.471 4.183 50 10 biogenic JICAMN COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc2c1OCCO2 ZINC000096116159 569735061 /nfs/dbraw/zinc/73/50/61/569735061.db2.gz LXLKCPMTQBGDKW-HNNXBMFYSA-N 0 1 488.448 4.092 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccc(-n2cccn2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221457 569738775 /nfs/dbraw/zinc/73/87/75/569738775.db2.gz DTYKDTXZLXJECB-IBGZPJMESA-N 0 1 498.491 4.458 50 10 biogenic JICAMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000001147753 520649044 /nfs/dbraw/zinc/64/90/44/520649044.db2.gz IPCSBTOQHPFXDL-CXUHLZMHSA-N 0 1 489.391 4.305 50 10 JICAMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000001195044 520770513 /nfs/dbraw/zinc/77/05/13/520770513.db2.gz DNTVTCKEYMSTJT-XNTDXEJSSA-N 0 1 475.364 4.078 50 10 JICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(OCC)c1 ZINC000016689325 520847437 /nfs/dbraw/zinc/84/74/37/520847437.db2.gz FTVRVQSCJVQRIA-BOPFTXTBSA-N 0 1 475.364 4.078 50 10 JICAMN CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)ccc1Cl ZINC000033333434 521422268 /nfs/dbraw/zinc/42/22/68/521422268.db2.gz XSIMRXXNJYKPIQ-CPNJWEJPSA-N 0 1 494.887 4.025 50 10 JICAMN COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000001199413 523219626 /nfs/dbraw/zinc/21/96/26/523219626.db2.gz MJXJPTQKXGAFRX-WOJGMQOQSA-N 0 1 468.531 4.042 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1 ZINC000008610251 524424779 /nfs/dbraw/zinc/42/47/79/524424779.db2.gz MTXKHMLSLBWAIO-UHFFFAOYSA-N 0 1 493.677 4.237 50 10 JICAMN Cc1cccc(Sc2nccnc2SCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000033289088 524811939 /nfs/dbraw/zinc/81/19/39/524811939.db2.gz VLRQVCQXJVAZME-UHFFFAOYSA-N 0 1 479.675 4.097 50 10 JICAMN COc1ccc2ccc(O)c(CN3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2c1 ZINC000022791574 525648830 /nfs/dbraw/zinc/64/88/30/525648830.db2.gz BXQHHHFOHKEDKQ-UHFFFAOYSA-N 0 1 473.495 4.329 50 10 JICAMN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000000659534 553738525 /nfs/dbraw/zinc/73/85/25/553738525.db2.gz NHTQAHOZVBYSNE-XSFVSMFZSA-N 0 1 496.304 4.332 50 10 JICAMN Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000002215920 554097974 /nfs/dbraw/zinc/09/79/74/554097974.db2.gz DCNAPGMSXTZUNI-KQWNVCNZSA-N 0 1 460.486 4.098 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000008450474 554596453 /nfs/dbraw/zinc/59/64/53/554596453.db2.gz VOZQUULSRWWGIC-PXLXIMEGSA-N 0 1 452.539 4.474 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1Cl ZINC000008768797 554669354 /nfs/dbraw/zinc/66/93/54/554669354.db2.gz INHGREOOVGNRMG-QGOAFFKASA-N 0 1 496.903 4.266 50 10 JICAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1Cl ZINC000009138358 554933644 /nfs/dbraw/zinc/93/36/44/554933644.db2.gz LVUHUVYXKZBQSN-HSZRJFAPSA-N 0 1 485.028 4.013 50 10 JICAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 ZINC000009165186 554950745 /nfs/dbraw/zinc/95/07/45/554950745.db2.gz ZGKVLXUUQGYZOP-HSZRJFAPSA-N 0 1 455.002 4.004 50 10 JICAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000013546585 555490017 /nfs/dbraw/zinc/49/00/17/555490017.db2.gz PDCKCYAVFBXTJM-WOJGMQOQSA-N 0 1 451.435 4.134 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013570945 555509651 /nfs/dbraw/zinc/50/96/51/555509651.db2.gz WHEBRZDZFFQGHS-KEBDBYFISA-N 0 1 480.933 4.487 50 10 JICAMN CCOC(=O)C1C(CN(C)c2ccc(OCC)cc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214599 555710396 /nfs/dbraw/zinc/71/03/96/555710396.db2.gz SKFCXNFPLWTNPB-XMMPIXPASA-N 0 1 467.566 4.180 50 10 JICAMN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c3oc2=O)cc1 ZINC000011865354 555839947 /nfs/dbraw/zinc/83/99/47/555839947.db2.gz SEWGKYURSPFCRW-QUCCMNQESA-N 0 1 484.552 4.264 50 10 biogenic JICAMN O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4cc(Cl)ccc4[O-])CC3)ccc2o1 ZINC000015007091 555851652 /nfs/dbraw/zinc/85/16/52/555851652.db2.gz DOJBLMLPAGTTFR-OAQYLSRUSA-N 0 1 484.980 4.184 50 10 JICAMN Cc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1ccc(I)cc1 ZINC000025336441 556209463 /nfs/dbraw/zinc/20/94/63/556209463.db2.gz AACCLWNDEMJBPD-IBGZPJMESA-N 0 1 482.329 4.145 50 10 JICAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC ZINC000096114135 569733217 /nfs/dbraw/zinc/73/32/17/569733217.db2.gz IXKURLIOXAABTK-OAHLLOKOSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC ZINC000096114135 569733218 /nfs/dbraw/zinc/73/32/18/569733218.db2.gz IXKURLIOXAABTK-OAHLLOKOSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000001124500 194035424 /nfs/dbraw/zinc/03/54/24/194035424.db2.gz DZDZQAMKAQDRPD-XYOKQWHBSA-N 0 1 465.756 4.251 50 10 JICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000002971563 194188786 /nfs/dbraw/zinc/18/87/86/194188786.db2.gz MYWVJQRWDFGGBM-JXMROGBWSA-N 0 1 472.147 4.293 50 10 JICAMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000003124925 194228849 /nfs/dbraw/zinc/22/88/49/194228849.db2.gz QIFYFABLKBEEMZ-UHFFFAOYSA-N 0 1 466.968 4.264 50 10 JICAMN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000009933369 195025214 /nfs/dbraw/zinc/02/52/14/195025214.db2.gz NLSMDMJJDVDBGB-NVNXTCNLSA-N 0 1 493.368 4.075 50 10 JICAMN COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)cc1OC ZINC000012409243 522834935 /nfs/dbraw/zinc/83/49/35/522834935.db2.gz QLHDCDOAVWXHKS-QGZVFWFLSA-N 0 1 464.518 4.150 50 10 JICAMN C[C@H](Cc1cncs1)[NH2+]C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246639 524765293 /nfs/dbraw/zinc/76/52/93/524765293.db2.gz BCTFZSMFFVZZGY-QGZVFWFLSA-N 0 1 474.627 4.273 50 10 JICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000015012541 526089507 /nfs/dbraw/zinc/08/95/07/526089507.db2.gz VOZQUULSRWWGIC-JCMHNJIXSA-N 0 1 452.539 4.474 50 10 JICAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000001178905 553927802 /nfs/dbraw/zinc/92/78/02/553927802.db2.gz DWAYQMNFJNUTIP-UHFFFAOYSA-N 0 1 463.259 4.156 50 10 JICAMN Cc1nc2cc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)ccc2[nH]1 ZINC000008430167 554583242 /nfs/dbraw/zinc/58/32/42/554583242.db2.gz PNGMDRAMLIFCDG-MHWRWJLKSA-N 0 1 457.275 4.194 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008842996 554740304 /nfs/dbraw/zinc/74/03/04/554740304.db2.gz RWJWLGVCNJVKOU-WSDLNYQXSA-N 0 1 472.541 4.278 50 10 JICAMN CC(=O)Nc1cccc2cccc(NC=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c21 ZINC000009459094 555226933 /nfs/dbraw/zinc/22/69/33/555226933.db2.gz RFQUCJFINBYRLB-SFQUDFHCSA-N 0 1 464.934 4.195 50 10 JICAMN CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013660124 555555870 /nfs/dbraw/zinc/55/58/70/555555870.db2.gz CEIGJHMFFLPSKB-MPGAHLTBSA-N 0 1 461.518 4.336 50 10 JICAMN CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])c(C[NH+]2CCN(C)CC2)c1O ZINC000022854538 555960913 /nfs/dbraw/zinc/96/09/13/555960913.db2.gz QMGAOHKENZPTEM-UHFFFAOYSA-N 0 1 463.607 4.383 50 10 JICAMN COc1ccc2cc(-c3c4oc5c(ccc(O)c5O)c4nc4c3c(=O)[nH]n4C(C)C)c(=O)n(C)c2c1 ZINC000085877367 569716028 /nfs/dbraw/zinc/71/60/28/569716028.db2.gz YULFGHKGFONJEF-UHFFFAOYSA-N 0 1 486.484 4.144 50 10 biogenic JICAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000096115022 569734080 /nfs/dbraw/zinc/73/40/80/569734080.db2.gz XJIPNBGSDAVWMA-AWEZNQCLSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221745 569739040 /nfs/dbraw/zinc/73/90/40/569739040.db2.gz DXVJAXVAXKEUNV-LBPRGKRZSA-N 0 1 476.466 4.381 50 10 biogenic JICAMN CC(=O)O[C@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000004016732 194369962 /nfs/dbraw/zinc/36/99/62/194369962.db2.gz FRDWBYRDTKNHAO-ZNQQNMFPSA-N 0 1 456.583 4.048 50 10 biogenic JICAMN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 ZINC000009190701 521033883 /nfs/dbraw/zinc/03/38/83/521033883.db2.gz VAHOSWWFWNJHKE-HMAPJEAMSA-N 0 1 463.534 4.463 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@@H](C)COc1ccccc1 ZINC000008722074 521964258 /nfs/dbraw/zinc/96/42/58/521964258.db2.gz ZXBMNCCZVRQNTQ-CKMDTHJYSA-N 0 1 458.514 4.251 50 10 JICAMN Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000016349481 524570032 /nfs/dbraw/zinc/57/00/32/524570032.db2.gz NOIZVDUABPXIIM-BOPFTXTBSA-N 0 1 468.263 4.387 50 10 JICAMN NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000033316932 526913596 /nfs/dbraw/zinc/91/35/96/526913596.db2.gz SQCLDDMZZPGKJR-MDWZMJQESA-N 0 1 473.341 4.105 50 10 JICAMN CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)ccc1Cl ZINC000000666836 553742863 /nfs/dbraw/zinc/74/28/63/553742863.db2.gz XSIMRXXNJYKPIQ-UYRXBGFRSA-N 0 1 494.887 4.025 50 10 JICAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000000693964 553759571 /nfs/dbraw/zinc/75/95/71/553759571.db2.gz KCDMMEJWVNWSJU-QGOAFFKASA-N 0 1 452.333 4.071 50 10 JICAMN Cc1cccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000002229414 554104576 /nfs/dbraw/zinc/10/45/76/554104576.db2.gz CRPBAJABKSRKBI-KQWNVCNZSA-N 0 1 460.486 4.098 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000002313608 554144390 /nfs/dbraw/zinc/14/43/90/554144390.db2.gz RCERAGLLOKCSRV-HMAPJEAMSA-N 0 1 473.460 4.114 50 10 JICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000006997638 554563196 /nfs/dbraw/zinc/56/31/96/554563196.db2.gz MURYFVBWENEDTA-GDNBJRDFSA-N 0 1 471.853 4.479 50 10 JICAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1Cl ZINC000009138361 554933539 /nfs/dbraw/zinc/93/35/39/554933539.db2.gz LVUHUVYXKZBQSN-QHCPKHFHSA-N 0 1 485.028 4.013 50 10 JICAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009778225 555496791 /nfs/dbraw/zinc/49/67/91/555496791.db2.gz TWTGJYUQHDJXPP-GOTSBHOMSA-N 0 1 459.933 4.467 50 10 JICAMN Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1C ZINC000013688416 555581699 /nfs/dbraw/zinc/58/16/99/555581699.db2.gz MSZXYSMSXCTPCA-JLPGSUDCSA-N 0 1 474.513 4.406 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCc5ccccc54)s3)CC2)cc1 ZINC000015732275 555976767 /nfs/dbraw/zinc/97/67/67/555976767.db2.gz NEOKXZPPNUFBDX-UHFFFAOYSA-N 0 1 476.646 4.393 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1 ZINC000008706074 569594386 /nfs/dbraw/zinc/59/43/86/569594386.db2.gz JFUNFEXHUZDNAH-HAVVHWLPSA-N 0 1 458.514 4.313 50 10 JICAMN Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)c1 ZINC000033332148 569624820 /nfs/dbraw/zinc/62/48/20/569624820.db2.gz DHWATHHFVOAOLR-STZFKDTASA-N 0 1 472.570 4.244 50 10 JICAMN COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 ZINC000035560534 569704137 /nfs/dbraw/zinc/70/41/37/569704137.db2.gz WZAKSVQZMWASEQ-MHZLTWQESA-N 0 1 459.590 4.299 50 10 JICAMN COc1ccc2cc([C@H]3CC(=O)Oc4c(O)c(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)[nH]c2c1 ZINC000096114628 569733611 /nfs/dbraw/zinc/73/36/11/569733611.db2.gz BHIOGNOLCAUWOR-MRXNPFEDSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COc1ccc2cc([C@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c2c1 ZINC000096114628 569733613 /nfs/dbraw/zinc/73/36/13/569733613.db2.gz BHIOGNOLCAUWOR-MRXNPFEDSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccnn1C(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221229 569738803 /nfs/dbraw/zinc/73/88/03/569738803.db2.gz GWYYONZBSVBPSG-HNNXBMFYSA-N 0 1 464.474 4.049 50 10 biogenic JICAMN COc1ccc(C(=O)c2coc3ccc([O-])c(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c23)cc1 ZINC000225418290 569995881 /nfs/dbraw/zinc/99/58/81/569995881.db2.gz MRKJLCHNYSLWDS-MJGOQNOKSA-N 0 1 470.525 4.159 50 10 biogenic JICAMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S ZINC000002981910 194194065 /nfs/dbraw/zinc/19/40/65/194194065.db2.gz BFKNQIVHSIAYAY-QGOAFFKASA-N 0 1 466.360 4.380 50 10 JICAMN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O ZINC000003865703 194365518 /nfs/dbraw/zinc/36/55/18/194365518.db2.gz WRZSYUYCQDAHLY-JKLBGJETSA-N 0 1 469.544 4.477 50 10 JICAMN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165179 194576975 /nfs/dbraw/zinc/57/69/75/194576975.db2.gz KMRDQTCHYITFCX-QHCPKHFHSA-N 0 1 485.028 4.013 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc32)CC1 ZINC000020605042 195180850 /nfs/dbraw/zinc/18/08/50/195180850.db2.gz FLSXPNCJRSATFT-UHFFFAOYSA-N 0 1 466.921 4.063 50 10 JICAMN CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000022635631 519690642 /nfs/dbraw/zinc/69/06/42/519690642.db2.gz ANUZWMFKYZYRRF-INIZCTEOSA-N 0 1 456.793 4.490 50 10 JICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000001186097 520847806 /nfs/dbraw/zinc/84/78/06/520847806.db2.gz KSILZXSCXSWNLT-ZROIWOOFSA-N 0 1 465.756 4.333 50 10 JICAMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 ZINC000016264973 520918480 /nfs/dbraw/zinc/91/84/80/520918480.db2.gz ITRLDRQUSRUCTC-WOJGMQOQSA-N 0 1 465.893 4.360 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Br)cc4)c(C)oc32)CC1 ZINC000020438610 521687340 /nfs/dbraw/zinc/68/73/40/521687340.db2.gz AGCDNMDHDKQHOB-UHFFFAOYSA-N 0 1 457.368 4.374 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000002302550 526167910 /nfs/dbraw/zinc/16/79/10/526167910.db2.gz FRWAKJRUWHBCMQ-QGOAFFKASA-N 0 1 466.360 4.380 50 10 JICAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002268858 554125909 /nfs/dbraw/zinc/12/59/09/554125909.db2.gz GRCQCTYYVWXQJH-LICLKQGHSA-N 0 1 453.907 4.139 50 10 JICAMN Cc1c(NCc2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C ZINC000002313282 554144409 /nfs/dbraw/zinc/14/44/09/554144409.db2.gz VLGFJVUNIWVGPX-UHFFFAOYSA-N 0 1 467.161 4.327 50 10 JICAMN Cn1c(=O)cc2c3c1ccc(NS(=O)(=O)c1ccc(Br)cc1)c3C(=O)c1ccccc1-2 ZINC000002486860 554226710 /nfs/dbraw/zinc/22/67/10/554226710.db2.gz YRJFDWBHWFPUQY-UHFFFAOYSA-N 0 1 495.354 4.313 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cccc(C)c1 ZINC000008767815 554668476 /nfs/dbraw/zinc/66/84/76/554668476.db2.gz JHFDTSICOLKNQC-PXLXIMEGSA-N 0 1 490.512 4.311 50 10 JICAMN CCOc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)c1O ZINC000008928022 554825674 /nfs/dbraw/zinc/82/56/74/554825674.db2.gz ITGNOEWLAFAIOO-KRWDZBQOSA-N 0 1 452.374 4.422 50 10 JICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000009066293 554885804 /nfs/dbraw/zinc/88/58/04/554885804.db2.gz MHGZSDOILSKVMJ-BOPFTXTBSA-N 0 1 483.889 4.348 50 10 JICAMN COc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 ZINC000009465985 555241386 /nfs/dbraw/zinc/24/13/86/555241386.db2.gz RTHQUKSLYCQFNB-XKZIYDEJSA-N 0 1 463.921 4.418 50 10 JICAMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000009514106 555304451 /nfs/dbraw/zinc/30/44/51/555304451.db2.gz KNINGLIMXHYIHF-FYJGNVAPSA-N 0 1 492.528 4.253 50 10 JICAMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)NC2=S)cc1 ZINC000013552399 555492492 /nfs/dbraw/zinc/49/24/92/555492492.db2.gz AYGXALWKXGIUSR-HZHRSRAPSA-N 0 1 487.581 4.274 50 10 JICAMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000022216051 555885224 /nfs/dbraw/zinc/88/52/24/555885224.db2.gz JQBKNWVNYJWGIS-RVDMUPIBSA-N 0 1 451.435 4.134 50 10 JICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000012363060 555958509 /nfs/dbraw/zinc/95/85/09/555958509.db2.gz DLUIMONDXBCDPF-JYRVWZFOSA-N 0 1 465.756 4.251 50 10 JICAMN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 ZINC000017145903 556225895 /nfs/dbraw/zinc/22/58/95/556225895.db2.gz LJWSBTJGKYJNFY-BKUYFWCQSA-N 0 1 491.544 4.160 50 10 JICAMN COc1ccc2cc(-c3c4oc5c(ccc(O)c5O)c4nc4c3c(=O)[nH]n4C(C)C)c(=O)[nH]c2c1 ZINC000085875358 569715727 /nfs/dbraw/zinc/71/57/27/569715727.db2.gz ATDASNROBQPTFR-UHFFFAOYSA-N 0 1 472.457 4.133 50 10 biogenic JICAMN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000100507609 569763184 /nfs/dbraw/zinc/76/31/84/569763184.db2.gz UAXMPAGMKZQCJC-HYARGMPZSA-N 0 1 490.589 4.230 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1C ZINC000036559483 569776551 /nfs/dbraw/zinc/77/65/51/569776551.db2.gz PCLLBHYELKIZIW-RCCKNPSSSA-N 0 1 490.512 4.311 50 10 JICAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1 ZINC000096454287 130084255 /nfs/dbraw/zinc/08/42/55/130084255.db2.gz JFUNFEXHUZDNAH-QJOMJCCJSA-N 0 1 458.514 4.313 50 10 JICAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000008917853 554813597 /nfs/dbraw/zinc/81/35/97/554813597.db2.gz OGUZSLQRGAESJT-GFQWBHFJSA-N 0 1 464.521 4.257 50 10 biogenic JICAMN COc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013550830 555491604 /nfs/dbraw/zinc/49/16/04/555491604.db2.gz VCINFJJKSXGZLV-JWGURIENSA-N 0 1 499.523 4.374 50 10 JICAMN COc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778736 555497678 /nfs/dbraw/zinc/49/76/78/555497678.db2.gz ODYVVASDQBSYRN-GOTSBHOMSA-N 0 1 475.932 4.167 50 10 JICAMN CCOc1cc(OCC)c(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000019877655 555524486 /nfs/dbraw/zinc/52/44/86/555524486.db2.gz SXKWVPFAFRMPHP-NVNXTCNLSA-N 0 1 493.354 4.217 50 10 JICAMN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000010732699 555736638 /nfs/dbraw/zinc/73/66/38/555736638.db2.gz DCQBUWSWESTYOE-UHFFFAOYSA-N 0 1 457.511 4.468 50 10 JICAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1O ZINC000015013456 555855128 /nfs/dbraw/zinc/85/51/28/555855128.db2.gz JCRIVGUQNKAXDA-ZSOIEALJSA-N 0 1 475.364 4.002 50 10 JICAMN CN1C[C@H](c2cccs2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12c1ccccc1N(C)C2=O ZINC000034828948 569662990 /nfs/dbraw/zinc/66/29/90/569662990.db2.gz DUBALWYGBWSREQ-CQLNOVPUSA-N 0 1 495.651 4.041 50 10 JICAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cc2ccccc2n(C)c1=O ZINC000085876510 569715896 /nfs/dbraw/zinc/71/58/96/569715896.db2.gz AMYWMPOERDXYGT-UHFFFAOYSA-N 0 1 456.458 4.135 50 10 biogenic JICAMN COC(=O)C[C@H](c1cc(OC)ccc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221570 569738950 /nfs/dbraw/zinc/73/89/50/569738950.db2.gz OICBMABQXTUXLB-QGZVFWFLSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000001105896 194025511 /nfs/dbraw/zinc/02/55/11/194025511.db2.gz CYAKUFKQFGBSPP-FOWTUZBSSA-N 0 1 470.323 4.210 50 10 JICAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O ZINC000001198585 520623385 /nfs/dbraw/zinc/62/33/85/520623385.db2.gz PWQOMFXEKIVDSX-QPEQYQDCSA-N 0 1 481.755 4.038 50 10 JICAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc1cccc2ccccc21 ZINC000004196114 520692515 /nfs/dbraw/zinc/69/25/15/520692515.db2.gz MHCSIUOVWAOWKY-UHFFFAOYSA-N 0 1 462.527 4.159 50 10 JICAMN COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000001176885 523221319 /nfs/dbraw/zinc/22/13/19/523221319.db2.gz SYKBYTXZKVXDBX-XYOKQWHBSA-N 0 1 495.340 4.225 50 10 JICAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000001161609 527057556 /nfs/dbraw/zinc/05/75/56/527057556.db2.gz TTZPMUQVCIUTAR-LDADJPATSA-N 0 1 470.323 4.210 50 10 JICAMN CCOc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)c1O ZINC000008928024 554825692 /nfs/dbraw/zinc/82/56/92/554825692.db2.gz ITGNOEWLAFAIOO-QGZVFWFLSA-N 0 1 452.374 4.422 50 10 JICAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 ZINC000009138469 554933941 /nfs/dbraw/zinc/93/39/41/554933941.db2.gz KGRMRCVVIQBENX-RUZDIDTESA-N 0 1 462.638 4.276 50 10 JICAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 ZINC000009138465 554933948 /nfs/dbraw/zinc/93/39/48/554933948.db2.gz KGRMRCVVIQBENX-VWLOTQADSA-N 0 1 462.638 4.276 50 10 JICAMN O=C1C[C@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000009244782 555019917 /nfs/dbraw/zinc/01/99/17/555019917.db2.gz LLPMSDBNUDPWPG-NBPJVQFTSA-N 0 1 467.959 4.355 50 10 JICAMN O=C1CC(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000009244782 555019920 /nfs/dbraw/zinc/01/99/20/555019920.db2.gz LLPMSDBNUDPWPG-NBPJVQFTSA-N 0 1 467.959 4.355 50 10 JICAMN Cc1ccc(OCCOCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1C ZINC000009347962 555114152 /nfs/dbraw/zinc/11/41/52/555114152.db2.gz MERQTDDPHYVBLP-LGUFXXKBSA-N 0 1 472.541 4.239 50 10 JICAMN Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000013571018 555509653 /nfs/dbraw/zinc/50/96/53/555509653.db2.gz RYPPKMADDZLSSM-HZHRSRAPSA-N 0 1 460.486 4.016 50 10 JICAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000015012826 555854717 /nfs/dbraw/zinc/85/47/17/555854717.db2.gz WOCCUTZRSLOYMS-UYRXBGFRSA-N 0 1 464.474 4.094 50 10 JICAMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000022310872 555920005 /nfs/dbraw/zinc/92/00/05/555920005.db2.gz UPPFPDBQHRACPY-XDHOZWIPSA-N 0 1 477.498 4.312 50 10 JICAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1 ZINC000096115861 569734823 /nfs/dbraw/zinc/73/48/23/569734823.db2.gz YTVHKTSCFDRXRH-HNNXBMFYSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1 ZINC000102570481 569814370 /nfs/dbraw/zinc/81/43/70/569814370.db2.gz BLFWRFNKVJBEFD-LDADJPATSA-N 0 1 488.891 4.276 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000009919426 195023441 /nfs/dbraw/zinc/02/34/41/195023441.db2.gz GUJWAUUIKZIDSH-UHFFFAOYSA-N 0 1 481.600 4.248 50 10 JICAMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001171189 523336989 /nfs/dbraw/zinc/33/69/89/523336989.db2.gz JAEHIOKHCKMQGG-CPNJWEJPSA-N 0 1 482.359 4.080 50 10 JICAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000001187143 523389596 /nfs/dbraw/zinc/38/95/96/523389596.db2.gz JZWFGPSTPFEVGR-RQZCQDPDSA-N 0 1 498.358 4.248 50 10 JICAMN CN1CCN([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734837 523918170 /nfs/dbraw/zinc/91/81/70/523918170.db2.gz PBIOZJUIHDMLFL-LJAQVGFWSA-N 0 1 468.645 4.455 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S ZINC000001185813 526167658 /nfs/dbraw/zinc/16/76/58/526167658.db2.gz ZCDALFUIUIVSDG-FOWTUZBSSA-N 0 1 474.380 4.172 50 10 JICAMN CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000006387864 554532807 /nfs/dbraw/zinc/53/28/07/554532807.db2.gz AGLZOVHTPXMAIP-ZHZULCJRSA-N 0 1 496.386 4.470 50 10 JICAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 ZINC000009165191 554950765 /nfs/dbraw/zinc/95/07/65/554950765.db2.gz ZGKVLXUUQGYZOP-QHCPKHFHSA-N 0 1 455.002 4.004 50 10 JICAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000009348236 555114342 /nfs/dbraw/zinc/11/43/42/555114342.db2.gz RDKYELOBOPYOIT-ZHZULCJRSA-N 0 1 460.511 4.263 50 10 JICAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(N(C)C)cc1 ZINC000009778223 555496760 /nfs/dbraw/zinc/49/67/60/555496760.db2.gz TWTGJYUQHDJXPP-PKTZIBPZSA-N 0 1 459.933 4.467 50 10 JICAMN CC(C)(C)c1ccc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013659941 555555896 /nfs/dbraw/zinc/55/58/96/555555896.db2.gz KKMHKDUBLZLSIO-JWGURIENSA-N 0 1 461.518 4.120 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000010060001 555611768 /nfs/dbraw/zinc/61/17/68/555611768.db2.gz UMFVNLPMVNKENI-XDHOZWIPSA-N 0 1 479.330 4.498 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000013775477 555616012 /nfs/dbraw/zinc/61/60/12/555616012.db2.gz RTYSHOIAPNKYLB-PXLXIMEGSA-N 0 1 474.488 4.118 50 10 JICAMN COc1ccc(-c2coc3c(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c([O-])cc(C)c3c2=O)cc1 ZINC000011865362 555839807 /nfs/dbraw/zinc/83/98/07/555839807.db2.gz YCCXSMJKAKHBLC-QUCCMNQESA-N 0 1 484.552 4.264 50 10 biogenic JICAMN Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000015799959 556008422 /nfs/dbraw/zinc/00/84/22/556008422.db2.gz MZQZXABLVSLBPY-HAHDFKILSA-N 0 1 469.497 4.488 50 10 JICAMN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OC ZINC000016914292 556178211 /nfs/dbraw/zinc/17/82/11/556178211.db2.gz WXAXMMFBKNOAIO-RUZDIDTESA-N 0 1 459.590 4.299 50 10 JICAMN COC(=O)c1sc(Oc2cc(-n3cnc4cc(OC)c(OC)cc43)sc2C(=O)OC)cc1O ZINC000071405456 569697212 /nfs/dbraw/zinc/69/72/12/569697212.db2.gz XQQKAXYYEGXXLV-UHFFFAOYSA-N 0 1 490.515 4.237 50 10 JICAMN COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000035560572 569704158 /nfs/dbraw/zinc/70/41/58/569704158.db2.gz FYNRVUZZWWMVPS-VWLOTQADSA-N 0 1 459.590 4.056 50 10 JICAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1O ZINC000085875012 569715729 /nfs/dbraw/zinc/71/57/29/569715729.db2.gz AJOUAOUXPCGERS-UHFFFAOYSA-N 0 1 451.435 4.006 50 10 biogenic JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1O ZINC000001407671 194116091 /nfs/dbraw/zinc/11/60/91/194116091.db2.gz WFZDZGXEWJRPPK-YRNVUSSQSA-N 0 1 481.755 4.038 50 10 JICAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(C)C3=O)c1C)CCCC2 ZINC000002063971 194156553 /nfs/dbraw/zinc/15/65/53/194156553.db2.gz OPNMUCMNGIQRPP-LFIBNONCSA-N 0 1 455.536 4.143 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 ZINC000096247356 130002091 /nfs/dbraw/zinc/00/20/91/130002091.db2.gz YBBSMAIQUDEMKQ-CJLVFECKSA-N 0 1 488.565 4.293 50 10 JICAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000015012286 520879321 /nfs/dbraw/zinc/87/93/21/520879321.db2.gz XPFJAYRWCZKAOH-AQTBWJFISA-N 0 1 458.381 4.127 50 10 JICAMN CN1CCN([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734788 523918081 /nfs/dbraw/zinc/91/80/81/523918081.db2.gz DOTGWYGYZDUIOC-PMERELPUSA-N 0 1 482.672 4.383 50 10 JICAMN O=C(Oc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1)c1ccc(Cl)cc1 ZINC000009720766 526438765 /nfs/dbraw/zinc/43/87/65/526438765.db2.gz OMOQLAOEYSOUKN-STZFKDTASA-N 0 1 460.873 4.221 50 10 JICAMN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000000659536 553738562 /nfs/dbraw/zinc/73/85/62/553738562.db2.gz NHTQAHOZVBYSNE-ZHZULCJRSA-N 0 1 496.304 4.332 50 10 JICAMN Cc1cccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000002232118 554105861 /nfs/dbraw/zinc/10/58/61/554105861.db2.gz IDRVHUZREWBFOR-HAHDFKILSA-N 0 1 469.497 4.284 50 10 JICAMN CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000008843085 554740328 /nfs/dbraw/zinc/74/03/28/554740328.db2.gz YPAGYKMNJJSZKV-CQSZACIVSA-N 0 1 472.925 4.069 50 10 JICAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000009065177 554884898 /nfs/dbraw/zinc/88/48/98/554884898.db2.gz IZVRXSOJLUUANK-PDGQHHTCSA-N 0 1 463.471 4.414 50 10 JICAMN COc1c(Cl)cc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000009295813 555072156 /nfs/dbraw/zinc/07/21/56/555072156.db2.gz DFOJYHMMMMMVMF-RIYZIHGNSA-N 0 1 465.756 4.251 50 10 JICAMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000019877800 555524562 /nfs/dbraw/zinc/52/45/62/555524562.db2.gz FYWWPGZGEFCRJO-LFIBNONCSA-N 0 1 459.365 4.296 50 10 JICAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 ZINC000022310475 555919998 /nfs/dbraw/zinc/91/99/98/555919998.db2.gz ZIHDZJZWIHXNGV-WQRHYEAKSA-N 0 1 451.435 4.134 50 10 JICAMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000015745699 555984095 /nfs/dbraw/zinc/98/40/95/555984095.db2.gz HJKZPYIZQLCQOV-JCMHNJIXSA-N 0 1 480.549 4.111 50 10 JICAMN O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115257 569734278 /nfs/dbraw/zinc/73/42/78/569734278.db2.gz XVHRLCZLFGPTGZ-OAHLLOKOSA-N 0 1 467.433 4.154 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1 ZINC000096115257 569734279 /nfs/dbraw/zinc/73/42/79/569734279.db2.gz XVHRLCZLFGPTGZ-OAHLLOKOSA-N 0 1 467.433 4.154 50 10 biogenic JICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl ZINC000001209289 194070996 /nfs/dbraw/zinc/07/09/96/194070996.db2.gz FJIVVGRSIGEJJG-ZSOIEALJSA-N 0 1 465.756 4.333 50 10 JICAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000003947403 194366895 /nfs/dbraw/zinc/36/68/95/194366895.db2.gz VUTFZLVUMNCGOR-UHFFFAOYSA-N 0 1 485.521 4.200 50 10 JICAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1[O-] ZINC000004482556 194390740 /nfs/dbraw/zinc/39/07/40/194390740.db2.gz NGMQEYYXETZRSP-AEFFLSMTSA-N 0 1 489.597 4.274 50 10 JICAMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000009260376 194642314 /nfs/dbraw/zinc/64/23/14/194642314.db2.gz UPPFPDBQHRACPY-UNOMPAQXSA-N 0 1 477.498 4.312 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000033333128 520629742 /nfs/dbraw/zinc/62/97/42/520629742.db2.gz HXMVAOBETLEZFA-CPNJWEJPSA-N 0 1 462.527 4.444 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C ZINC000001185838 521946836 /nfs/dbraw/zinc/94/68/36/521946836.db2.gz XNBIGKJBZYIMOK-YBEGLDIGSA-N 0 1 475.364 4.076 50 10 JICAMN CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000000676886 553750423 /nfs/dbraw/zinc/75/04/23/553750423.db2.gz FRDWBYRDTKNHAO-CQUZACSDSA-N 0 1 456.583 4.048 50 10 biogenic JICAMN COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000008384785 554567821 /nfs/dbraw/zinc/56/78/21/554567821.db2.gz OAADZQXMONRPBQ-CJLVFECKSA-N 0 1 482.606 4.205 50 10 JICAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009138456 554933845 /nfs/dbraw/zinc/93/38/45/554933845.db2.gz SSEYIBJJOQDDOT-XMMPIXPASA-N 0 1 469.029 4.313 50 10 JICAMN CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000009311457 555088097 /nfs/dbraw/zinc/08/80/97/555088097.db2.gz NDIDJYXJNALHID-ZHZULCJRSA-N 0 1 451.935 4.361 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1c(C)cccc1C ZINC000009428485 555194167 /nfs/dbraw/zinc/19/41/67/555194167.db2.gz UDNWKBQMICEFBU-STZFKDTASA-N 0 1 490.512 4.025 50 10 JICAMN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000009680385 555408215 /nfs/dbraw/zinc/40/82/15/555408215.db2.gz KPGXCEPXEDQPRA-HAHDFKILSA-N 0 1 489.528 4.306 50 10 JICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 ZINC000013552623 555492757 /nfs/dbraw/zinc/49/27/57/555492757.db2.gz KXCUHYAVWNZYHS-UNOMPAQXSA-N 0 1 463.471 4.003 50 10 JICAMN COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000013809918 555624793 /nfs/dbraw/zinc/62/47/93/555624793.db2.gz WVJQPVCFDAFVQB-NDENLUEZSA-N 0 1 479.330 4.498 50 10 JICAMN O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000011859653 555839244 /nfs/dbraw/zinc/83/92/44/555839244.db2.gz RTDWXGYNXSCJAC-UAYXSDCWSA-N 0 1 454.960 4.430 50 10 JICAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000011859653 555839247 /nfs/dbraw/zinc/83/92/47/555839247.db2.gz RTDWXGYNXSCJAC-UAYXSDCWSA-N 0 1 454.960 4.430 50 10 JICAMN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OC ZINC000016914297 556178246 /nfs/dbraw/zinc/17/82/46/556178246.db2.gz WXAXMMFBKNOAIO-VWLOTQADSA-N 0 1 459.590 4.299 50 10 JICAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000018043742 556279473 /nfs/dbraw/zinc/27/94/73/556279473.db2.gz ABBJGWSFAACZDO-XJUOHMSHSA-N 0 1 464.905 4.414 50 10 JICAMN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000008714021 569596227 /nfs/dbraw/zinc/59/62/27/569596227.db2.gz BQXCPZDDFZEMNW-WQRHYEAKSA-N 0 1 457.533 4.229 50 10 JICAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc2c1OCCO2 ZINC000085875225 569715710 /nfs/dbraw/zinc/71/57/10/569715710.db2.gz IWJRTEBWLHTTRQ-UHFFFAOYSA-N 0 1 463.446 4.063 50 10 biogenic JICAMN COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)c(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)[nH]c2c1 ZINC000096114627 569733690 /nfs/dbraw/zinc/73/36/90/569733690.db2.gz BHIOGNOLCAUWOR-INIZCTEOSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c2c1 ZINC000096114627 569733691 /nfs/dbraw/zinc/73/36/91/569733691.db2.gz BHIOGNOLCAUWOR-INIZCTEOSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN O=C1C[C@@H](c2cccc3nccnc32)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115798 569734676 /nfs/dbraw/zinc/73/46/76/569734676.db2.gz VKLLOFFWHHBLGD-HNNXBMFYSA-N 0 1 452.422 4.255 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2cccc3nccnc32)CC(=O)O1 ZINC000096115798 569734677 /nfs/dbraw/zinc/73/46/77/569734677.db2.gz VKLLOFFWHHBLGD-HNNXBMFYSA-N 0 1 452.422 4.255 50 10 biogenic JICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096116100 569735009 /nfs/dbraw/zinc/73/50/09/569735009.db2.gz RTYGDKSOTNTLHR-CQSZACIVSA-N 0 1 484.416 4.124 50 10 biogenic JICAMN COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221342 569738905 /nfs/dbraw/zinc/73/89/05/569738905.db2.gz GUMQZJZTGPZDLK-MRXNPFEDSA-N 0 1 499.475 4.113 50 10 biogenic JICAMN Cc1nc2cc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)ccc2[nH]1 ZINC000102959872 569829952 /nfs/dbraw/zinc/82/99/52/569829952.db2.gz PNGMDRAMLIFCDG-YBEGLDIGSA-N 0 1 457.275 4.194 50 10 JICAMN CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000022635638 519690583 /nfs/dbraw/zinc/69/05/83/519690583.db2.gz ANUZWMFKYZYRRF-MRXNPFEDSA-N 0 1 456.793 4.490 50 10 JICAMN CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000033333056 520798133 /nfs/dbraw/zinc/79/81/33/520798133.db2.gz ZXOKIELTXREPQR-OVCLIPMQSA-N 0 1 492.912 4.101 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(OC)cc4)c(C(F)(F)F)oc32)CC1 ZINC000020394331 521686885 /nfs/dbraw/zinc/68/68/85/521686885.db2.gz NPXIFJCVJMVUEL-UHFFFAOYSA-N 0 1 478.467 4.456 50 10 JICAMN CN1CCN([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734840 523919433 /nfs/dbraw/zinc/91/94/33/523919433.db2.gz PBIOZJUIHDMLFL-GDLZYMKVSA-N 0 1 468.645 4.455 50 10 JICAMN CN1CCc2cc([C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCN(C)CC3)ccc21 ZINC000022733780 523997921 /nfs/dbraw/zinc/99/79/21/523997921.db2.gz QLOYWLFAMMKUML-MUUNZHRXSA-N 0 1 454.618 4.064 50 10 JICAMN COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000027528344 524677808 /nfs/dbraw/zinc/67/78/08/524677808.db2.gz CCAAUFMIRGHUDN-RGEXLXHISA-N 0 1 494.931 4.276 50 10 JICAMN Oc1c(I)cc(I)cc1CN1CCc2ccccc2C1 ZINC000016662818 526331141 /nfs/dbraw/zinc/33/11/41/526331141.db2.gz UAAXHBRCMFIALM-UHFFFAOYSA-N 0 1 491.110 4.160 50 10 JICAMN NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21 ZINC000033316930 526913993 /nfs/dbraw/zinc/91/39/93/526913993.db2.gz GXWHMXLEKUHNQM-FZSIALSZSA-N 0 1 473.341 4.105 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000000980467 553890782 /nfs/dbraw/zinc/89/07/82/553890782.db2.gz XXCFFPPWZWLEIH-UDWIEESQSA-N 0 1 496.386 4.394 50 10 JICAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O ZINC000001180315 553928445 /nfs/dbraw/zinc/92/84/45/553928445.db2.gz AZRGLCMEMHGHNG-QPEQYQDCSA-N 0 1 481.755 4.038 50 10 JICAMN Cc1nc(N)sc1-c1csc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1 ZINC000001895800 554001110 /nfs/dbraw/zinc/00/11/10/554001110.db2.gz ZRDJWNISISVUHP-UHFFFAOYSA-N 0 1 473.609 4.108 50 10 JICAMN COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C(C)C)c2O)cc1 ZINC000002503800 554230070 /nfs/dbraw/zinc/23/00/70/554230070.db2.gz YBPDPQPGARXUPN-UHFFFAOYSA-N 0 1 461.561 4.158 50 10 JICAMN COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 ZINC000002695028 554292108 /nfs/dbraw/zinc/29/21/08/554292108.db2.gz MVVPLIMUDGBURG-KGTJKXQDSA-N 0 1 492.500 4.247 50 10 JICAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 ZINC000002695028 554292109 /nfs/dbraw/zinc/29/21/09/554292109.db2.gz MVVPLIMUDGBURG-KGTJKXQDSA-N 0 1 492.500 4.247 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000009311795 555088329 /nfs/dbraw/zinc/08/83/29/555088329.db2.gz KQNVRYPVBKRLNG-WOJGMQOQSA-N 0 1 480.889 4.267 50 10 JICAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1OC ZINC000085875789 569715851 /nfs/dbraw/zinc/71/58/51/569715851.db2.gz ANMHGPLOGQWBGI-UHFFFAOYSA-N 0 1 465.462 4.309 50 10 biogenic JICAMN COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc2c1OCO2 ZINC000096114038 569733113 /nfs/dbraw/zinc/73/31/13/569733113.db2.gz CIFXJZXSCLYNOF-AWEZNQCLSA-N 0 1 474.421 4.050 50 10 biogenic JICAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)c(C(=O)OCC)c1C ZINC000101113085 569783317 /nfs/dbraw/zinc/78/33/17/569783317.db2.gz WQADKWRJKCJLTF-SFQUDFHCSA-N 0 1 455.536 4.437 50 10 JICAMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000001163460 194056255 /nfs/dbraw/zinc/05/62/55/194056255.db2.gz AVWGKFNQODJPGB-XKZIYDEJSA-N 0 1 498.539 4.250 50 10 JICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(I)o1 ZINC000001212191 194071436 /nfs/dbraw/zinc/07/14/36/194071436.db2.gz IBVPZHOIUAVYOA-SOFGYWHQSA-N 0 1 493.109 4.022 50 10 JICAMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000001163555 520919073 /nfs/dbraw/zinc/91/90/73/520919073.db2.gz WISORWRNAFBANY-VCHYOVAHSA-N 0 1 451.479 4.015 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000002601177 525078312 /nfs/dbraw/zinc/07/83/12/525078312.db2.gz YPWFPYXWAXPZTM-UHFFFAOYSA-N 0 1 481.979 4.305 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)NC1=S ZINC000006791254 526166295 /nfs/dbraw/zinc/16/62/95/526166295.db2.gz ZCDALFUIUIVSDG-VBKFSLOCSA-N 0 1 474.380 4.172 50 10 JICAMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000000661037 553739509 /nfs/dbraw/zinc/73/95/09/553739509.db2.gz RFOAKWNFEPVIMH-YBEGLDIGSA-N 0 1 475.364 4.076 50 10 JICAMN Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1ccccc1 ZINC000002503816 554230285 /nfs/dbraw/zinc/23/02/85/554230285.db2.gz LSKULDSSPRZQCT-UHFFFAOYSA-N 0 1 451.953 4.296 50 10 JICAMN COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)sc2c1CCCC2 ZINC000008496930 554600855 /nfs/dbraw/zinc/60/08/55/554600855.db2.gz DPUDRYQLBGTUEY-GXDHUFHOSA-N 0 1 490.006 4.119 50 10 JICAMN CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000008843086 554740316 /nfs/dbraw/zinc/74/03/16/554740316.db2.gz YPAGYKMNJJSZKV-AWEZNQCLSA-N 0 1 472.925 4.069 50 10 JICAMN COc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S ZINC000009111547 554899067 /nfs/dbraw/zinc/89/90/67/554899067.db2.gz ATZMJKPCWSNEFS-OQKWZONESA-N 0 1 483.593 4.479 50 10 JICAMN CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138157 554933389 /nfs/dbraw/zinc/93/33/89/554933389.db2.gz ITCHAFRHOWNIMI-XMMPIXPASA-N 0 1 466.651 4.073 50 10 JICAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCCC3)ccc21 ZINC000009138334 554933626 /nfs/dbraw/zinc/93/36/26/554933626.db2.gz VHNXTEZJGUYOCA-QHCPKHFHSA-N 0 1 488.554 4.370 50 10 JICAMN CCCCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O ZINC000009348799 555115258 /nfs/dbraw/zinc/11/52/58/555115258.db2.gz DBICKLZRRDBMRH-QNGOZBTKSA-N 0 1 489.528 4.374 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cccc(C)c1 ZINC000009354865 555119375 /nfs/dbraw/zinc/11/93/75/555119375.db2.gz UCXSGPAYORYJBD-HAVVHWLPSA-N 0 1 458.514 4.313 50 10 JICAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778841 555497917 /nfs/dbraw/zinc/49/79/17/555497917.db2.gz VKFCDYWGLGRVSW-DHIUTWEWSA-N 0 1 459.933 4.467 50 10 JICAMN O=S(=O)([N-]c1cccc(N2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)c1)c1ccc(F)cc1 ZINC000012151584 555924433 /nfs/dbraw/zinc/92/44/33/555924433.db2.gz MFVYRYDWVIDHBB-MHZLTWQESA-N 0 1 495.620 4.499 50 10 JICAMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000015799640 556007809 /nfs/dbraw/zinc/00/78/09/556007809.db2.gz ZNDICSKLQOIRBI-LFIBNONCSA-N 0 1 451.479 4.015 50 10 JICAMN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000015856214 556024193 /nfs/dbraw/zinc/02/41/93/556024193.db2.gz BQXCPZDDFZEMNW-WOJGMQOQSA-N 0 1 457.533 4.229 50 10 JICAMN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000016914226 556178227 /nfs/dbraw/zinc/17/82/27/556178227.db2.gz PPQRLEPRCABVMO-RUZDIDTESA-N 0 1 489.616 4.308 50 10 JICAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000017042600 556209138 /nfs/dbraw/zinc/20/91/38/556209138.db2.gz OBHUPPRMYBJYSQ-LPYMAVHISA-N 0 1 489.484 4.328 50 10 JICAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000017885941 556269667 /nfs/dbraw/zinc/26/96/67/556269667.db2.gz JAIXRIXGWKMHOY-VWPQPMDRSA-N 0 1 495.329 4.214 50 10 JICAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000034718203 569652206 /nfs/dbraw/zinc/65/22/06/569652206.db2.gz XZVAVCSNKUWTLW-HYARGMPZSA-N 0 1 490.512 4.229 50 10 JICAMN O=C1C[C@@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000090444884 569720763 /nfs/dbraw/zinc/72/07/63/569720763.db2.gz IBIPBNNCCNTNRT-HXIRNQQJSA-N 0 1 480.464 4.378 50 10 JICAMN O=C1CC(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000090444884 569720764 /nfs/dbraw/zinc/72/07/64/569720764.db2.gz IBIPBNNCCNTNRT-HXIRNQQJSA-N 0 1 480.464 4.378 50 10 JICAMN COc1cc(OC)c([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096114072 569733308 /nfs/dbraw/zinc/73/33/08/569733308.db2.gz MXVPSBOLPVXYDJ-OAHLLOKOSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000137536126 569865013 /nfs/dbraw/zinc/86/50/13/569865013.db2.gz NCMVZFVLJJQUDY-YTFSRNRJSA-N 0 1 492.919 4.365 50 10 JICAMN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000003865181 194365232 /nfs/dbraw/zinc/36/52/32/194365232.db2.gz TXLGTVIFUUVLOC-UNOMPAQXSA-N 0 1 471.560 4.483 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000012868155 195162393 /nfs/dbraw/zinc/16/23/93/195162393.db2.gz KMKWZEPDDHUNQT-DEDYPNTBSA-N 0 1 452.482 4.208 50 10 JICAMN CCCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022418629 520888814 /nfs/dbraw/zinc/88/88/14/520888814.db2.gz RNWLZZXXJQYMPO-VWLOTQADSA-N 0 1 453.631 4.042 50 10 JICAMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 ZINC000012349969 521533718 /nfs/dbraw/zinc/53/37/18/521533718.db2.gz LASHJLAEPGERTO-HMAPJEAMSA-N 0 1 491.544 4.241 50 10 JICAMN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000014882260 523952766 /nfs/dbraw/zinc/95/27/66/523952766.db2.gz NDOSNVVMILEAKJ-DEOSSOPVSA-N 0 1 467.013 4.375 50 10 JICAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000008964762 525511758 /nfs/dbraw/zinc/51/17/58/525511758.db2.gz DLFULURRXRHXMS-YIPGRGJBSA-N 0 1 482.511 4.397 50 10 biogenic JICAMN COc1cccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 ZINC000027531827 526234622 /nfs/dbraw/zinc/23/46/22/526234622.db2.gz ZLCREGOGIPHKBX-FYJGNVAPSA-N 0 1 494.931 4.276 50 10 JICAMN COc1ccc(C(O)=C2[C@@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000008964794 554838713 /nfs/dbraw/zinc/83/87/13/554838713.db2.gz VVEJCHSXQQKUSL-LSMVNSQTSA-N 0 1 494.547 4.266 50 10 biogenic JICAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCCCC3)ccc21 ZINC000009138331 554933561 /nfs/dbraw/zinc/93/35/61/554933561.db2.gz VHNXTEZJGUYOCA-HSZRJFAPSA-N 0 1 488.554 4.370 50 10 JICAMN COc1ccc(CN2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009183588 554956086 /nfs/dbraw/zinc/95/60/86/554956086.db2.gz OZJNXQZYFVRMAD-IWIPYMOSSA-N 0 1 465.509 4.360 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1C ZINC000009348426 555114721 /nfs/dbraw/zinc/11/47/21/555114721.db2.gz RFHBBXMXCRODPW-OQKWZONESA-N 0 1 458.514 4.313 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cccc(OC)c1 ZINC000009435041 555205892 /nfs/dbraw/zinc/20/58/92/555205892.db2.gz BWLOXUTTXZOPEX-XQNSMLJCSA-N 0 1 474.513 4.013 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000009805885 555518415 /nfs/dbraw/zinc/51/84/15/555518415.db2.gz GHAMRYJYPRHWPW-LDADJPATSA-N 0 1 482.359 4.085 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013616234 555536339 /nfs/dbraw/zinc/53/63/39/555536339.db2.gz HNHMUMYBHKWYFC-CIAFOILYSA-N 0 1 460.515 4.142 50 10 JICAMN CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4cc(OC)ccc4OC)ccc3n2)CC1 ZINC000020108659 555643743 /nfs/dbraw/zinc/64/37/43/555643743.db2.gz PHAQBDGKGRNDKW-IZZDOVSWSA-N 0 1 460.578 4.354 50 10 JICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCOCCOc1ccccc1 ZINC000027531764 556292029 /nfs/dbraw/zinc/29/20/29/556292029.db2.gz JPWOLFZOMNMLSM-PTGBLXJZSA-N 0 1 478.932 4.276 50 10 JICAMN COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CSc1ccccn1 ZINC000008673030 562949979 /nfs/dbraw/zinc/94/99/79/562949979.db2.gz ZZVABNJVZZBNPX-RGEXLXHISA-N 0 1 451.548 4.177 50 10 JICAMN COC(=O)c1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000096114498 569733640 /nfs/dbraw/zinc/73/36/40/569733640.db2.gz SGIUGFJOZFTKAT-MRXNPFEDSA-N 0 1 458.422 4.099 50 10 biogenic JICAMN COC(=O)c1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000096114498 569733642 /nfs/dbraw/zinc/73/36/42/569733642.db2.gz SGIUGFJOZFTKAT-MRXNPFEDSA-N 0 1 458.422 4.099 50 10 biogenic JICAMN COC(=O)c1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000096114497 569733712 /nfs/dbraw/zinc/73/37/12/569733712.db2.gz SGIUGFJOZFTKAT-INIZCTEOSA-N 0 1 458.422 4.099 50 10 biogenic JICAMN COC(=O)c1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000096114497 569733713 /nfs/dbraw/zinc/73/37/13/569733713.db2.gz SGIUGFJOZFTKAT-INIZCTEOSA-N 0 1 458.422 4.099 50 10 biogenic JICAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1OC ZINC000096115823 569734928 /nfs/dbraw/zinc/73/49/28/569734928.db2.gz AARBJSSMMDOSNC-HNNXBMFYSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102744723 569819690 /nfs/dbraw/zinc/81/96/90/569819690.db2.gz JAIXRIXGWKMHOY-TUNNFDKTSA-N 0 1 495.329 4.214 50 10 JICAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000001132332 194040121 /nfs/dbraw/zinc/04/01/21/194040121.db2.gz RHFNGWUGTFOBFI-MHWRWJLKSA-N 0 1 467.934 4.448 50 10 JICAMN COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000001134752 194041364 /nfs/dbraw/zinc/04/13/64/194041364.db2.gz VQUDAFUTKPPXFG-KPKJPENVSA-N 0 1 495.782 4.259 50 10 JICAMN COc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c(OC)c1 ZINC000001134720 194041369 /nfs/dbraw/zinc/04/13/69/194041369.db2.gz SZPGIFHLKISQAN-LDADJPATSA-N 0 1 478.486 4.074 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000001195262 194067093 /nfs/dbraw/zinc/06/70/93/194067093.db2.gz ULFJQLSSJVEDBS-KGENOOAVSA-N 0 1 458.539 4.414 50 10 JICAMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000002979637 194192755 /nfs/dbraw/zinc/19/27/55/194192755.db2.gz FBNASUDOUVUWRU-CPNJWEJPSA-N 0 1 466.360 4.380 50 10 JICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000000658429 553737650 /nfs/dbraw/zinc/73/76/50/553737650.db2.gz OKJJCEOHEGOGFO-MOSHPQCFSA-N 0 1 450.466 4.375 50 10 JICAMN Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000002235686 554107583 /nfs/dbraw/zinc/10/75/83/554107583.db2.gz RYPPKMADDZLSSM-HAHDFKILSA-N 0 1 460.486 4.016 50 10 JICAMN O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009015906 554866251 /nfs/dbraw/zinc/86/62/51/554866251.db2.gz XSXYIXHQEVURIG-NCELDCMTSA-N 0 1 465.553 4.344 50 10 JICAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 ZINC000009165292 554950828 /nfs/dbraw/zinc/95/08/28/554950828.db2.gz VLNNJAZWWFLCRY-HSZRJFAPSA-N 0 1 488.554 4.370 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1O ZINC000009323222 555096236 /nfs/dbraw/zinc/09/62/36/555096236.db2.gz AYVLKHMAAHJRFX-RIYZIHGNSA-N 0 1 475.364 4.002 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3oc(=O)c4ccccc4c3-c3ccccc3)CC2)cc1 ZINC000009505220 555289736 /nfs/dbraw/zinc/28/97/36/555289736.db2.gz FKDGLMADUHAJEE-UHFFFAOYSA-N 0 1 497.595 4.411 50 10 JICAMN COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013569655 555507939 /nfs/dbraw/zinc/50/79/39/555507939.db2.gz WZIYZGZNBWDHBF-HZHRSRAPSA-N 0 1 491.544 4.027 50 10 JICAMN CCOC(=O)C1C(CN(C)c2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214602 555710392 /nfs/dbraw/zinc/71/03/92/555710392.db2.gz SKFCXNFPLWTNPB-DEOSSOPVSA-N 0 1 467.566 4.180 50 10 JICAMN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(Br)cc(Br)c2O)NC(=S)N1 ZINC000027522702 556286736 /nfs/dbraw/zinc/28/67/36/556286736.db2.gz AEWIIJASSADBES-OAHLLOKOSA-N 0 1 497.212 4.349 50 10 JICAMN Cc1ccc(OCCOCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1C ZINC000027531732 556292074 /nfs/dbraw/zinc/29/20/74/556292074.db2.gz GZXVFUJUWBRAIP-LGUFXXKBSA-N 0 1 472.541 4.239 50 10 JICAMN COc1ccc(Br)cc1C[N@@H+](C)Cc1c([O-])c(C(=O)N2CCOCC2)cc2ccccc21 ZINC000013121529 556338226 /nfs/dbraw/zinc/33/82/26/556338226.db2.gz JWHTZBCTXKRNAZ-UHFFFAOYSA-N 0 1 499.405 4.421 50 10 JICAMN CN(C)c1ccc(CN2CCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034682037 569643738 /nfs/dbraw/zinc/64/37/38/569643738.db2.gz NWCRSIPYAMITBT-UHFFFAOYSA-N 0 1 466.536 4.392 50 10 JICAMN COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1O ZINC000096114650 569733705 /nfs/dbraw/zinc/73/37/05/569733705.db2.gz BAPUNIIVIDZWFI-AWEZNQCLSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096114739 569733857 /nfs/dbraw/zinc/73/38/57/569733857.db2.gz MDFFQKXZXYWCNP-INIZCTEOSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1 ZINC000096114739 569733858 /nfs/dbraw/zinc/73/38/58/569733858.db2.gz MDFFQKXZXYWCNP-INIZCTEOSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096114740 569733869 /nfs/dbraw/zinc/73/38/69/569733869.db2.gz MDFFQKXZXYWCNP-MRXNPFEDSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1 ZINC000096114740 569733870 /nfs/dbraw/zinc/73/38/70/569733870.db2.gz MDFFQKXZXYWCNP-MRXNPFEDSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221360 569738792 /nfs/dbraw/zinc/73/87/92/569738792.db2.gz AHAZCZVGUAVDNI-INIZCTEOSA-N 0 1 484.464 4.215 50 10 biogenic JICAMN COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221361 569738825 /nfs/dbraw/zinc/73/88/25/569738825.db2.gz AHAZCZVGUAVDNI-MRXNPFEDSA-N 0 1 484.464 4.215 50 10 biogenic JICAMN COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221581 569739047 /nfs/dbraw/zinc/73/90/47/569739047.db2.gz WCGZFEXRZPDXIT-INIZCTEOSA-N 0 1 464.474 4.049 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccccc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222377 569739499 /nfs/dbraw/zinc/73/94/99/569739499.db2.gz ZBBBEYSVHPWXAR-INIZCTEOSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000100401615 569759299 /nfs/dbraw/zinc/75/92/99/569759299.db2.gz GKQGLNREUZPCGA-QJOMJCCJSA-N 0 1 459.546 4.269 50 10 JICAMN O=C1C[C@@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000100972129 569778093 /nfs/dbraw/zinc/77/80/93/569778093.db2.gz LLPMSDBNUDPWPG-BDLODKHMSA-N 0 1 467.959 4.355 50 10 JICAMN O=C1CC(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000100972129 569778095 /nfs/dbraw/zinc/77/80/95/569778095.db2.gz LLPMSDBNUDPWPG-BDLODKHMSA-N 0 1 467.959 4.355 50 10 JICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000000979894 193996352 /nfs/dbraw/zinc/99/63/52/193996352.db2.gz KZFVGMIGZYIDJI-JAIQZWGSSA-N 0 1 478.505 4.281 50 10 JICAMN COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000001011735 194002889 /nfs/dbraw/zinc/00/28/89/194002889.db2.gz RGBVQKABZIGQRT-BKUYFWCQSA-N 0 1 492.915 4.176 50 10 JICAMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(=O)c1-c1ccccc1 ZINC000020763690 195219488 /nfs/dbraw/zinc/21/94/88/195219488.db2.gz XODZJXAEIMMSOE-QUCCMNQESA-N 0 1 454.526 4.255 50 10 biogenic JICAMN CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000014746282 519653231 /nfs/dbraw/zinc/65/32/31/519653231.db2.gz RJIPVIUJPAUBMT-UHFFFAOYSA-N 0 1 471.001 4.286 50 10 JICAMN CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C\C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000006073941 519757489 /nfs/dbraw/zinc/75/74/89/519757489.db2.gz FRDWBYRDTKNHAO-YPCUSZHPSA-N 0 1 456.583 4.048 50 10 JICAMN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)c(C)c1 ZINC000001148118 521925523 /nfs/dbraw/zinc/92/55/23/521925523.db2.gz XUESJTCSIIZZDO-UNOMPAQXSA-N 0 1 464.474 4.012 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000001202112 521945178 /nfs/dbraw/zinc/94/51/78/521945178.db2.gz HPLKJPVVJPALRN-NDENLUEZSA-N 0 1 480.492 4.384 50 10 JICAMN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc3C2)cc1 ZINC000022419182 522242407 /nfs/dbraw/zinc/24/24/07/522242407.db2.gz DFVGAKRLKODCHQ-XMMPIXPASA-N 0 1 458.562 4.402 50 10 JICAMN COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c(C)cc2O)cc1 ZINC000002601181 525092611 /nfs/dbraw/zinc/09/26/11/525092611.db2.gz TXZUMXQCZNECOZ-UHFFFAOYSA-N 0 1 481.979 4.305 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000008396382 554571227 /nfs/dbraw/zinc/57/12/27/554571227.db2.gz JOKBIWIGEXUDJN-WOJGMQOQSA-N 0 1 450.951 4.282 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S ZINC000008454197 554599594 /nfs/dbraw/zinc/59/95/94/554599594.db2.gz BAYPANHOPVNOFK-AQTBWJFISA-N 0 1 470.392 4.189 50 10 JICAMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc4ccccc4c3)C(=O)NC2=S)cc1 ZINC000009265375 555041303 /nfs/dbraw/zinc/04/13/03/555041303.db2.gz UFYRWPJDJWZWTQ-KQWNVCNZSA-N 0 1 453.523 4.470 50 10 JICAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000009435924 555207571 /nfs/dbraw/zinc/20/75/71/555207571.db2.gz GAJVVRCLKZZTGJ-UYRXBGFRSA-N 0 1 463.471 4.085 50 10 JICAMN CCOc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000019877658 555524463 /nfs/dbraw/zinc/52/44/63/555524463.db2.gz IPCSBTOQHPFXDL-SXGWCWSVSA-N 0 1 489.391 4.305 50 10 JICAMN CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCc3ccccc3C2)cc1 ZINC000016914250 556178369 /nfs/dbraw/zinc/17/83/69/556178369.db2.gz NECQDSCACFRYEW-SANMLTNESA-N 0 1 467.569 4.388 50 10 JICAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000017028633 556207716 /nfs/dbraw/zinc/20/77/16/556207716.db2.gz FXVBUVDOBANNOY-BUVRLJJBSA-N 0 1 499.523 4.099 50 10 JICAMN CN1C[C@@H](c2cccs2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12c1ccccc1N(C)C2=O ZINC000034828949 569662971 /nfs/dbraw/zinc/66/29/71/569662971.db2.gz DUBALWYGBWSREQ-DPSWKAHMSA-N 0 1 495.651 4.041 50 10 JICAMN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)cc2c1 ZINC000096115780 569734728 /nfs/dbraw/zinc/73/47/28/569734728.db2.gz FHSQUOSTTLAWDT-INIZCTEOSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c(O)c(=O)c5c(O)cc(-c6ccccc6)oc-5c43)cc2c1 ZINC000096115780 569734729 /nfs/dbraw/zinc/73/47/29/569734729.db2.gz FHSQUOSTTLAWDT-INIZCTEOSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000143588434 569867622 /nfs/dbraw/zinc/86/76/22/569867622.db2.gz ABBJGWSFAACZDO-QZNHQXDQSA-N 0 1 464.905 4.414 50 10 JICAMN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2=O)cc1 ZINC000020763263 195219191 /nfs/dbraw/zinc/21/91/91/195219191.db2.gz NRCKMRJQPMCRBH-QUCCMNQESA-N 0 1 484.552 4.264 50 10 biogenic JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc32)CC1 ZINC000020393142 521686489 /nfs/dbraw/zinc/68/64/89/521686489.db2.gz LAPKHDJOWSOPDR-UHFFFAOYSA-N 0 1 478.467 4.456 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)coc32)CC1 ZINC000020391338 521687351 /nfs/dbraw/zinc/68/73/51/521687351.db2.gz YHPSOYOXUFCSSW-UHFFFAOYSA-N 0 1 459.340 4.191 50 10 JICAMN COc1ccc(CCN2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1OC ZINC000002403603 523943366 /nfs/dbraw/zinc/94/33/66/523943366.db2.gz ZPYXPXCEHYHXGE-KQWNVCNZSA-N 0 1 487.556 4.329 50 10 JICAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1F ZINC000001176842 527057343 /nfs/dbraw/zinc/05/73/43/527057343.db2.gz ZHWWIZZJZGAGFI-LGMDPLHJSA-N 0 1 450.466 4.375 50 10 JICAMN O=C(Nc1ccc2nccnc2c1)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccccc1O ZINC000014975123 527301877 /nfs/dbraw/zinc/30/18/77/527301877.db2.gz UXCWPMIZWKKXCA-KNQAVFIVSA-N 0 1 457.559 4.104 50 10 JICAMN Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000006456219 554541251 /nfs/dbraw/zinc/54/12/51/554541251.db2.gz FBNASUDOUVUWRU-UYRXBGFRSA-N 0 1 466.360 4.380 50 10 JICAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1Cl ZINC000009165243 554950836 /nfs/dbraw/zinc/95/08/36/554950836.db2.gz AMXFVRVUBXTZDG-DEOSSOPVSA-N 0 1 469.029 4.313 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 ZINC000009660210 555363880 /nfs/dbraw/zinc/36/38/80/555363880.db2.gz OCGGWORBVHTKPW-LYBHJNIJSA-N 0 1 488.540 4.021 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cccc(C)c1 ZINC000013661289 555556534 /nfs/dbraw/zinc/55/65/34/555556534.db2.gz JHFDTSICOLKNQC-JCMHNJIXSA-N 0 1 490.512 4.107 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000012342310 555954935 /nfs/dbraw/zinc/95/49/35/555954935.db2.gz HPLKJPVVJPALRN-UDWIEESQSA-N 0 1 480.492 4.384 50 10 JICAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000012363860 555958863 /nfs/dbraw/zinc/95/88/63/555958863.db2.gz FXWBWWZNMNDZAV-LDADJPATSA-N 0 1 467.344 4.442 50 10 JICAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)n2)cc1 ZINC000012589755 556085904 /nfs/dbraw/zinc/08/59/04/556085904.db2.gz ALSJNDUPXMLEGV-JOCHJYFZSA-N 0 1 465.623 4.146 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1 ZINC000024757448 556150624 /nfs/dbraw/zinc/15/06/24/556150624.db2.gz GXFXKYWYJLPUMO-UHFFFAOYSA-N 0 1 485.588 4.083 50 10 JICAMN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(OC)c1 ZINC000016914419 556178603 /nfs/dbraw/zinc/17/86/03/556178603.db2.gz MVTYODTZSOZUFP-SANMLTNESA-N 0 1 459.590 4.299 50 10 JICAMN Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1ccc(I)cc1 ZINC000025336437 556209375 /nfs/dbraw/zinc/20/93/75/556209375.db2.gz AACCLWNDEMJBPD-LJQANCHMSA-N 0 1 482.329 4.145 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCCOc1ccc(Cl)cc1 ZINC000017195892 556237994 /nfs/dbraw/zinc/23/79/94/556237994.db2.gz SEJNPJASPYAPJB-ZHZULCJRSA-N 0 1 453.882 4.070 50 10 JICAMN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OC ZINC000096114313 569733470 /nfs/dbraw/zinc/73/34/70/569733470.db2.gz BEBKDZODXNFLFY-CQSZACIVSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)sc2c1CCCC2 ZINC000103748727 569837691 /nfs/dbraw/zinc/83/76/91/569837691.db2.gz DPUDRYQLBGTUEY-UVTDQMKNSA-N 0 1 490.006 4.119 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC000009919405 195023394 /nfs/dbraw/zinc/02/33/94/195023394.db2.gz DXBATNRCJZWKRI-UHFFFAOYSA-N 0 1 457.665 4.116 50 10 JICAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000096265822 130003788 /nfs/dbraw/zinc/00/37/88/130003788.db2.gz BZXKQUXSLDKDFX-LDADJPATSA-N 0 1 451.276 4.371 50 10 JICAMN CCCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000022418627 520888717 /nfs/dbraw/zinc/88/87/17/520888717.db2.gz RNWLZZXXJQYMPO-RUZDIDTESA-N 0 1 453.631 4.042 50 10 JICAMN COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000013775203 523408585 /nfs/dbraw/zinc/40/85/85/523408585.db2.gz WZIYZGZNBWDHBF-HAHDFKILSA-N 0 1 491.544 4.027 50 10 JICAMN COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CSc1ccccn1 ZINC000008974464 523416431 /nfs/dbraw/zinc/41/64/31/523416431.db2.gz ZZVABNJVZZBNPX-XMHGGMMESA-N 0 1 451.548 4.177 50 10 JICAMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000000843477 553794314 /nfs/dbraw/zinc/79/43/14/553794314.db2.gz IUKGFUMTTYTEKJ-HAHDFKILSA-N 0 1 487.581 4.411 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000002503799 554230023 /nfs/dbraw/zinc/23/00/23/554230023.db2.gz RZPAJFKSRQKNPR-UHFFFAOYSA-N 0 1 461.561 4.158 50 10 JICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000009323939 555096979 /nfs/dbraw/zinc/09/69/79/555096979.db2.gz KQLDTTUIDNGALF-WJDWOHSUSA-N 0 1 475.364 4.078 50 10 JICAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778834 555497848 /nfs/dbraw/zinc/49/78/48/555497848.db2.gz VKFCDYWGLGRVSW-PKTZIBPZSA-N 0 1 459.933 4.467 50 10 JICAMN Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c(C)c1 ZINC000013661386 555556577 /nfs/dbraw/zinc/55/65/77/555556577.db2.gz DDRZBPSIXBKLAJ-KQWNVCNZSA-N 0 1 474.513 4.406 50 10 JICAMN COc1ccc(OCCOc2ccc(C)c(C)c2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000013897107 555644196 /nfs/dbraw/zinc/64/41/96/555644196.db2.gz JXUUKQHKZFQOHY-JJIBRWJFSA-N 0 1 458.514 4.231 50 10 JICAMN COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000015723329 555958429 /nfs/dbraw/zinc/95/84/29/555958429.db2.gz ZTVCNWIXNRLIGJ-MLPAPPSSSA-N 0 1 492.307 4.046 50 10 JICAMN Cc1c(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000015800066 556008431 /nfs/dbraw/zinc/00/84/31/556008431.db2.gz OQFVVZVUMJCPFR-XKZIYDEJSA-N 0 1 457.461 4.392 50 10 JICAMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000017299951 556253366 /nfs/dbraw/zinc/25/33/66/556253366.db2.gz AQPQFCAHNOCDOQ-OQLLNIDSSA-N 0 1 489.391 4.305 50 10 JICAMN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000065329806 569674948 /nfs/dbraw/zinc/67/49/48/569674948.db2.gz ULRKNZRFGIAQMF-UHFFFAOYSA-N 0 1 490.472 4.157 50 10 JICAMN COC(=O)C[C@H](c1ccc(-n2cccn2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221458 569738877 /nfs/dbraw/zinc/73/88/77/569738877.db2.gz DTYKDTXZLXJECB-LJQANCHMSA-N 0 1 498.491 4.458 50 10 biogenic JICAMN COC(=O)C[C@@H](c1cccc(OC)c1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222360 569739414 /nfs/dbraw/zinc/73/94/14/569739414.db2.gz KBKADLOOGWIJBI-INIZCTEOSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 ZINC000009311353 194684961 /nfs/dbraw/zinc/68/49/61/194684961.db2.gz JSYZXVVNVOMYKU-AQTBWJFISA-N 0 1 463.471 4.085 50 10 JICAMN Cc1c2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2oc(=O)c1-c1ccccc1 ZINC000020761733 195218315 /nfs/dbraw/zinc/21/83/15/195218315.db2.gz DWWWCPBCEMNQEB-QUCCMNQESA-N 0 1 454.526 4.255 50 10 biogenic JICAMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001197388 520590159 /nfs/dbraw/zinc/59/01/59/520590159.db2.gz PQHZWVQVQQGTCC-RIYZIHGNSA-N 0 1 495.782 4.341 50 10 JICAMN COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001203571 521945670 /nfs/dbraw/zinc/94/56/70/521945670.db2.gz HTWKYIHNCAYVPW-AWNIVKPZSA-N 0 1 492.307 4.046 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)CC2)cc1 ZINC000008611531 524424994 /nfs/dbraw/zinc/42/49/94/524424994.db2.gz YYZHTAGPPODXMU-UHFFFAOYSA-N 0 1 484.600 4.369 50 10 JICAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000000693967 553759607 /nfs/dbraw/zinc/75/96/07/553759607.db2.gz KCDMMEJWVNWSJU-AQTBWJFISA-N 0 1 452.333 4.071 50 10 JICAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000000693796 553759649 /nfs/dbraw/zinc/75/96/49/553759649.db2.gz QPIYHPLJAJBGIG-QGOAFFKASA-N 0 1 452.333 4.071 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1ccc(Cl)cc1Cl ZINC000009076192 554887644 /nfs/dbraw/zinc/88/76/44/554887644.db2.gz BRKAYXRUDKSWPB-ATVHPVEESA-N 0 1 474.300 4.129 50 10 JICAMN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138161 554933364 /nfs/dbraw/zinc/93/33/64/554933364.db2.gz ITCHAFRHOWNIMI-DEOSSOPVSA-N 0 1 466.651 4.073 50 10 JICAMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 ZINC000009262688 555037530 /nfs/dbraw/zinc/03/75/30/555037530.db2.gz CPESSIUMSXSSAL-CPNJWEJPSA-N 0 1 460.511 4.181 50 10 JICAMN COc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778741 555497680 /nfs/dbraw/zinc/49/76/80/555497680.db2.gz ODYVVASDQBSYRN-XZOQPEGZSA-N 0 1 475.932 4.167 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1ccc(Br)cc1 ZINC000013941810 555652627 /nfs/dbraw/zinc/65/26/27/555652627.db2.gz YIRYGXFVXCRCRU-CPNJWEJPSA-N 0 1 484.306 4.425 50 10 JICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000022185086 555882532 /nfs/dbraw/zinc/88/25/32/555882532.db2.gz KSILZXSCXSWNLT-NTEUORMPSA-N 0 1 465.756 4.333 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000008453159 569591336 /nfs/dbraw/zinc/59/13/36/569591336.db2.gz APZFQOFLTWJPLF-HAVVHWLPSA-N 0 1 458.514 4.313 50 10 JICAMN COC(=O)C[C@H](c1ccccc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222375 569739423 /nfs/dbraw/zinc/73/94/23/569739423.db2.gz ZBBBEYSVHPWXAR-MRXNPFEDSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN COC(=O)C[C@H](c1cccc(OC)c1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222358 569739543 /nfs/dbraw/zinc/73/95/43/569739543.db2.gz KBKADLOOGWIJBI-MRXNPFEDSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000101050336 569780557 /nfs/dbraw/zinc/78/05/57/569780557.db2.gz ABBJGWSFAACZDO-XPNTWCBSSA-N 0 1 464.905 4.414 50 10 JICAMN Cc1c(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000012631176 195063469 /nfs/dbraw/zinc/06/34/69/195063469.db2.gz IPYTUGIPQDXPOE-BKUYFWCQSA-N 0 1 457.461 4.392 50 10 JICAMN COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000033314302 522635468 /nfs/dbraw/zinc/63/54/68/522635468.db2.gz FPWRGHLHRJGXIE-WQRHYEAKSA-N 0 1 471.966 4.165 50 10 JICAMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000000665079 553741720 /nfs/dbraw/zinc/74/17/20/553741720.db2.gz FXWBWWZNMNDZAV-PDGQHHTCSA-N 0 1 467.344 4.442 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S ZINC000000970877 553887213 /nfs/dbraw/zinc/88/72/13/553887213.db2.gz DTZOLYXQXLHEBW-KPKJPENVSA-N 0 1 496.180 4.057 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000002601180 554240157 /nfs/dbraw/zinc/24/01/57/554240157.db2.gz DIDMDNMAQKXASF-UHFFFAOYSA-N 0 1 481.979 4.305 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1OC ZINC000009007583 554860688 /nfs/dbraw/zinc/86/06/88/554860688.db2.gz AJOLXLUKGMSTDW-HEHNFIMWSA-N 0 1 474.513 4.013 50 10 JICAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)cc1 ZINC000009405098 555163754 /nfs/dbraw/zinc/16/37/54/555163754.db2.gz RSBQIXWKEWQSBO-UHFFFAOYSA-N 0 1 450.558 4.080 50 10 JICAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 ZINC000009462803 555231969 /nfs/dbraw/zinc/23/19/69/555231969.db2.gz WEJFVFNDRUODML-UDWIEESQSA-N 0 1 474.498 4.230 50 10 JICAMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000013571212 555509685 /nfs/dbraw/zinc/50/96/85/555509685.db2.gz HJKZPYIZQLCQOV-PXLXIMEGSA-N 0 1 480.549 4.111 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC ZINC000022034072 555864858 /nfs/dbraw/zinc/86/48/58/555864858.db2.gz PIQOYCQEVGDNJV-VGOFMYFVSA-N 0 1 495.782 4.341 50 10 JICAMN COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3cnn(-c4ccccc4)n3)CC2)c1 ZINC000012047820 555895400 /nfs/dbraw/zinc/89/54/00/555895400.db2.gz OTYRXXZQKMZGNG-UHFFFAOYSA-N 0 1 482.588 4.287 50 10 JICAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ncc(Br)cc1Br ZINC000017130569 556220905 /nfs/dbraw/zinc/22/09/05/556220905.db2.gz CKRJMSROAZTNRA-JYRVWZFOSA-N 0 1 454.097 4.464 50 10 JICAMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1[O-] ZINC000032932628 556547936 /nfs/dbraw/zinc/54/79/36/556547936.db2.gz KKLCXADSUGFMAI-UHFFFAOYSA-N 0 1 471.479 4.455 50 10 JICAMN COc1ccc(-c2coc3c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c([O-])cc(C)c3c2=O)cc1 ZINC000085387556 569709794 /nfs/dbraw/zinc/70/97/94/569709794.db2.gz YCCXSMJKAKHBLC-AZUAARDMSA-N 0 1 484.552 4.264 50 10 JICAMN COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1O ZINC000096114651 569733728 /nfs/dbraw/zinc/73/37/28/569733728.db2.gz BAPUNIIVIDZWFI-CQSZACIVSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1 ZINC000096115862 569734907 /nfs/dbraw/zinc/73/49/07/569734907.db2.gz YTVHKTSCFDRXRH-OAHLLOKOSA-N 0 1 476.437 4.035 50 10 biogenic JICAMN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1=O ZINC000096116218 569735104 /nfs/dbraw/zinc/73/51/04/569735104.db2.gz YQVGXBNEJFUMAU-INIZCTEOSA-N 0 1 481.460 4.164 50 10 biogenic JICAMN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1=O ZINC000096116218 569735106 /nfs/dbraw/zinc/73/51/06/569735106.db2.gz YQVGXBNEJFUMAU-INIZCTEOSA-N 0 1 481.460 4.164 50 10 biogenic JICAMN COC(=O)C[C@H](c1ccc(OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222310 569739454 /nfs/dbraw/zinc/73/94/54/569739454.db2.gz WXPMVFXSWJSQHN-QGZVFWFLSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222380 569739472 /nfs/dbraw/zinc/73/94/72/569739472.db2.gz JINQRPWQOXVSIR-KRWDZBQOSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2=O)cc1 ZINC000217538845 569880255 /nfs/dbraw/zinc/88/02/55/569880255.db2.gz NRCKMRJQPMCRBH-AZUAARDMSA-N 0 1 484.552 4.264 50 10 JICAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000001162132 194055703 /nfs/dbraw/zinc/05/57/03/194055703.db2.gz MYWJYDGKTJJQCM-UHFFFAOYSA-N 0 1 494.345 4.185 50 10 JICAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1OC(C)C ZINC000009260402 194642404 /nfs/dbraw/zinc/64/24/04/194642404.db2.gz VGOOBTRGZXHIOR-MHWRWJLKSA-N 0 1 475.364 4.076 50 10 JICAMN CN1CCN(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000020902543 195242075 /nfs/dbraw/zinc/24/20/75/195242075.db2.gz PRWBWRVXVIBQPH-UHFFFAOYSA-N 0 1 456.634 4.390 50 10 JICAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000001202098 521946084 /nfs/dbraw/zinc/94/60/84/521946084.db2.gz WINUBEWVBCZFDX-UYRXBGFRSA-N 0 1 462.502 4.245 50 10 JICAMN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc3C2)cc1 ZINC000022419185 522248508 /nfs/dbraw/zinc/24/85/08/522248508.db2.gz DFVGAKRLKODCHQ-DEOSSOPVSA-N 0 1 458.562 4.402 50 10 JICAMN COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)cc1OC ZINC000012409242 522832297 /nfs/dbraw/zinc/83/22/97/522832297.db2.gz QLHDCDOAVWXHKS-KRWDZBQOSA-N 0 1 464.518 4.150 50 10 JICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000001172749 527057603 /nfs/dbraw/zinc/05/76/03/527057603.db2.gz ZGAKGMKUEQZBJW-RMKNXTFCSA-N 0 1 472.147 4.293 50 10 JICAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000665112 553741696 /nfs/dbraw/zinc/74/16/96/553741696.db2.gz XPFJAYRWCZKAOH-QGOAFFKASA-N 0 1 458.381 4.127 50 10 JICAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c2ccccc2n1C ZINC000006430139 554535910 /nfs/dbraw/zinc/53/59/10/554535910.db2.gz WDVPKCGIHINDOL-BOPFTXTBSA-N 0 1 468.376 4.389 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 ZINC000009144638 554936356 /nfs/dbraw/zinc/93/63/56/554936356.db2.gz ONLLWLZUNZAOQR-PTGBLXJZSA-N 0 1 458.514 4.395 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000009295821 555072056 /nfs/dbraw/zinc/07/20/56/555072056.db2.gz QPOXUVDTMUHFSP-DEDYPNTBSA-N 0 1 462.502 4.245 50 10 JICAMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000009311804 555088292 /nfs/dbraw/zinc/08/82/92/555088292.db2.gz FRWAKJRUWHBCMQ-AQTBWJFISA-N 0 1 466.360 4.380 50 10 JICAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)NC2=S)cc1 ZINC000009493458 555275497 /nfs/dbraw/zinc/27/54/97/555275497.db2.gz UFYRWPJDJWZWTQ-XQNSMLJCSA-N 0 1 453.523 4.470 50 10 JICAMN COc1ccc(N2CCN(C[C@@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013146008 555344157 /nfs/dbraw/zinc/34/41/57/555344157.db2.gz WVIRSODSHUDUOW-RUZDIDTESA-N 0 1 468.544 4.263 50 10 JICAMN CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000009763310 555488677 /nfs/dbraw/zinc/48/86/77/555488677.db2.gz SYPZDBBOCLYZAV-GZTJUZNOSA-N 0 1 454.479 4.004 50 10 JICAMN COc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778735 555497666 /nfs/dbraw/zinc/49/76/66/555497666.db2.gz ODYVVASDQBSYRN-PKTZIBPZSA-N 0 1 475.932 4.167 50 10 JICAMN O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4cc(Cl)ccc4[O-])CC3)ccc2o1 ZINC000015007088 555851524 /nfs/dbraw/zinc/85/15/24/555851524.db2.gz DOJBLMLPAGTTFR-NRFANRHFSA-N 0 1 484.980 4.184 50 10 JICAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(C)c2O)N3)C1 ZINC000015947299 556085135 /nfs/dbraw/zinc/08/51/35/556085135.db2.gz KNVKZDZORHIUPX-MRXNPFEDSA-N 0 1 469.348 4.174 50 10 JICAMN COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000015947394 556085242 /nfs/dbraw/zinc/08/52/42/556085242.db2.gz NFUYXHQXIAYJHW-KRWDZBQOSA-N 0 1 452.374 4.420 50 10 JICAMN O=C(NCc1ccccc1)c1cc2ccccc2c(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000013110245 556311637 /nfs/dbraw/zinc/31/16/37/556311637.db2.gz TWPMOVFTPZBASY-UHFFFAOYSA-N 0 1 485.609 4.495 50 10 JICAMN COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000035560569 569704143 /nfs/dbraw/zinc/70/41/43/569704143.db2.gz FYNRVUZZWWMVPS-RUZDIDTESA-N 0 1 459.590 4.056 50 10 JICAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1OC ZINC000085875835 569715961 /nfs/dbraw/zinc/71/59/61/569715961.db2.gz CIJAIKYAZGSGMR-UHFFFAOYSA-N 0 1 465.462 4.309 50 10 biogenic JICAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC ZINC000096114134 569733265 /nfs/dbraw/zinc/73/32/65/569733265.db2.gz IXKURLIOXAABTK-HNNXBMFYSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC ZINC000096114134 569733266 /nfs/dbraw/zinc/73/32/66/569733266.db2.gz IXKURLIOXAABTK-HNNXBMFYSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN CC(=O)Nc1ccc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000101113823 569783308 /nfs/dbraw/zinc/78/33/08/569783308.db2.gz SDKQVFBSCFHRGD-MHWRWJLKSA-N 0 1 458.272 4.034 50 10 JICAMN O=C(c1coc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12)c1ccc(F)cc1 ZINC000253414113 570098480 /nfs/dbraw/zinc/09/84/80/570098480.db2.gz WNFHFICIGHUZFJ-AEFFLSMTSA-N 0 1 458.489 4.290 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNCCc1ccc(Cl)cc1 ZINC000102908553 130384569 /nfs/dbraw/zinc/38/45/69/130384569.db2.gz MSWUTRDQNWTQTB-UVTDQMKNSA-N 0 1 454.766 4.111 50 10 JICAMN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000014882261 523953119 /nfs/dbraw/zinc/95/31/19/523953119.db2.gz NDOSNVVMILEAKJ-XMMPIXPASA-N 0 1 467.013 4.375 50 10 JICAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCN(C)CC3)ccc21 ZINC000022733777 523999343 /nfs/dbraw/zinc/99/93/43/523999343.db2.gz QLOYWLFAMMKUML-NDEPHWFRSA-N 0 1 454.618 4.064 50 10 JICAMN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)CC2)cc1 ZINC000016217051 524419403 /nfs/dbraw/zinc/41/94/03/524419403.db2.gz XSGCFVDEFRHLKG-UHFFFAOYSA-N 0 1 485.993 4.112 50 10 JICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000016268436 526089587 /nfs/dbraw/zinc/08/95/87/526089587.db2.gz XXCFFPPWZWLEIH-NDENLUEZSA-N 0 1 496.386 4.394 50 10 JICAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000015012531 527057090 /nfs/dbraw/zinc/05/70/90/527057090.db2.gz BOGIPQNHQNZWSZ-AQTBWJFISA-N 0 1 452.333 4.071 50 10 JICAMN Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009355114 555119716 /nfs/dbraw/zinc/11/97/16/555119716.db2.gz IQQZAEYFBYWUFF-HAHDFKILSA-N 0 1 494.576 4.420 50 10 JICAMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000009763309 555488671 /nfs/dbraw/zinc/48/86/71/555488671.db2.gz FNJDSHSMXARDJI-LPYMAVHISA-N 0 1 482.496 4.053 50 10 JICAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009778232 555496775 /nfs/dbraw/zinc/49/67/75/555496775.db2.gz TWTGJYUQHDJXPP-XZOQPEGZSA-N 0 1 459.933 4.467 50 10 JICAMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2c([O-])c(C(=O)N3CCOCC3)cc3ccccc32)c1 ZINC000014237239 555739599 /nfs/dbraw/zinc/73/95/99/555739599.db2.gz PEIVOMNHRGPHAD-RUZDIDTESA-N 0 1 476.573 4.372 50 10 JICAMN Cc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000015745800 555984015 /nfs/dbraw/zinc/98/40/15/555984015.db2.gz XIFQFLZCEOOSAS-JCMHNJIXSA-N 0 1 494.576 4.420 50 10 JICAMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000018205410 556309634 /nfs/dbraw/zinc/30/96/34/556309634.db2.gz BWRQEDOLPPUKBO-ODLFYWEKSA-N 0 1 462.531 4.178 50 10 JICAMN CC(C)(C)c1cc(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c(O)c(C(C)(C)C)c1 ZINC000032770231 556489728 /nfs/dbraw/zinc/48/97/28/556489728.db2.gz ICYONHHBSWBHMJ-UHFFFAOYSA-N 0 1 462.638 4.313 50 10 JICAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc(O)c1O ZINC000085875376 569715678 /nfs/dbraw/zinc/71/56/78/569715678.db2.gz IVGXUSYBLYJASY-UHFFFAOYSA-N 0 1 463.446 4.237 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2cc3cccc4c3n(c2=O)CC4)CC(=O)O1 ZINC000096114280 569733301 /nfs/dbraw/zinc/73/33/01/569733301.db2.gz BKAGTRAUACINDV-KRWDZBQOSA-N 0 1 493.471 4.183 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222312 569739409 /nfs/dbraw/zinc/73/94/09/569739409.db2.gz WXPMVFXSWJSQHN-KRWDZBQOSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)c(C(=O)OCC)c1C ZINC000100498851 569762625 /nfs/dbraw/zinc/76/26/25/569762625.db2.gz WQADKWRJKCJLTF-ATVHPVEESA-N 0 1 455.536 4.437 50 10 JICAMN CN1CCN([C@@H](CNC(=O)Nc2ccccc2C(F)(F)F)c2ccc3c(c2)CCCN3C)CC1 ZINC000038673244 569806130 /nfs/dbraw/zinc/80/61/30/569806130.db2.gz JDOMOADEZCGMTD-QHCPKHFHSA-N 0 1 475.559 4.198 50 10 JICAMN CN1C[C@@H](c2cccs2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12c1ccccc1N(C)C2=O ZINC000245325276 570064230 /nfs/dbraw/zinc/06/42/30/570064230.db2.gz DUBALWYGBWSREQ-YRUKQIKQSA-N 0 1 495.651 4.041 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(O)c(C)c2C)cc1 ZINC000001071922 194016260 /nfs/dbraw/zinc/01/62/60/194016260.db2.gz OGTMFJAOODDSCQ-UHFFFAOYSA-N 0 1 481.979 4.305 50 10 JICAMN COc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009778739 194956953 /nfs/dbraw/zinc/95/69/53/194956953.db2.gz ODYVVASDQBSYRN-DHIUTWEWSA-N 0 1 475.932 4.167 50 10 JICAMN COc1ccc([N+](=O)[O-])c(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1 ZINC000009933809 195025691 /nfs/dbraw/zinc/02/56/91/195025691.db2.gz VPACPFYVNPIJPH-ZSOIEALJSA-N 0 1 462.281 4.038 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O ZINC000016676174 520629700 /nfs/dbraw/zinc/62/97/00/520629700.db2.gz BAHWDLGBNVSDJN-AWNIVKPZSA-N 0 1 481.755 4.038 50 10 JICAMN CC1CCN(Cc2nnc(-c3cn(CC(=O)NCc4ccc(N(C)C)cc4)c4ccccc34)o2)CC1 ZINC000033129400 521027619 /nfs/dbraw/zinc/02/76/19/521027619.db2.gz CETPAXIOYYJJFA-UHFFFAOYSA-N 0 1 486.620 4.306 50 10 JICAMN C[N@@H+](CCc1ccccc1)Cc1cc(I)cc(I)c1[O-] ZINC000016662719 522953828 /nfs/dbraw/zinc/95/38/28/522953828.db2.gz KLBIDGXHXITEMS-UHFFFAOYSA-N 0 1 493.126 4.276 50 10 JICAMN COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 ZINC000016712595 523427897 /nfs/dbraw/zinc/42/78/97/523427897.db2.gz MVVPLIMUDGBURG-SLHXSTLSSA-N 0 1 492.500 4.247 50 10 JICAMN COc1ccc(C=C2SC(=S)N(C3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 ZINC000016712595 523427909 /nfs/dbraw/zinc/42/79/09/523427909.db2.gz MVVPLIMUDGBURG-SLHXSTLSSA-N 0 1 492.500 4.247 50 10 JICAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000001147492 525559150 /nfs/dbraw/zinc/55/91/50/525559150.db2.gz PDCKCYAVFBXTJM-WQRHYEAKSA-N 0 1 451.435 4.134 50 10 JICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000012349965 526092195 /nfs/dbraw/zinc/09/21/95/526092195.db2.gz KZFVGMIGZYIDJI-RGVLZGJSSA-N 0 1 478.505 4.281 50 10 JICAMN COc1cccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000002213167 554096395 /nfs/dbraw/zinc/09/63/95/554096395.db2.gz WCXHEDVSKPGSIQ-IWIPYMOSSA-N 0 1 499.523 4.374 50 10 JICAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1cc(Cl)ccc1Cl ZINC000002225314 554103027 /nfs/dbraw/zinc/10/30/27/554103027.db2.gz ZMSSRLCGJUQNHP-ATVHPVEESA-N 0 1 474.300 4.129 50 10 JICAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C ZINC000022215808 555885295 /nfs/dbraw/zinc/88/52/95/555885295.db2.gz XNBIGKJBZYIMOK-MHWRWJLKSA-N 0 1 475.364 4.076 50 10 JICAMN COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1OC ZINC000016914568 556178560 /nfs/dbraw/zinc/17/85/60/556178560.db2.gz HEZMICALKWMHEW-VWLOTQADSA-N 0 1 459.590 4.299 50 10 JICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@H](C)COc1ccccc1 ZINC000008722075 569598752 /nfs/dbraw/zinc/59/87/52/569598752.db2.gz ZXBMNCCZVRQNTQ-SYVPYPDPSA-N 0 1 458.514 4.251 50 10 JICAMN COC(=O)C[C@@H](c1cccc(OC)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114851 569733851 /nfs/dbraw/zinc/73/38/51/569733851.db2.gz UJJQDONEMFYLNK-KRWDZBQOSA-N 0 1 462.454 4.280 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccc3c(c2)OCCO3)CC(=O)O1 ZINC000096115513 569734550 /nfs/dbraw/zinc/73/45/50/569734550.db2.gz SYFWJDDMJBREQK-HNNXBMFYSA-N 0 1 458.422 4.083 50 10 biogenic JICAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096115986 569734932 /nfs/dbraw/zinc/73/49/32/569734932.db2.gz UDZUGYBUAQIGPE-HNNXBMFYSA-N 0 1 460.438 4.329 50 10 biogenic JICAMN COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222378 569739385 /nfs/dbraw/zinc/73/93/85/569739385.db2.gz JINQRPWQOXVSIR-QGZVFWFLSA-N 0 1 492.480 4.289 50 10 biogenic JICAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ncc(Br)cc1Br ZINC000100149026 569753960 /nfs/dbraw/zinc/75/39/60/569753960.db2.gz CKRJMSROAZTNRA-MDWZMJQESA-N 0 1 454.097 4.464 50 10 JICAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000009891800 195015284 /nfs/dbraw/zinc/01/52/84/195015284.db2.gz PCELANAUQFZJOQ-YBFXNURJSA-N 0 1 461.434 4.122 50 10 JICAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1 ZINC000096234390 130001310 /nfs/dbraw/zinc/00/13/10/130001310.db2.gz YRCDAHSZYRFMFS-CAOOACKPSA-N 0 1 454.349 4.379 50 10 JICAMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001172269 523337859 /nfs/dbraw/zinc/33/78/59/523337859.db2.gz USNHEGOFXRUJPK-CPNJWEJPSA-N 0 1 482.359 4.080 50 10 JICAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1[N+](=O)[O-] ZINC000001203945 523407730 /nfs/dbraw/zinc/40/77/30/523407730.db2.gz GVBACBMVCFBYHZ-MDWZMJQESA-N 0 1 476.308 4.346 50 10 JICAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000001172288 524383487 /nfs/dbraw/zinc/38/34/87/524383487.db2.gz LXRAHKBXEADANO-CPNJWEJPSA-N 0 1 482.359 4.080 50 10 JICAMN C[C@@H](Cc1cncs1)[NH2+]C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246638 524944039 /nfs/dbraw/zinc/94/40/39/524944039.db2.gz BCTFZSMFFVZZGY-KRWDZBQOSA-N 0 1 474.627 4.273 50 10 JICAMN COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000002601176 525078705 /nfs/dbraw/zinc/07/87/05/525078705.db2.gz MAJGPQBXULFPBG-UHFFFAOYSA-N 0 1 491.587 4.166 50 10 JICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000000658588 553737645 /nfs/dbraw/zinc/73/76/45/553737645.db2.gz XXYAHMAKWZFIMM-MOSHPQCFSA-N 0 1 450.466 4.375 50 10 JICAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000002283148 554131946 /nfs/dbraw/zinc/13/19/46/554131946.db2.gz VAEYJOSBWQAWHS-UCQKPKSFSA-N 0 1 453.473 4.491 50 10 JICAMN COc1ccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)CC2)cc1 ZINC000004004554 554472256 /nfs/dbraw/zinc/47/22/56/554472256.db2.gz LOIZBJVKBCDYBR-UHFFFAOYSA-N 0 1 492.645 4.223 50 10 JICAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165265 554950813 /nfs/dbraw/zinc/95/08/13/554950813.db2.gz FOBVGMWRSJNADQ-DEOSSOPVSA-N 0 1 469.029 4.313 50 10 JICAMN COc1ccc(N2CCN(C[C@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013146009 555344098 /nfs/dbraw/zinc/34/40/98/555344098.db2.gz WVIRSODSHUDUOW-VWLOTQADSA-N 0 1 468.544 4.263 50 10 JICAMN CCCCCCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O ZINC000017028741 556207707 /nfs/dbraw/zinc/20/77/07/556207707.db2.gz ORYZILOQQISOSS-KQWNVCNZSA-N 0 1 493.560 4.275 50 10 JICAMN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008714000 569596225 /nfs/dbraw/zinc/59/62/25/569596225.db2.gz FYJJSJPXJURETO-SXGWCWSVSA-N 0 1 463.924 4.184 50 10 JICAMN O=C1C[C@H](c2cccc3nccnc32)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115799 569734684 /nfs/dbraw/zinc/73/46/84/569734684.db2.gz VKLLOFFWHHBLGD-OAHLLOKOSA-N 0 1 452.422 4.255 50 10 biogenic JICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2cccc3nccnc32)CC(=O)O1 ZINC000096115799 569734686 /nfs/dbraw/zinc/73/46/86/569734686.db2.gz VKLLOFFWHHBLGD-OAHLLOKOSA-N 0 1 452.422 4.255 50 10 biogenic JICAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1OC ZINC000096115824 569734808 /nfs/dbraw/zinc/73/48/08/569734808.db2.gz AARBJSSMMDOSNC-OAHLLOKOSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1=O ZINC000096116219 569735037 /nfs/dbraw/zinc/73/50/37/569735037.db2.gz YQVGXBNEJFUMAU-MRXNPFEDSA-N 0 1 481.460 4.164 50 10 biogenic JICAMN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1=O ZINC000096116219 569735038 /nfs/dbraw/zinc/73/50/38/569735038.db2.gz YQVGXBNEJFUMAU-MRXNPFEDSA-N 0 1 481.460 4.164 50 10 biogenic JICAMN COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221340 569738911 /nfs/dbraw/zinc/73/89/11/569738911.db2.gz GUMQZJZTGPZDLK-INIZCTEOSA-N 0 1 499.475 4.113 50 10 biogenic JICAMN CC(=O)Nc1ccc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000101491209 569799898 /nfs/dbraw/zinc/79/98/98/569799898.db2.gz SDKQVFBSCFHRGD-YBEGLDIGSA-N 0 1 458.272 4.034 50 10 JICAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000002916313 527055563 /nfs/dbraw/zinc/05/55/63/527055563.db2.gz ZKKIAWLNFSLQAM-IZZDOVSWSA-N 0 1 472.147 4.293 50 10 JICAMN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000000661036 553739468 /nfs/dbraw/zinc/73/94/68/553739468.db2.gz RFOAKWNFEPVIMH-MHWRWJLKSA-N 0 1 475.364 4.076 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1O ZINC000000664766 553741317 /nfs/dbraw/zinc/74/13/17/553741317.db2.gz JCRIVGUQNKAXDA-RIYZIHGNSA-N 0 1 475.364 4.002 50 10 JICAMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000002818331 554363732 /nfs/dbraw/zinc/36/37/32/554363732.db2.gz NYRHVFLVOBPMHD-GZTJUZNOSA-N 0 1 459.365 4.296 50 10 JICAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(OC)cc1 ZINC000009137211 554932929 /nfs/dbraw/zinc/93/29/29/554932929.db2.gz DOGCMGJTRSYSOU-HAVVHWLPSA-N 0 1 474.513 4.013 50 10 JICAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1 ZINC000009311388 555087752 /nfs/dbraw/zinc/08/77/52/555087752.db2.gz ALWRWBFFXZSIFJ-MOSHPQCFSA-N 0 1 477.498 4.393 50 10 JICAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 ZINC000009348375 555114740 /nfs/dbraw/zinc/11/47/40/555114740.db2.gz MORZMSLCFPCUOT-UYRXBGFRSA-N 0 1 463.471 4.085 50 10 JICAMN COc1cccc(OCCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000013571315 555509669 /nfs/dbraw/zinc/50/96/69/555509669.db2.gz WCXHEDVSKPGSIQ-BUVRLJJBSA-N 0 1 499.523 4.374 50 10 JICAMN O=S(=O)([N-]c1cccc(N2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)c1)c1ccc(F)cc1 ZINC000012151585 555924515 /nfs/dbraw/zinc/92/45/15/555924515.db2.gz MFVYRYDWVIDHBB-HHHXNRCGSA-N 0 1 495.620 4.499 50 10 JICAMN NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000015769463 555988465 /nfs/dbraw/zinc/98/84/65/555988465.db2.gz SADMANPJFDITJB-VGOFMYFVSA-N 0 1 473.341 4.105 50 10 JICAMN COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000015947396 556085197 /nfs/dbraw/zinc/08/51/97/556085197.db2.gz NFUYXHQXIAYJHW-QGZVFWFLSA-N 0 1 452.374 4.420 50 10 JICAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(C)c2O)N3)C1 ZINC000015947297 556085250 /nfs/dbraw/zinc/08/52/50/556085250.db2.gz KNVKZDZORHIUPX-INIZCTEOSA-N 0 1 469.348 4.174 50 10 JICAMN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000016914231 556178317 /nfs/dbraw/zinc/17/83/17/556178317.db2.gz PPQRLEPRCABVMO-VWLOTQADSA-N 0 1 489.616 4.308 50 10 JICAMN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c(OC)c1 ZINC000016914415 556178662 /nfs/dbraw/zinc/17/86/62/556178662.db2.gz MVTYODTZSOZUFP-AREMUKBSSA-N 0 1 459.590 4.299 50 10 JICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C(F)(F)F)oc32)CC1 ZINC000019791708 556370709 /nfs/dbraw/zinc/37/07/09/556370709.db2.gz WFJCANPJJSXSAA-UHFFFAOYSA-N 0 1 492.494 4.339 50 10 biogenic JICAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000095471033 569723300 /nfs/dbraw/zinc/72/33/00/569723300.db2.gz HVARKFFXFLPRFD-CJLVFECKSA-N 0 1 452.580 4.197 50 10 JICAMN COc1cc(OC)c([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096114071 569733292 /nfs/dbraw/zinc/73/32/92/569733292.db2.gz MXVPSBOLPVXYDJ-HNNXBMFYSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC ZINC000096115587 569734610 /nfs/dbraw/zinc/73/46/10/569734610.db2.gz CKLCLOBIRGAOTC-OAHLLOKOSA-N 0 1 490.464 4.338 50 10 biogenic JICAMN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)cc2c1 ZINC000096115781 569734740 /nfs/dbraw/zinc/73/47/40/569734740.db2.gz FHSQUOSTTLAWDT-MRXNPFEDSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c(O)c(=O)c5c(O)cc(-c6ccccc6)oc-5c43)cc2c1 ZINC000096115781 569734741 /nfs/dbraw/zinc/73/47/41/569734741.db2.gz FHSQUOSTTLAWDT-MRXNPFEDSA-N 0 1 497.459 4.162 50 10 biogenic JICAMN COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096220949 569738549 /nfs/dbraw/zinc/73/85/49/569738549.db2.gz OTOKYHPOJGLBIC-LLVKDONJSA-N 0 1 492.465 4.087 50 10 biogenic JICAMN COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222246 569739540 /nfs/dbraw/zinc/73/95/40/569739540.db2.gz WULUNHUSIGHELC-KRWDZBQOSA-N 0 1 490.464 4.058 50 10 biogenic JICAMN