smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009271649 124075161 /nfs/dbraw/zinc/07/51/61/124075161.db2.gz SWZWOLNAJAVRSK-NXLSWJSLSA-N 0 1 480.561 3.156 50 30 JGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000004039421 194371925 /nfs/dbraw/zinc/37/19/25/194371925.db2.gz LJPDIYPSIKDJHF-JOCHJYFZSA-N 0 1 481.549 3.123 50 30 JGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000004039421 194371928 /nfs/dbraw/zinc/37/19/28/194371928.db2.gz LJPDIYPSIKDJHF-JOCHJYFZSA-N 0 1 481.549 3.123 50 30 JGEAMN CCOC(=O)C1C(COC(=O)c2ccccc2SCC#N)=NC(=O)N[C@@H]1c1ccccc1 ZINC000012781100 195124714 /nfs/dbraw/zinc/12/47/14/195124714.db2.gz CSZJWZGJMHWFFL-HXUWFJFHSA-N 0 1 451.504 3.330 50 30 JGEAMN C=CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036309966 128395300 /nfs/dbraw/zinc/39/53/00/128395300.db2.gz JBQAMWZGENBMRA-IRLDBZIGSA-N 0 1 458.624 3.447 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102486934 130141235 /nfs/dbraw/zinc/14/12/35/130141235.db2.gz FACPATDWNIBCQS-JBCNATCCSA-N 0 1 453.495 3.367 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102489757 130143145 /nfs/dbraw/zinc/14/31/45/130143145.db2.gz AQKFYUGDMNALEK-AYWGPLOBSA-N 0 1 460.534 3.173 50 30 JGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102502688 130156242 /nfs/dbraw/zinc/15/62/42/130156242.db2.gz OOWRDZAKYPFMJG-NXLSWJSLSA-N 0 1 490.560 3.181 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000102523644 130176219 /nfs/dbraw/zinc/17/62/19/130176219.db2.gz WEVRXJFBRDWISO-MRJHHRETSA-N 0 1 456.564 3.291 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102533676 130187373 /nfs/dbraw/zinc/18/73/73/130187373.db2.gz KDCIXVNMJKBQCD-QOJBNDRUSA-N 0 1 473.957 3.445 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000102558423 130207673 /nfs/dbraw/zinc/20/76/73/130207673.db2.gz FKHCWBJVRCIELF-ZHHPLPSFSA-N 0 1 498.963 3.255 50 30 JGEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1Cc1cccnc1 ZINC000102698245 130244817 /nfs/dbraw/zinc/24/48/17/130244817.db2.gz DMQSVEPGQOHELN-AYWGPLOBSA-N 0 1 458.470 3.483 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102715879 130262508 /nfs/dbraw/zinc/26/25/08/130262508.db2.gz FRCOCOGLMULKRO-ZHHPLPSFSA-N 0 1 450.535 3.229 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102728314 130272529 /nfs/dbraw/zinc/27/25/29/130272529.db2.gz PUDURMAARRCKAS-HOGKFDNTSA-N 0 1 473.441 3.383 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102730992 130274869 /nfs/dbraw/zinc/27/48/69/130274869.db2.gz ZYYBFAJOVRWWTF-HOGKFDNTSA-N 0 1 455.507 3.479 50 30 JGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102771347 130295934 /nfs/dbraw/zinc/29/59/34/130295934.db2.gz CEGNKASTATTZLW-LEQIOXTRSA-N 0 1 459.502 3.424 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102866120 130339576 /nfs/dbraw/zinc/33/95/76/130339576.db2.gz PELSJPICBHZYFW-AYWGPLOBSA-N 0 1 462.502 3.195 50 30 JGEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102877856 130351559 /nfs/dbraw/zinc/35/15/59/130351559.db2.gz XEWPLJBEAQVDIV-MRJHHRETSA-N 0 1 456.926 3.103 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102883771 130364472 /nfs/dbraw/zinc/36/44/72/130364472.db2.gz UXTLKAUJNBNMJF-ZHHPLPSFSA-N 0 1 498.576 3.485 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102886486 130367894 /nfs/dbraw/zinc/36/78/94/130367894.db2.gz IBAIFRTWNLPPIE-FYPOKDMHSA-N 0 1 492.572 3.163 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102888193 130369810 /nfs/dbraw/zinc/36/98/10/130369810.db2.gz SDLNRFYDSOZUSU-HOGKFDNTSA-N 0 1 468.550 3.474 50 30 JGEAMN C#CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309390 518308272 /nfs/dbraw/zinc/30/82/72/518308272.db2.gz NPFJBKPMNWFJJU-GGAORHGYSA-N 0 1 470.635 3.202 50 30 JGEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(CN2CCOCC2)c1 ZINC000020606220 518835048 /nfs/dbraw/zinc/83/50/48/518835048.db2.gz PVZSAMQLPDJKRB-DEOSSOPVSA-N 0 1 478.545 3.300 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009159441 519018218 /nfs/dbraw/zinc/01/82/18/519018218.db2.gz YUEVSLAUQMLQFA-XMMPIXPASA-N 0 1 478.545 3.258 50 30 JGEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000009459620 519047332 /nfs/dbraw/zinc/04/73/32/519047332.db2.gz UJVDNOQQXHUVAT-OAQYLSRUSA-N 0 1 468.506 3.480 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009357775 520419298 /nfs/dbraw/zinc/41/92/98/520419298.db2.gz BSWXHDYTEYTDQV-ZHHPLPSFSA-N 0 1 466.534 3.230 50 30 JGEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OC)CC1 ZINC000009355076 520646059 /nfs/dbraw/zinc/64/60/59/520646059.db2.gz GEOCAFMXNXJYPG-IBGZPJMESA-N 0 1 458.566 3.488 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009459130 520877747 /nfs/dbraw/zinc/87/77/47/520877747.db2.gz XEIRRBJVFCBFAA-HXUWFJFHSA-N 0 1 490.350 3.435 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009459132 520878286 /nfs/dbraw/zinc/87/82/86/520878286.db2.gz XEIRRBJVFCBFAA-FQEVSTJZSA-N 0 1 490.350 3.435 50 30 JGEAMN CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000009031485 520964176 /nfs/dbraw/zinc/96/41/76/520964176.db2.gz ZZOCKGGUEJKKRL-AZUAARDMSA-N 0 1 472.549 3.393 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009455259 521238199 /nfs/dbraw/zinc/23/81/99/521238199.db2.gz DPFJRWMVTIVFPA-HSZRJFAPSA-N 0 1 483.517 3.480 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000009008371 521265339 /nfs/dbraw/zinc/26/53/39/521265339.db2.gz ODMMCMVBVPTEOP-NXLSWJSLSA-N 0 1 480.561 3.238 50 30 JGEAMN CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000009348015 521305633 /nfs/dbraw/zinc/30/56/33/521305633.db2.gz PWKRKWCPNVUDQB-LEWJYISDSA-N 0 1 471.561 3.375 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1C ZINC000009275527 521359964 /nfs/dbraw/zinc/35/99/64/521359964.db2.gz MEOGQSNSBXCEAZ-NRFANRHFSA-N 0 1 453.539 3.257 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1C ZINC000009275527 521359973 /nfs/dbraw/zinc/35/99/73/521359973.db2.gz MEOGQSNSBXCEAZ-NRFANRHFSA-N 0 1 453.539 3.257 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009008293 522164793 /nfs/dbraw/zinc/16/47/93/522164793.db2.gz IKCZKZYZBFQRPZ-JBCNATCCSA-N 0 1 478.501 3.211 50 30 JGEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009243947 522245791 /nfs/dbraw/zinc/24/57/91/522245791.db2.gz CLOVAKONGIWNSK-XMMPIXPASA-N 0 1 488.544 3.389 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009046367 523374404 /nfs/dbraw/zinc/37/44/04/523374404.db2.gz BAGGMFPMCAJGIJ-MRJHHRETSA-N 0 1 474.941 3.349 50 30 JGEAMN COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c(OC)c1OC ZINC000020573429 523419928 /nfs/dbraw/zinc/41/99/28/523419928.db2.gz QZPZLISBWVCNPN-MOSHPQCFSA-N 0 1 454.523 3.090 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009086322 523553181 /nfs/dbraw/zinc/55/31/81/523553181.db2.gz YIQXGGPUBXTNCC-DEOSSOPVSA-N 0 1 496.560 3.018 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000009019921 523559458 /nfs/dbraw/zinc/55/94/58/523559458.db2.gz OTZFIRFRTQQBIM-QHCPKHFHSA-N 0 1 450.535 3.223 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009374723 523794938 /nfs/dbraw/zinc/79/49/38/523794938.db2.gz QRNSALVSMSAEKX-QKKBWIMNSA-N 0 1 451.475 3.021 50 30 JGEAMN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000009595279 524022311 /nfs/dbraw/zinc/02/23/11/524022311.db2.gz XJCRODNHSNZUMG-IBGZPJMESA-N 0 1 489.509 3.290 50 30 JGEAMN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000009595279 524022316 /nfs/dbraw/zinc/02/23/16/524022316.db2.gz XJCRODNHSNZUMG-IBGZPJMESA-N 0 1 489.509 3.290 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000009270724 524169732 /nfs/dbraw/zinc/16/97/32/524169732.db2.gz JPEKRPZFFWUSGZ-MRJHHRETSA-N 0 1 450.491 3.433 50 30 JGEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(OC)c3OC)oc21 ZINC000009045650 524258170 /nfs/dbraw/zinc/25/81/70/524258170.db2.gz HHLNRYKKRHPPIF-JBCNATCCSA-N 0 1 480.517 3.442 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000016735580 525221357 /nfs/dbraw/zinc/22/13/57/525221357.db2.gz ZUZHFGFEFBXMEB-GAJHUEQPSA-N 0 1 481.501 3.232 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009274141 525224637 /nfs/dbraw/zinc/22/46/37/525224637.db2.gz XKSWQIDORWWUAZ-HSZRJFAPSA-N 0 1 460.534 3.329 50 30 JGEAMN Ic1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1 ZINC000009310326 526426582 /nfs/dbraw/zinc/42/65/82/526426582.db2.gz HWEMPXXGIOVPAL-UDWIEESQSA-N 0 1 491.293 3.095 50 30 JGEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1 ZINC000009453026 526834153 /nfs/dbraw/zinc/83/41/53/526834153.db2.gz CNWJXKSAFDRHAO-MRXNPFEDSA-N 0 1 452.326 3.098 50 30 JGEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1 ZINC000009359022 527315111 /nfs/dbraw/zinc/31/51/11/527315111.db2.gz KIWDUKNIFIJHKW-HXUWFJFHSA-N 0 1 497.460 3.164 50 30 JGEAMN O=C(c1ccncc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000020480143 527670720 /nfs/dbraw/zinc/67/07/20/527670720.db2.gz IVAWYQKZTGBUKT-HXUWFJFHSA-N 0 1 486.366 3.145 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102520062 535284382 /nfs/dbraw/zinc/28/43/82/535284382.db2.gz ZUJCCEDJXZEHFI-HFEWCJDKSA-N 0 1 483.565 3.190 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1Cl ZINC000102528852 536563391 /nfs/dbraw/zinc/56/33/91/536563391.db2.gz GOGWNLOPNIVJCD-MOBKVPTQSA-N 0 1 470.953 3.493 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102728554 536566481 /nfs/dbraw/zinc/56/64/81/536566481.db2.gz JYJNXQGSDDPBCP-HOGKFDNTSA-N 0 1 484.549 3.013 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000102925044 536567076 /nfs/dbraw/zinc/56/70/76/536567076.db2.gz FHEAYRPLOBVICT-HOGKFDNTSA-N 0 1 486.952 3.111 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000102925041 536567963 /nfs/dbraw/zinc/56/79/63/536567963.db2.gz FHEAYRPLOBVICT-MOBKVPTQSA-N 0 1 486.952 3.111 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102721650 536854221 /nfs/dbraw/zinc/85/42/21/536854221.db2.gz WCWYOQGETCVNKW-JBCNATCCSA-N 0 1 471.506 3.098 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000000716684 553769092 /nfs/dbraw/zinc/76/90/92/553769092.db2.gz LSUQUVKJORGOFF-LJQANCHMSA-N 0 1 457.324 3.317 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000000908092 553840283 /nfs/dbraw/zinc/84/02/83/553840283.db2.gz RAKXHCKAFMIWGI-JOCHJYFZSA-N 0 1 477.542 3.110 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008779515 554676753 /nfs/dbraw/zinc/67/67/53/554676753.db2.gz WRZKWMJEDWXZOQ-JOCHJYFZSA-N 0 1 454.498 3.135 50 30 JGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000008817080 554699530 /nfs/dbraw/zinc/69/95/30/554699530.db2.gz CYGBIWPRPQMXDY-QFIPXVFZSA-N 0 1 478.524 3.001 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)c(OC)c1 ZINC000008817190 554699769 /nfs/dbraw/zinc/69/97/69/554699769.db2.gz VTNACDIGHXSZJP-QFIPXVFZSA-N 0 1 454.523 3.161 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000008817545 554700406 /nfs/dbraw/zinc/70/04/06/554700406.db2.gz OVNXQJINXJJFTA-AYWGPLOBSA-N 0 1 468.550 3.476 50 30 JGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000008827260 554717370 /nfs/dbraw/zinc/71/73/70/554717370.db2.gz YCAYAXYXIZKHGE-HSZRJFAPSA-N 0 1 474.561 3.252 50 30 JGEAMN 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CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000012575306 556075393 /nfs/dbraw/zinc/07/53/93/556075393.db2.gz XQOWLTLRXONREL-NRFANRHFSA-N 0 1 454.523 3.242 50 30 JGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Br)c1 ZINC000012757816 556108532 /nfs/dbraw/zinc/10/85/32/556108532.db2.gz HLGOVJVEJJFIKB-FQEVSTJZSA-N 0 1 487.350 3.360 50 30 JGEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCN(C)C ZINC000024192910 556125562 /nfs/dbraw/zinc/12/55/62/556125562.db2.gz KKFJLCILGNKHBT-VWLOTQADSA-N 0 1 467.953 3.391 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016734858 556156142 /nfs/dbraw/zinc/15/61/42/556156142.db2.gz FSVYNHNJRVGBTR-QFIPXVFZSA-N 0 1 464.518 3.178 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000016944377 556182332 /nfs/dbraw/zinc/18/23/32/556182332.db2.gz JOWMURTZUWXZLI-QHCPKHFHSA-N 0 1 450.535 3.304 50 30 JGEAMN 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COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013110982 556312081 /nfs/dbraw/zinc/31/20/81/556312081.db2.gz NVTNJVZQOPGZHW-GCJKJVERSA-N 0 1 453.491 3.470 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013110980 556312090 /nfs/dbraw/zinc/31/20/90/556312090.db2.gz NVTNJVZQOPGZHW-AVRDEDQJSA-N 0 1 453.491 3.470 50 30 JGEAMN COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000057063736 563206459 /nfs/dbraw/zinc/20/64/59/563206459.db2.gz ISBKJDDIANGRKM-CTNGQTDRSA-N 0 1 459.550 3.137 50 30 JGEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677101 569641778 /nfs/dbraw/zinc/64/17/78/569641778.db2.gz LGVLHQXMYGLEGF-LJQANCHMSA-N 0 1 466.504 3.068 50 30 JGEAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137423 569668244 /nfs/dbraw/zinc/66/82/44/569668244.db2.gz ZWBPEYCURQAONC-UHFFFAOYSA-N 0 1 455.565 3.366 50 30 JGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000085412824 569710655 /nfs/dbraw/zinc/71/06/55/569710655.db2.gz UCDVFIGWJNPIDF-QFIPXVFZSA-N 0 1 480.517 3.107 50 30 JGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000085412819 569710690 /nfs/dbraw/zinc/71/06/90/569710690.db2.gz UCDVFIGWJNPIDF-JOCHJYFZSA-N 0 1 480.517 3.107 50 30 JGEAMN CCCCCCCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000101087095 569782076 /nfs/dbraw/zinc/78/20/76/569782076.db2.gz ZWEPDIQJEMDPHB-UHFFFAOYSA-N 0 1 480.657 3.159 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101928250 569808004 /nfs/dbraw/zinc/80/80/04/569808004.db2.gz NGGIDWAJMBSNFI-MRJHHRETSA-N 0 1 453.495 3.365 50 30 JGEAMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)cc1 ZINC000039791517 569812053 /nfs/dbraw/zinc/81/20/53/569812053.db2.gz ZTSKAYLSNCHOHG-UHFFFAOYSA-N 0 1 459.594 3.377 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873110 569826004 /nfs/dbraw/zinc/82/60/04/569826004.db2.gz VZDYFKQEDMIKQM-PJAZINMSSA-N 0 1 453.491 3.313 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000102875888 569826330 /nfs/dbraw/zinc/82/63/30/569826330.db2.gz DGIVKDXJENBYAV-PGVNHDJNSA-N 0 1 490.472 3.343 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1 ZINC000102884150 569826531 /nfs/dbraw/zinc/82/65/31/569826531.db2.gz BEAUAKQHEMNVDR-ZHHPLPSFSA-N 0 1 465.550 3.014 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000104006124 569839916 /nfs/dbraw/zinc/83/99/16/569839916.db2.gz IPIBHIVWANYVBW-NYSCORLISA-N 0 1 465.502 3.255 50 30 JGEAMN C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1 ZINC000105002825 569849180 /nfs/dbraw/zinc/84/91/80/569849180.db2.gz DIQGBFQZMLIWAW-QPPBQGQZSA-N 0 1 468.619 3.036 50 30 JGEAMN C=CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1 ZINC000105002623 569849325 /nfs/dbraw/zinc/84/93/25/569849325.db2.gz SLITVIICMVLYNN-YKSBVNFPSA-N 0 1 486.634 3.289 50 30 JGEAMN CCC1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)NC1=O ZINC000252605109 570085537 /nfs/dbraw/zinc/08/55/37/570085537.db2.gz GFOKQFVWYCMOIJ-SFHVURJKSA-N 0 1 476.536 3.311 50 30 JGEAMN CCN(CC)c1ccc(C=NN/C=C2/c3ccc(C4=NNC(=O)CC4)cc3N(CC)C2=O)cc1 ZINC000252625229 570088150 /nfs/dbraw/zinc/08/81/50/570088150.db2.gz QFRUZJVNXDQAAP-HCABERSFSA-N 0 1 458.566 3.478 50 30 JGEAMN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1 ZINC000252642748 570090663 /nfs/dbraw/zinc/09/06/63/570090663.db2.gz ZPIJHHSIECXQQV-UHFFFAOYSA-N 0 1 483.960 3.213 50 30 JGEAMN C[C@@H]1CC[C@@H]2[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13 ZINC000253488049 570099961 /nfs/dbraw/zinc/09/99/61/570099961.db2.gz WANWSAWPRCZBGT-NIQYBIRWSA-N 0 1 468.594 3.058 50 30 JGEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 ZINC000254592093 570106078 /nfs/dbraw/zinc/10/60/78/570106078.db2.gz FPIVUMUGARKCLA-UHFFFAOYSA-N 0 1 483.326 3.101 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009403463 124130868 /nfs/dbraw/zinc/13/08/68/124130868.db2.gz XPUQSYWNXYKCKO-NXLSWJSLSA-N 0 1 496.560 3.239 50 30 JGEAMN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020612368 195186000 /nfs/dbraw/zinc/18/60/00/195186000.db2.gz HKCGPXDYAIWCMR-RMUNQMPPSA-N 0 1 468.594 3.060 50 30 biogenic JGEAMN COc1c2c(cc([C@@H]3C(C(=O)c4cccs4)=C(O)C(=O)N3CCN3CCCC3)c1OC)OCO2 ZINC000096335796 130071856 /nfs/dbraw/zinc/07/18/56/130071856.db2.gz VTRZLICDTQOOBB-GOSISDBHSA-N 0 1 486.546 3.168 50 30 JGEAMN NC(=O)c1ccccc1NC(=O)C(=O)[C@@H](C(=O)C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299978 130118763 /nfs/dbraw/zinc/11/87/63/130118763.db2.gz ZBNMKIWFOPKOGJ-TWKGTMJUSA-N 0 1 468.465 3.104 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102368874 130123280 /nfs/dbraw/zinc/12/32/80/130123280.db2.gz QFBDWHLMKDSUPV-SBXHHDGASA-N 0 1 480.561 3.323 50 30 JGEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000102533331 130187020 /nfs/dbraw/zinc/18/70/20/130187020.db2.gz VGQVOGZNUHWAAZ-MOBKVPTQSA-N 0 1 450.466 3.326 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(OC)c2)c1C ZINC000102541670 130197677 /nfs/dbraw/zinc/19/76/77/130197677.db2.gz QKVRBHKUCNAWEF-HFEWCJDKSA-N 0 1 492.532 3.135 50 30 JGEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccco2)nc1C ZINC000102694110 130240561 /nfs/dbraw/zinc/24/05/61/130240561.db2.gz LOEHCDJYYPHFAG-IBOXJLQUSA-N 0 1 454.460 3.466 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102695313 130241914 /nfs/dbraw/zinc/24/19/14/130241914.db2.gz KWEILDRTJVPWSP-MOBKVPTQSA-N 0 1 485.533 3.488 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102707426 130253809 /nfs/dbraw/zinc/25/38/09/130253809.db2.gz YFUKERKFKRCXQK-HOGKFDNTSA-N 0 1 463.465 3.305 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102878314 130352194 /nfs/dbraw/zinc/35/21/94/130352194.db2.gz SLPYZUQOTWFPRK-ZHHPLPSFSA-N 0 1 468.550 3.394 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102885611 130366645 /nfs/dbraw/zinc/36/66/45/130366645.db2.gz GFGFUZUEXLNXGS-NXLSWJSLSA-N 0 1 480.561 3.325 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102888191 130369642 /nfs/dbraw/zinc/36/96/42/130369642.db2.gz SDLNRFYDSOZUSU-MOBKVPTQSA-N 0 1 468.550 3.474 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102888904 130370292 /nfs/dbraw/zinc/37/02/92/130370292.db2.gz YKODINDEQMLVMA-ZHHPLPSFSA-N 0 1 468.550 3.476 50 30 JGEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102891131 130372646 /nfs/dbraw/zinc/37/26/46/130372646.db2.gz WIYZDPBGRISWMD-NXLSWJSLSA-N 0 1 480.561 3.236 50 30 JGEAMN C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036306959 518300117 /nfs/dbraw/zinc/30/01/17/518300117.db2.gz GQOCBWWCLLCNJA-QFIPXVFZSA-N 0 1 467.541 3.478 50 30 JGEAMN C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309635 518308101 /nfs/dbraw/zinc/30/81/01/518308101.db2.gz MPMPFCSOENPVEG-OFNKIYASSA-N 0 1 474.598 3.115 50 30 JGEAMN C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309502 518308225 /nfs/dbraw/zinc/30/82/25/518308225.db2.gz IQZYJRUVCBLECX-QPPBQGQZSA-N 0 1 470.635 3.284 50 30 JGEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015319801 518606109 /nfs/dbraw/zinc/60/61/09/518606109.db2.gz LJQKSAIRVJCXHL-POHGFMBCSA-N 0 1 475.614 3.331 50 30 JGEAMN C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CCN(C)C ZINC000020461543 518878946 /nfs/dbraw/zinc/87/89/46/518878946.db2.gz UQJRXMVITFQELU-MUUNZHRXSA-N 0 1 489.572 3.302 50 30 JGEAMN C=CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036309576 518981161 /nfs/dbraw/zinc/98/11/61/518981161.db2.gz NYVQDPNVDHMBKT-REWPJTCUSA-N 0 1 474.598 3.420 50 30 JGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000016247518 519047361 /nfs/dbraw/zinc/04/73/61/519047361.db2.gz AOWZZVAFWRTGCT-VWLOTQADSA-N 0 1 492.572 3.479 50 30 JGEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009186629 520469815 /nfs/dbraw/zinc/46/98/15/520469815.db2.gz ZBOLAAXHALLVTQ-AYWGPLOBSA-N 0 1 468.525 3.368 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000009159864 520860775 /nfs/dbraw/zinc/86/07/75/520860775.db2.gz GPCCYYAGCBPAIB-QHCPKHFHSA-N 0 1 465.550 3.171 50 30 JGEAMN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000009348013 521122969 /nfs/dbraw/zinc/12/29/69/521122969.db2.gz PWKRKWCPNVUDQB-NHCUHLMSSA-N 0 1 471.561 3.375 50 30 JGEAMN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1 ZINC000004327838 521123609 /nfs/dbraw/zinc/12/36/09/521123609.db2.gz IUMXMQSPIMHHAM-WOJBJXKFSA-N 0 1 457.534 3.333 50 30 aggregator JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000009176963 521233467 /nfs/dbraw/zinc/23/34/67/521233467.db2.gz TXBWRLUXGPTTHR-SBXHHDGASA-N 0 1 498.551 3.377 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020264095 521266696 /nfs/dbraw/zinc/26/66/96/521266696.db2.gz MIRBFKRHYGRUSS-QHCPKHFHSA-N 0 1 484.524 3.144 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020227863 521267223 /nfs/dbraw/zinc/26/72/23/521267223.db2.gz MJJPQWDJUQGDQE-DEOSSOPVSA-N 0 1 496.560 3.013 50 30 JGEAMN COc1cc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)cc(OC)c1OC ZINC000020590406 521965541 /nfs/dbraw/zinc/96/55/41/521965541.db2.gz OQDYXNVSECAELA-ODLFYWEKSA-N 0 1 454.523 3.090 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009008294 522170841 /nfs/dbraw/zinc/17/08/41/522170841.db2.gz IKCZKZYZBFQRPZ-MRJHHRETSA-N 0 1 478.501 3.211 50 30 JGEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000022575010 522249294 /nfs/dbraw/zinc/24/92/94/522249294.db2.gz FLEYQDSSVIXUCK-DEOSSOPVSA-N 0 1 475.545 3.409 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1 ZINC000009242433 523281972 /nfs/dbraw/zinc/28/19/72/523281972.db2.gz GXHGKVLZMFOAOE-JOCHJYFZSA-N 0 1 452.507 3.139 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009085943 523551478 /nfs/dbraw/zinc/55/14/78/523551478.db2.gz DWAXUCFGEIQCAF-QHCPKHFHSA-N 0 1 450.535 3.304 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009018929 523552646 /nfs/dbraw/zinc/55/26/46/523552646.db2.gz IQYRQFVUGAKUNN-HSZRJFAPSA-N 0 1 466.534 3.010 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000020606216 523563238 /nfs/dbraw/zinc/56/32/38/523563238.db2.gz DBSFEUIAPMGJFO-UWJYYQICSA-N 0 1 453.491 3.470 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000022185114 523565659 /nfs/dbraw/zinc/56/56/59/523565659.db2.gz PDXKVWDNEQBJJW-OAQYLSRUSA-N 0 1 482.489 3.265 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004019571 523795123 /nfs/dbraw/zinc/79/51/23/523795123.db2.gz GLMBDLGBVUWOSA-FPTDNZKUSA-N 0 1 453.491 3.252 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)c1C ZINC000009070718 524020711 /nfs/dbraw/zinc/02/07/11/524020711.db2.gz XWWRQXYFDNSLPK-IBGZPJMESA-N 0 1 459.930 3.211 50 30 JGEAMN 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Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C)cc1 ZINC000020439746 527091540 /nfs/dbraw/zinc/09/15/40/527091540.db2.gz QSDNLMGZNRCSSN-QHCPKHFHSA-N 0 1 474.561 3.170 50 30 JGEAMN O=C(c1ccncc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000020480145 527670829 /nfs/dbraw/zinc/67/08/29/527670829.db2.gz IVAWYQKZTGBUKT-FQEVSTJZSA-N 0 1 486.366 3.145 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102701717 534968763 /nfs/dbraw/zinc/96/87/63/534968763.db2.gz NTMSZQHUHVDLNW-HOGKFDNTSA-N 0 1 452.507 3.186 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102799138 536539930 /nfs/dbraw/zinc/53/99/30/536539930.db2.gz QPSHCXMZUUFFOF-YDJIHCHBSA-N 0 1 492.981 3.049 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102721645 536854701 /nfs/dbraw/zinc/85/47/01/536854701.db2.gz WCWYOQGETCVNKW-MRJHHRETSA-N 0 1 471.506 3.098 50 30 JGEAMN 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CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009192283 519778434 /nfs/dbraw/zinc/77/84/34/519778434.db2.gz AUIVSIKIBKWSSB-XMMPIXPASA-N 0 1 480.561 3.480 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009041867 520464212 /nfs/dbraw/zinc/46/42/12/520464212.db2.gz CKJVEMIXVCEVGT-SBXHHDGASA-N 0 1 480.561 3.238 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000009159862 520859132 /nfs/dbraw/zinc/85/91/32/520859132.db2.gz GPCCYYAGCBPAIB-HSZRJFAPSA-N 0 1 465.550 3.171 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OCC(N)=O)cc2)cc1 ZINC000016212933 520859756 /nfs/dbraw/zinc/85/97/56/520859756.db2.gz VFXUYZIUFIYGDO-DEOSSOPVSA-N 0 1 496.560 3.344 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2cccc(Br)c2)cc1 ZINC000009425054 520877631 /nfs/dbraw/zinc/87/76/31/520877631.db2.gz XGFVCWQBOCIWKN-FQEVSTJZSA-N 0 1 490.350 3.435 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016699798 520877824 /nfs/dbraw/zinc/87/78/24/520877824.db2.gz ZEVXMSIFMGOORO-QHCPKHFHSA-N 0 1 466.534 3.004 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016699796 520878511 /nfs/dbraw/zinc/87/85/11/520878511.db2.gz ZEVXMSIFMGOORO-HSZRJFAPSA-N 0 1 466.534 3.004 50 30 JGEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009244300 521422086 /nfs/dbraw/zinc/42/20/86/521422086.db2.gz XVMODKPDUQNFEA-KZVIGXRYSA-N 0 1 450.535 3.392 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009236675 522164303 /nfs/dbraw/zinc/16/43/03/522164303.db2.gz YGBLOAFPYFZALH-HOGKFDNTSA-N 0 1 498.963 3.271 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009242866 522171727 /nfs/dbraw/zinc/17/17/27/522171727.db2.gz MOBVBDNXBXHPKW-IBGZPJMESA-N 0 1 478.482 3.484 50 30 JGEAMN CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009243948 522250378 /nfs/dbraw/zinc/25/03/78/522250378.db2.gz CLOVAKONGIWNSK-DEOSSOPVSA-N 0 1 488.544 3.389 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000009580924 523282152 /nfs/dbraw/zinc/28/21/52/523282152.db2.gz FTEWJHFZDDGNNY-QHCPKHFHSA-N 0 1 498.601 3.476 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000009271666 523554906 /nfs/dbraw/zinc/55/49/06/523554906.db2.gz GKJCEWCYEBJFKE-NRFANRHFSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000009271667 523556330 /nfs/dbraw/zinc/55/63/30/523556330.db2.gz GKJCEWCYEBJFKE-OAQYLSRUSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009123273 523557597 /nfs/dbraw/zinc/55/75/97/523557597.db2.gz DYVHHNWCBGWTHT-JOCHJYFZSA-N 0 1 454.523 3.161 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000017160706 523560314 /nfs/dbraw/zinc/56/03/14/523560314.db2.gz WHZBPDIUVNFPGR-QFIPXVFZSA-N 0 1 454.498 3.053 50 30 JGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(OC)c1OC)O2 ZINC000020610740 523718968 /nfs/dbraw/zinc/71/89/68/523718968.db2.gz VVQATCUKPIAOHR-STZFKDTASA-N 0 1 473.522 3.129 50 30 biogenic JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009374721 523795826 /nfs/dbraw/zinc/79/58/26/523795826.db2.gz QRNSALVSMSAEKX-SZNDQCEHSA-N 0 1 451.475 3.021 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(OC)c2)c1C ZINC000009177062 524021091 /nfs/dbraw/zinc/02/10/91/524021091.db2.gz XBXBVBCERSRORV-QFIPXVFZSA-N 0 1 492.532 3.292 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)c1C ZINC000009235828 524021272 /nfs/dbraw/zinc/02/12/72/524021272.db2.gz CMFUVRRYORSESG-OAQYLSRUSA-N 0 1 462.506 3.283 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015884980 524111801 /nfs/dbraw/zinc/11/18/01/524111801.db2.gz QAURHDCVKBYEMQ-PGRDOPGGSA-N 0 1 451.475 3.224 50 30 JGEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)oc21 ZINC000009662836 524257936 /nfs/dbraw/zinc/25/79/36/524257936.db2.gz RZSDWWKLKHYVRI-JOCHJYFZSA-N 0 1 478.501 3.058 50 30 JGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000008905226 524892191 /nfs/dbraw/zinc/89/21/91/524892191.db2.gz NOJCZTMPMFSGDU-JOCHJYFZSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1cccc(Br)c1)O2 ZINC000020591415 525316090 /nfs/dbraw/zinc/31/60/90/525316090.db2.gz JMKNECTZLPQKGY-MOSHPQCFSA-N 0 1 473.367 3.189 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009354904 525389109 /nfs/dbraw/zinc/38/91/09/525389109.db2.gz HNIQLPNCGMJKAU-QHCPKHFHSA-N 0 1 466.534 3.004 50 30 JGEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000009186815 525552169 /nfs/dbraw/zinc/55/21/69/525552169.db2.gz JSYONGGTTDKCII-QFIPXVFZSA-N 0 1 475.505 3.229 50 30 JGEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000009302195 525552628 /nfs/dbraw/zinc/55/26/28/525552628.db2.gz NIBDPSBWELDLLP-QFIPXVFZSA-N 0 1 475.505 3.229 50 30 JGEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1 ZINC000009425007 526833480 /nfs/dbraw/zinc/83/34/80/526833480.db2.gz SSKFLEKNGASHSL-INIZCTEOSA-N 0 1 452.326 3.098 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1Cl ZINC000102528859 536563972 /nfs/dbraw/zinc/56/39/72/536563972.db2.gz GOGWNLOPNIVJCD-HOGKFDNTSA-N 0 1 470.953 3.493 50 30 JGEAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000000658596 553737695 /nfs/dbraw/zinc/73/76/95/553737695.db2.gz QCYPKAMZCVJLAK-LZYBPNLTSA-N 0 1 489.269 3.321 50 30 JGEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000001099079 553907235 /nfs/dbraw/zinc/90/72/35/553907235.db2.gz KQVJYYZLSDFXKS-REWPJTCUSA-N 0 1 496.585 3.228 50 30 JGEAMN COc1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC ZINC000002851652 554379584 /nfs/dbraw/zinc/37/95/84/554379584.db2.gz NBZZSWDFUUPJPG-UHFFFAOYSA-N 0 1 473.580 3.235 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000008744076 554647119 /nfs/dbraw/zinc/64/71/19/554647119.db2.gz CNUKQGVHBBQRDA-HOGKFDNTSA-N 0 1 454.523 3.086 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1 ZINC000008779681 554677049 /nfs/dbraw/zinc/67/70/49/554677049.db2.gz MTOYCNYCDMJTHW-HSZRJFAPSA-N 0 1 466.534 3.090 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000008817984 554701185 /nfs/dbraw/zinc/70/11/85/554701185.db2.gz KWFMNBHUFVFMHS-QFIPXVFZSA-N 0 1 486.952 3.268 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008836258 554736273 /nfs/dbraw/zinc/73/62/73/554736273.db2.gz DRUYKVBODUCQAS-QHCPKHFHSA-N 0 1 450.535 3.304 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000008838085 554739314 /nfs/dbraw/zinc/73/93/14/554739314.db2.gz BYMXFAJJNAVMGV-NRFANRHFSA-N 0 1 490.472 3.500 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000008859384 554755787 /nfs/dbraw/zinc/75/57/87/554755787.db2.gz DIXAUGHDOSTKSG-OAQYLSRUSA-N 0 1 474.916 3.398 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1Cl ZINC000008859416 554755998 /nfs/dbraw/zinc/75/59/98/554755998.db2.gz LWIJLVAUBSLLKJ-NRFANRHFSA-N 0 1 456.926 3.259 50 30 JGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000008914979 554808204 /nfs/dbraw/zinc/80/82/04/554808204.db2.gz RUUGEAPVNATYJW-YDJIHCHBSA-N 0 1 487.350 3.204 50 30 JGEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000008914979 554808208 /nfs/dbraw/zinc/80/82/08/554808208.db2.gz RUUGEAPVNATYJW-YDJIHCHBSA-N 0 1 487.350 3.204 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000008926636 554823736 /nfs/dbraw/zinc/82/37/36/554823736.db2.gz GGQQDPLGABITGE-DEOSSOPVSA-N 0 1 480.561 3.313 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000008996396 554856999 /nfs/dbraw/zinc/85/69/99/554856999.db2.gz MIGOLONJMVLOHH-YDJIHCHBSA-N 0 1 474.941 3.349 50 30 JGEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC(C)=O ZINC000009380171 555142133 /nfs/dbraw/zinc/14/21/33/555142133.db2.gz JSRNTVRENDMVGN-FOKLQQMPSA-N 0 1 488.522 3.458 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000009424580 555189216 /nfs/dbraw/zinc/18/92/16/555189216.db2.gz WVBUHONLZDKKQM-IBGZPJMESA-N 0 1 493.497 3.187 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000013427500 555400357 /nfs/dbraw/zinc/40/03/57/555400357.db2.gz UEUDWWLQRDCSSM-QHCPKHFHSA-N 0 1 450.535 3.223 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000013535235 555488365 /nfs/dbraw/zinc/48/83/65/555488365.db2.gz MIGJXAWAHRAIQX-QHCPKHFHSA-N 0 1 466.534 3.004 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000019938436 555556224 /nfs/dbraw/zinc/55/62/24/555556224.db2.gz DPVAZMXKROQIKF-QHCPKHFHSA-N 0 1 462.502 3.352 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000020057831 555621185 /nfs/dbraw/zinc/62/11/85/555621185.db2.gz LNGPZQQNQCJQAV-XMMPIXPASA-N 0 1 480.561 3.395 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000020130975 555656266 /nfs/dbraw/zinc/65/62/66/555656266.db2.gz FTSKMLRLBAPFBQ-FQEVSTJZSA-N 0 1 489.341 3.499 50 30 JGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(O)c1 ZINC000020131425 555656502 /nfs/dbraw/zinc/65/65/02/555656502.db2.gz VLBVOOHPXOMQSD-NRFANRHFSA-N 0 1 456.926 3.346 50 30 JGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1 ZINC000020135380 555659969 /nfs/dbraw/zinc/65/99/69/555659969.db2.gz GJTDBUYJHQCWDY-QHCPKHFHSA-N 0 1 450.535 3.304 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1 ZINC000020135288 555660014 /nfs/dbraw/zinc/66/00/14/555660014.db2.gz QSCRVPQGNCWQDF-XMMPIXPASA-N 0 1 478.545 3.171 50 30 JGEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000020150174 555666397 /nfs/dbraw/zinc/66/63/97/555666397.db2.gz PPDNWCCHHRRQFD-VWLOTQADSA-N 0 1 486.572 3.400 50 30 JGEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC ZINC000020258942 555744370 /nfs/dbraw/zinc/74/43/70/555744370.db2.gz NWAYBMGAUOHTIJ-ZFWWWQNUSA-N 0 1 468.462 3.331 50 30 JGEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC ZINC000020258938 555744461 /nfs/dbraw/zinc/74/44/61/555744461.db2.gz NWAYBMGAUOHTIJ-DZGCQCFKSA-N 0 1 468.462 3.331 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020264035 555746236 /nfs/dbraw/zinc/74/62/36/555746236.db2.gz LOWOFIDOVXEREP-HSZRJFAPSA-N 0 1 450.535 3.386 50 30 JGEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020290574 555761489 /nfs/dbraw/zinc/76/14/89/555761489.db2.gz HIILHQMBVJTNHA-VWLOTQADSA-N 0 1 492.572 3.492 50 30 JGEAMN Cc1cc(O)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000020309871 555767654 /nfs/dbraw/zinc/76/76/54/555767654.db2.gz SBPNKFIEFWSXSY-JOCHJYFZSA-N 0 1 454.498 3.059 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(O)c1 ZINC000020310236 555768349 /nfs/dbraw/zinc/76/83/49/555768349.db2.gz ZCANMSPUKZJIPY-QHCPKHFHSA-N 0 1 466.534 3.010 50 30 JGEAMN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2[O-])[C@H]1c1ccc(C(=O)OC)cc1 ZINC000020310573 555769174 /nfs/dbraw/zinc/76/91/74/555769174.db2.gz VPNHAZOKQQSTRR-JOCHJYFZSA-N 0 1 466.534 3.407 50 30 JGEAMN COc1ccc(NS(=O)(=O)c2ccc(Cc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c(OC)c1 ZINC000015860625 556031748 /nfs/dbraw/zinc/03/17/48/556031748.db2.gz REWVQFDXUXUEHG-UHFFFAOYSA-N 0 1 453.520 3.272 50 30 JGEAMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012804316 556114542 /nfs/dbraw/zinc/11/45/42/556114542.db2.gz UVRZOCXGWBJRNU-UHFFFAOYSA-N 0 1 456.616 3.032 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016805767 556162061 /nfs/dbraw/zinc/16/20/61/556162061.db2.gz FWHYIAOPKPZYQL-NRFANRHFSA-N 0 1 451.475 3.263 50 30 JGEAMN COc1ccc(CCN(C)CC(=O)N(C)[C@@](C)(C#N)c2ccc(OC)c(OC)c2)cc1OC ZINC000025560851 556221524 /nfs/dbraw/zinc/22/15/24/556221524.db2.gz FYWWSGJTIMIHRV-VWLOTQADSA-N 0 1 455.555 3.093 50 30 JGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000017145836 556225978 /nfs/dbraw/zinc/22/59/78/556225978.db2.gz RXZVIOIPJZMZGL-XMMPIXPASA-N 0 1 490.560 3.338 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000017162544 556229679 /nfs/dbraw/zinc/22/96/79/556229679.db2.gz JQXMMGSXNSTQMI-FQEVSTJZSA-N 0 1 492.981 3.205 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000017160705 556229740 /nfs/dbraw/zinc/22/97/40/556229740.db2.gz WHZBPDIUVNFPGR-JOCHJYFZSA-N 0 1 454.498 3.053 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017180560 556234620 /nfs/dbraw/zinc/23/46/20/556234620.db2.gz QNRATWNBNFUAQD-QFIPXVFZSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000013102858 556304201 /nfs/dbraw/zinc/30/42/01/556304201.db2.gz XJCRODNHSNZUMG-LJQANCHMSA-N 0 1 489.509 3.290 50 30 JGEAMN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000013102858 556304203 /nfs/dbraw/zinc/30/42/03/556304203.db2.gz XJCRODNHSNZUMG-LJQANCHMSA-N 0 1 489.509 3.290 50 30 JGEAMN COc1cccc([C@H](CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)N(C)C)c1 ZINC000028840870 556342490 /nfs/dbraw/zinc/34/24/90/556342490.db2.gz QDFMGUHPUCGMDE-NRFANRHFSA-N 0 1 463.538 3.450 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000013127248 556343084 /nfs/dbraw/zinc/34/30/84/556343084.db2.gz ZSFNZWLBWIWGQV-JOCHJYFZSA-N 0 1 454.523 3.330 50 30 JGEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061715015 563209630 /nfs/dbraw/zinc/20/96/30/563209630.db2.gz SGMZDYQNFLEUME-HXUWFJFHSA-N 0 1 486.576 3.204 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000008441398 569590406 /nfs/dbraw/zinc/59/04/06/569590406.db2.gz VOWKUCQUORMZSR-PIFXAOAFSA-N 0 1 465.502 3.482 50 30 JGEAMN 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COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000009359163 523552109 /nfs/dbraw/zinc/55/21/09/523552109.db2.gz DYBCSNJBFBFRCF-DEOSSOPVSA-N 0 1 496.560 3.018 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000012467665 523554761 /nfs/dbraw/zinc/55/47/61/523554761.db2.gz JIUFUTDRZCZYSC-QFIPXVFZSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009042805 523557324 /nfs/dbraw/zinc/55/73/24/523557324.db2.gz DYVHHNWCBGWTHT-QFIPXVFZSA-N 0 1 454.523 3.161 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC)c(OC)c1 ZINC000004019568 523795436 /nfs/dbraw/zinc/79/54/36/523795436.db2.gz GLMBDLGBVUWOSA-JLCFBVMHSA-N 0 1 453.491 3.252 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccco2)[C@H]1c1ccc(I)cc1 ZINC000009272500 523797097 /nfs/dbraw/zinc/79/70/97/523797097.db2.gz FGYZJWVZPSWEII-OAHLLOKOSA-N 0 1 453.232 3.109 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C ZINC000020357368 524020861 /nfs/dbraw/zinc/02/08/61/524020861.db2.gz VSSKYUCKZKZCHN-QHCPKHFHSA-N 0 1 495.576 3.027 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009070728 524021474 /nfs/dbraw/zinc/02/14/74/524021474.db2.gz XWWRQXYFDNSLPK-LJQANCHMSA-N 0 1 459.930 3.211 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009070728 524021478 /nfs/dbraw/zinc/02/14/78/524021478.db2.gz XWWRQXYFDNSLPK-LJQANCHMSA-N 0 1 459.930 3.211 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009069697 524169673 /nfs/dbraw/zinc/16/96/73/524169673.db2.gz BXXGCUSPRHDEEB-AYWGPLOBSA-N 0 1 492.528 3.204 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000015884982 524170342 /nfs/dbraw/zinc/17/03/42/524170342.db2.gz QAURHDCVKBYEMQ-GCJKJVERSA-N 0 1 451.475 3.224 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000009042704 525387889 /nfs/dbraw/zinc/38/78/89/525387889.db2.gz NQCFJOOLXISKSZ-QFIPXVFZSA-N 0 1 478.549 3.108 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015837122 525389191 /nfs/dbraw/zinc/38/91/91/525389191.db2.gz CHFYSDSENHMCQP-CJAUYULYSA-N 0 1 492.572 3.319 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009274139 525392776 /nfs/dbraw/zinc/39/27/76/525392776.db2.gz XKSWQIDORWWUAZ-QHCPKHFHSA-N 0 1 460.534 3.329 50 30 JGEAMN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000102682019 535526143 /nfs/dbraw/zinc/52/61/43/535526143.db2.gz PWKRKWCPNVUDQB-RTWAWAEBSA-N 0 1 471.561 3.375 50 30 JGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000102857915 535688593 /nfs/dbraw/zinc/68/85/93/535688593.db2.gz ZXNIIEKYCMLKEY-LCOUTEJOSA-N 0 1 453.491 3.400 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000102504159 536566468 /nfs/dbraw/zinc/56/64/68/536566468.db2.gz MRBYJLVCGDEZFY-HOGKFDNTSA-N 0 1 486.952 3.111 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000008779127 554676024 /nfs/dbraw/zinc/67/60/24/554676024.db2.gz RJZUURLNHOKYIR-XMMPIXPASA-N 0 1 496.560 3.099 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008818111 554701413 /nfs/dbraw/zinc/70/14/13/554701413.db2.gz BIBUIHLYQNZELD-DEOSSOPVSA-N 0 1 480.561 3.395 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000008826816 554716842 /nfs/dbraw/zinc/71/68/42/554716842.db2.gz OHBIMQDSYDJRAC-OAQYLSRUSA-N 0 1 474.916 3.398 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008859281 554755831 /nfs/dbraw/zinc/75/58/31/554755831.db2.gz PUMKWJWLTGGGLW-DEOSSOPVSA-N 0 1 478.545 3.171 50 30 JGEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000008893243 554781869 /nfs/dbraw/zinc/78/18/69/554781869.db2.gz HBTHQDOHGRGXOD-JOCHJYFZSA-N 0 1 450.466 3.482 50 30 JGEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000008893290 554781886 /nfs/dbraw/zinc/78/18/86/554781886.db2.gz RICGUXKBLIVMDV-QFIPXVFZSA-N 0 1 450.466 3.482 50 30 JGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008895431 554785129 /nfs/dbraw/zinc/78/51/29/554785129.db2.gz DJDHGLPMARJXIP-DEOSSOPVSA-N 0 1 478.545 3.067 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008896460 554786137 /nfs/dbraw/zinc/78/61/37/554786137.db2.gz UBCPVLRXFWHVFR-HOGKFDNTSA-N 0 1 470.953 3.493 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008896797 554786862 /nfs/dbraw/zinc/78/68/62/554786862.db2.gz NEGZWJUITQZGGU-JOCHJYFZSA-N 0 1 454.523 3.242 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(C)c1OC ZINC000008897686 554787975 /nfs/dbraw/zinc/78/79/75/554787975.db2.gz FJUNTBHFVORGFY-QFIPXVFZSA-N 0 1 484.524 3.062 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008926819 554824243 /nfs/dbraw/zinc/82/42/43/554824243.db2.gz RVUCVSQYHYLLMA-DEOSSOPVSA-N 0 1 479.577 3.062 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000008996397 554856883 /nfs/dbraw/zinc/85/68/83/554856883.db2.gz MIGOLONJMVLOHH-NHFXJNLRSA-N 0 1 474.941 3.349 50 30 JGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009007973 554861902 /nfs/dbraw/zinc/86/19/02/554861902.db2.gz DSETWFAQDSHDDQ-MOBKVPTQSA-N 0 1 450.491 3.433 50 30 JGEAMN N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000013145705 555343247 /nfs/dbraw/zinc/34/32/47/555343247.db2.gz LAGWSNSYPKBCJM-IBGZPJMESA-N 0 1 471.535 3.460 50 30 JGEAMN N#CC(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000013145705 555343249 /nfs/dbraw/zinc/34/32/49/555343249.db2.gz LAGWSNSYPKBCJM-IBGZPJMESA-N 0 1 471.535 3.460 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000013427134 555399954 /nfs/dbraw/zinc/39/99/54/555399954.db2.gz AAACZVOGYDEDSC-DEOSSOPVSA-N 0 1 480.561 3.313 50 30 JGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000013427520 555400558 /nfs/dbraw/zinc/40/05/58/555400558.db2.gz UQDCTCSRJNWLPG-XMMPIXPASA-N 0 1 496.560 3.018 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000013569109 555507573 /nfs/dbraw/zinc/50/75/73/555507573.db2.gz JSCGIQSDFKGWRP-QHCPKHFHSA-N 0 1 497.617 3.001 50 30 JGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(Br)c1 ZINC000019880084 555525078 /nfs/dbraw/zinc/52/50/78/555525078.db2.gz ACFQFIVZXSGQFW-LJQANCHMSA-N 0 1 473.323 3.318 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019883185 555527629 /nfs/dbraw/zinc/52/76/29/555527629.db2.gz IDBYJMWHSYUCDA-FQEVSTJZSA-N 0 1 489.341 3.499 50 30 JGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019911364 555537811 /nfs/dbraw/zinc/53/78/11/555537811.db2.gz HPWWRKBBEDCROG-HSZRJFAPSA-N 0 1 464.518 3.163 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000019911902 555538071 /nfs/dbraw/zinc/53/80/71/555538071.db2.gz KQXPLHXBSWAPAE-JOCHJYFZSA-N 0 1 454.498 3.135 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020057621 555620700 /nfs/dbraw/zinc/62/07/00/555620700.db2.gz LKWFOQQPTXVCDQ-DEOSSOPVSA-N 0 1 480.561 3.395 50 30 JGEAMN CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000013801082 555621390 /nfs/dbraw/zinc/62/13/90/555621390.db2.gz RWAMXJPICQCGHZ-NRFANRHFSA-N 0 1 487.560 3.341 50 30 JGEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020066003 555625594 /nfs/dbraw/zinc/62/55/94/555625594.db2.gz MHNYXFXYWYSLTK-QHCPKHFHSA-N 0 1 450.535 3.168 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000020082988 555630938 /nfs/dbraw/zinc/63/09/38/555630938.db2.gz HNHNPZVHCRSIBZ-HXUWFJFHSA-N 0 1 487.350 3.065 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020193097 555694352 /nfs/dbraw/zinc/69/43/52/555694352.db2.gz WMGVVAMKOCDUQY-JOCHJYFZSA-N 0 1 483.565 3.347 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020193097 555694354 /nfs/dbraw/zinc/69/43/54/555694354.db2.gz WMGVVAMKOCDUQY-JOCHJYFZSA-N 0 1 483.565 3.347 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020219545 555714798 /nfs/dbraw/zinc/71/47/98/555714798.db2.gz AHTITCOJLRXJKF-QFIPXVFZSA-N 0 1 462.550 3.490 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020219825 555716141 /nfs/dbraw/zinc/71/61/41/555716141.db2.gz BHTVAMKDMOYLDU-QHCPKHFHSA-N 0 1 492.528 3.361 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020219824 555716198 /nfs/dbraw/zinc/71/61/98/555716198.db2.gz YCHWZDSWZIWABS-HSZRJFAPSA-N 0 1 492.528 3.361 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020229106 555719859 /nfs/dbraw/zinc/71/98/59/555719859.db2.gz MTNCHMVOXIZPAQ-HSZRJFAPSA-N 0 1 466.534 3.387 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020234288 555725905 /nfs/dbraw/zinc/72/59/05/555725905.db2.gz BXYSJOUTSKZXFD-QFIPXVFZSA-N 0 1 454.523 3.242 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1 ZINC000020267696 555749017 /nfs/dbraw/zinc/74/90/17/555749017.db2.gz DXBCACJXGFVHHC-QHCPKHFHSA-N 0 1 498.963 3.412 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC000020309409 555766543 /nfs/dbraw/zinc/76/65/43/555766543.db2.gz GQTHEZVBYZBJDL-JOCHJYFZSA-N 0 1 486.952 3.355 50 30 JGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccccc3)ccc2O1 ZINC000024146848 556123408 /nfs/dbraw/zinc/12/34/08/556123408.db2.gz RYEFXAUORFLGBZ-UUOWRZLLSA-N 0 1 462.546 3.311 50 30 JGEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCN(C)C ZINC000024147427 556123746 /nfs/dbraw/zinc/12/37/46/556123746.db2.gz VWGRFKDJHLXOMI-MHZLTWQESA-N 0 1 477.561 3.136 50 30 JGEAMN COc1ccccc1[C@@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCN(C)C ZINC000016945442 556182833 /nfs/dbraw/zinc/18/28/33/556182833.db2.gz LZOPWGVBULFLJB-HSZRJFAPSA-N 0 1 460.534 3.329 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000016946151 556183246 /nfs/dbraw/zinc/18/32/46/556183246.db2.gz HCFQANOUNFNAJJ-XMMPIXPASA-N 0 1 490.560 3.338 50 30 JGEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O ZINC000017167297 556230422 /nfs/dbraw/zinc/23/04/22/556230422.db2.gz FCXAHKJGOQUZIQ-QHYAIYAISA-N 0 1 480.362 3.365 50 30 JGEAMN COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000057063738 563206515 /nfs/dbraw/zinc/20/65/15/563206515.db2.gz ISBKJDDIANGRKM-TZIWHRDSSA-N 0 1 459.550 3.137 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000008441400 569590427 /nfs/dbraw/zinc/59/04/27/569590427.db2.gz VOWKUCQUORMZSR-ZPBXOSQXSA-N 0 1 465.502 3.482 50 30 JGEAMN CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S ZINC000034871754 569668453 /nfs/dbraw/zinc/66/84/53/569668453.db2.gz BBPSQKZLVSQGFN-HMMYKYKNSA-N 0 1 487.695 3.489 50 30 JGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000085412769 569710602 /nfs/dbraw/zinc/71/06/02/569710602.db2.gz SKEUWMGUBBMTKC-AVRDEDQJSA-N 0 1 483.517 3.478 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000085412844 569710605 /nfs/dbraw/zinc/71/06/05/569710605.db2.gz IOQKCPZHNVDIGF-ZHRRBRCNSA-N 0 1 497.500 3.198 50 30 JGEAMN CCOc1cc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095393726 569723086 /nfs/dbraw/zinc/72/30/86/569723086.db2.gz RKLJFTMXRLCRAG-VFNWGFHPSA-N 0 1 472.494 3.389 50 30 biogenic JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2C[C@H]2CCCO2)cc2c1OCO2 ZINC000096335841 569740209 /nfs/dbraw/zinc/74/02/09/569740209.db2.gz GVYXHCVXGVTVNG-OPAMFIHVSA-N 0 1 497.500 3.198 50 30 JGEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OC)c(CN2CCOCC2)c1 ZINC000036612382 569777827 /nfs/dbraw/zinc/77/78/27/569777827.db2.gz ISXBDQLMGHJKRD-DEOSSOPVSA-N 0 1 478.545 3.300 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000101287523 569789443 /nfs/dbraw/zinc/78/94/43/569789443.db2.gz NHKDVRSHUWMCMC-NXLSWJSLSA-N 0 1 478.545 3.101 50 30 JGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313579 569792169 /nfs/dbraw/zinc/79/21/69/569792169.db2.gz PYSMPPRKEOFMIO-NPJIAGGLSA-N 0 1 492.572 3.404 50 30 JGEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000101760463 569803630 /nfs/dbraw/zinc/80/36/30/569803630.db2.gz DDTYHODJDNMKSC-MRJHHRETSA-N 0 1 468.506 3.323 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000102857318 569824477 /nfs/dbraw/zinc/82/44/77/569824477.db2.gz RCDRZEKPDFQYNA-HOGKFDNTSA-N 0 1 454.523 3.004 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000102857314 569824606 /nfs/dbraw/zinc/82/46/06/569824606.db2.gz RCDRZEKPDFQYNA-MOBKVPTQSA-N 0 1 454.523 3.004 50 30 JGEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000102859560 569824746 /nfs/dbraw/zinc/82/47/46/569824746.db2.gz WNILWICNZTZIEW-NXLSWJSLSA-N 0 1 490.535 3.074 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102872808 569826023 /nfs/dbraw/zinc/82/60/23/569826023.db2.gz MCWZVNUCXYDGKT-NXLSWJSLSA-N 0 1 488.496 3.492 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873104 569826050 /nfs/dbraw/zinc/82/60/50/569826050.db2.gz VZDYFKQEDMIKQM-HOLWXTBYSA-N 0 1 453.491 3.313 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000103926503 569839457 /nfs/dbraw/zinc/83/94/57/569839457.db2.gz UPLMJIXLIALZCW-HOGKFDNTSA-N 0 1 454.523 3.004 50 30 JGEAMN C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C ZINC000105004255 569849681 /nfs/dbraw/zinc/84/96/81/569849681.db2.gz ZAMGELGGVNXPMM-QPPBQGQZSA-N 0 1 470.635 3.282 50 30 JGEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217609333 569880573 /nfs/dbraw/zinc/88/05/73/569880573.db2.gz LJQKSAIRVJCXHL-POTDMOMCSA-N 0 1 475.614 3.331 50 30 JGEAMN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000252616649 570086674 /nfs/dbraw/zinc/08/66/74/570086674.db2.gz KCUDZKPOFHIEIZ-IBGZPJMESA-N 0 1 493.501 3.325 50 30 JGEAMN COc1cccc(CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c1OC ZINC000253397557 570096109 /nfs/dbraw/zinc/09/61/09/570096109.db2.gz BMMJICBWQRGTLI-OEJOPCPASA-N 0 1 493.512 3.376 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3cccs3)C1=O)O2 ZINC000253402722 570096667 /nfs/dbraw/zinc/09/66/67/570096667.db2.gz GQFXKPAWCDBPCF-JYFCICGUSA-N 0 1 453.516 3.462 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCn3cnc4ccccc43)C1=O)O2 ZINC000253411703 570097669 /nfs/dbraw/zinc/09/76/69/570097669.db2.gz OZCJESFGYVCRDH-LZNHGYHVSA-N 0 1 487.512 3.208 50 30 JGEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCN(C)C ZINC000102867295 535004450 /nfs/dbraw/zinc/00/44/50/535004450.db2.gz MVAAGKDYUFMJMU-FSLHIAPTSA-N 0 1 473.529 3.327 50 30 JGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000102491735 130145750 /nfs/dbraw/zinc/14/57/50/130145750.db2.gz XSVVSDIMYJEWQF-ASBZNUFUSA-N 0 1 483.366 3.389 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102495664 130149674 /nfs/dbraw/zinc/14/96/74/130149674.db2.gz XYXCWESHUAINND-AYWGPLOBSA-N 0 1 495.532 3.138 50 30 JGEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000102500195 130153923 /nfs/dbraw/zinc/15/39/23/130153923.db2.gz YCIQMJYMBMAHGG-MOBKVPTQSA-N 0 1 475.505 3.072 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102533670 130187360 /nfs/dbraw/zinc/18/73/60/130187360.db2.gz KDCIXVNMJKBQCD-ASBZNUFUSA-N 0 1 473.957 3.445 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102535094 130189720 /nfs/dbraw/zinc/18/97/20/130189720.db2.gz AIOUCPAKLXVZIR-AYWGPLOBSA-N 0 1 468.550 3.476 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102537354 130192183 /nfs/dbraw/zinc/19/21/83/130192183.db2.gz WABLODKKRBYMJW-NXLSWJSLSA-N 0 1 480.561 3.238 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102697146 130243478 /nfs/dbraw/zinc/24/34/78/130243478.db2.gz LZZMAVFOKYCRTN-ZHHPLPSFSA-N 0 1 498.576 3.483 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102726560 130271247 /nfs/dbraw/zinc/27/12/47/130271247.db2.gz XDLRVNIPLXSKME-ZHHPLPSFSA-N 0 1 466.534 3.230 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102729217 130273517 /nfs/dbraw/zinc/27/35/17/130273517.db2.gz XCGSSANRQXPABL-AYWGPLOBSA-N 0 1 450.535 3.148 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102735631 130280125 /nfs/dbraw/zinc/28/01/25/130280125.db2.gz ZYDWDMCLUTWKKR-JBCNATCCSA-N 0 1 456.926 3.103 50 30 JGEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102739779 130284651 /nfs/dbraw/zinc/28/46/51/130284651.db2.gz DUGPHTMDQAAJBL-SELCWUDQSA-N 0 1 451.354 3.327 50 30 JGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102771167 130295828 /nfs/dbraw/zinc/29/58/28/130295828.db2.gz OXIGEPBXAJQPFB-KZVIGXRYSA-N 0 1 459.502 3.424 50 30 JGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771244 130295887 /nfs/dbraw/zinc/29/58/87/130295887.db2.gz JDFNQGCYCZTYEJ-XTNNDJGYSA-N 0 1 482.964 3.417 50 30 JGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771247 130296173 /nfs/dbraw/zinc/29/61/73/130296173.db2.gz JDFNQGCYCZTYEJ-LEQIOXTRSA-N 0 1 482.964 3.417 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102864658 130336610 /nfs/dbraw/zinc/33/66/10/130336610.db2.gz HTKKIMJHWVYYKI-XGALWYBDSA-N 0 1 451.475 3.083 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102889084 130370336 /nfs/dbraw/zinc/37/03/36/130370336.db2.gz PNTYRMMYEOGOEF-MOBKVPTQSA-N 0 1 475.453 3.459 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102889082 130370419 /nfs/dbraw/zinc/37/04/19/130370419.db2.gz PNTYRMMYEOGOEF-HOGKFDNTSA-N 0 1 475.453 3.459 50 30 JGEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102892206 130374104 /nfs/dbraw/zinc/37/41/04/130374104.db2.gz HNVMUFRCZYONCS-IUKMQXEJSA-N 0 1 492.572 3.335 50 30 JGEAMN C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C1CC1 ZINC000036309481 518296858 /nfs/dbraw/zinc/29/68/58/518296858.db2.gz SYXUAWAYZRJXFY-XUZZJYLKSA-N 0 1 468.619 3.036 50 30 JGEAMN C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1 ZINC000036309124 518298288 /nfs/dbraw/zinc/29/82/88/518298288.db2.gz DIQGBFQZMLIWAW-URXFXBBRSA-N 0 1 468.619 3.036 50 30 JGEAMN C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305341 518299284 /nfs/dbraw/zinc/29/92/84/518299284.db2.gz VKLGCWVPOQJVGT-QFIPXVFZSA-N 0 1 479.577 3.347 50 30 JGEAMN C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305344 518308857 /nfs/dbraw/zinc/30/88/57/518308857.db2.gz VKLGCWVPOQJVGT-JOCHJYFZSA-N 0 1 479.577 3.347 50 30 JGEAMN C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036306962 518309168 /nfs/dbraw/zinc/30/91/68/518309168.db2.gz GQOCBWWCLLCNJA-JOCHJYFZSA-N 0 1 467.541 3.478 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009068855 519010781 /nfs/dbraw/zinc/01/07/81/519010781.db2.gz IRLARGRRQXVVNK-IUKMQXEJSA-N 0 1 492.572 3.404 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994426 519020209 /nfs/dbraw/zinc/02/02/09/519020209.db2.gz QWORQHUWGGTCDD-VWLOTQADSA-N 0 1 492.572 3.479 50 30 JGEAMN CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1=O ZINC000012151087 519338258 /nfs/dbraw/zinc/33/82/58/519338258.db2.gz JZVJFCAYLOOUSF-NDEPHWFRSA-N 0 1 487.604 3.476 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000009066646 520431177 /nfs/dbraw/zinc/43/11/77/520431177.db2.gz ROANBXKGUDRDOW-AYWGPLOBSA-N 0 1 468.550 3.476 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009357777 520431270 /nfs/dbraw/zinc/43/12/70/520431270.db2.gz BSWXHDYTEYTDQV-AYWGPLOBSA-N 0 1 466.534 3.230 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c1 ZINC000009350080 520467575 /nfs/dbraw/zinc/46/75/75/520467575.db2.gz VOPZRPDYRKLRMT-JOCHJYFZSA-N 0 1 453.491 3.471 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009471274 520878193 /nfs/dbraw/zinc/87/81/93/520878193.db2.gz NROLPOFTAQMTTA-JOCHJYFZSA-N 0 1 455.507 3.071 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000009008370 521233058 /nfs/dbraw/zinc/23/30/58/521233058.db2.gz ODMMCMVBVPTEOP-SBXHHDGASA-N 0 1 480.561 3.238 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009123703 521233281 /nfs/dbraw/zinc/23/32/81/521233281.db2.gz VBKGBXNRCYXFBI-SBXHHDGASA-N 0 1 498.551 3.377 50 30 JGEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009312639 521413326 /nfs/dbraw/zinc/41/33/26/521413326.db2.gz DLIRVDFHEJHZDW-CRJQIMHWSA-N 0 1 492.572 3.163 50 30 JGEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837295 521413562 /nfs/dbraw/zinc/41/35/62/521413562.db2.gz ASYSBCLHINLHQD-IQGLISFBSA-N 0 1 492.572 3.319 50 30 JGEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009244299 521414762 /nfs/dbraw/zinc/41/47/62/521414762.db2.gz XVMODKPDUQNFEA-LEQIOXTRSA-N 0 1 450.535 3.392 50 30 JGEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837291 521422273 /nfs/dbraw/zinc/42/22/73/521422273.db2.gz ASYSBCLHINLHQD-CJAUYULYSA-N 0 1 492.572 3.319 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009425246 522161837 /nfs/dbraw/zinc/16/18/37/522161837.db2.gz UIAWYHVCJNGOJT-HSZRJFAPSA-N 0 1 486.480 3.418 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009019920 523560880 /nfs/dbraw/zinc/56/08/80/523560880.db2.gz OTZFIRFRTQQBIM-HSZRJFAPSA-N 0 1 450.535 3.223 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2F)cc1 ZINC000022185116 523564412 /nfs/dbraw/zinc/56/44/12/523564412.db2.gz PDXKVWDNEQBJJW-NRFANRHFSA-N 0 1 482.489 3.265 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000016737395 523573166 /nfs/dbraw/zinc/57/31/66/523573166.db2.gz LPZXDIOQJZCGRU-LJQANCHMSA-N 0 1 483.502 3.361 50 30 JGEAMN CCc1cc(Br)ccc1NC(=O)CC1C(=O)N2CCNC2=C1C(=O)c1ccccc1 ZINC000009254147 523745005 /nfs/dbraw/zinc/74/50/05/523745005.db2.gz KRGIGMUAYRTBLS-QGZVFWFLSA-N 0 1 468.351 3.496 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(I)cc1 ZINC000009370785 523791593 /nfs/dbraw/zinc/79/15/93/523791593.db2.gz GXTQFXXNKNYZKD-MRXNPFEDSA-N 0 1 467.259 3.417 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015884978 524171789 /nfs/dbraw/zinc/17/17/89/524171789.db2.gz QAURHDCVKBYEMQ-AVRDEDQJSA-N 0 1 451.475 3.224 50 30 JGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009237132 524908079 /nfs/dbraw/zinc/90/80/79/524908079.db2.gz AZDFXIPFTYHFRM-MOBKVPTQSA-N 0 1 480.517 3.442 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000009042706 525217714 /nfs/dbraw/zinc/21/77/14/525217714.db2.gz NQCFJOOLXISKSZ-JOCHJYFZSA-N 0 1 478.549 3.108 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015837118 525222856 /nfs/dbraw/zinc/22/28/56/525222856.db2.gz CHFYSDSENHMCQP-AVRWGWEMSA-N 0 1 492.572 3.319 50 30 JGEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(OC)c(O)c([N+](=O)[O-])c3)C2)cc1OC ZINC000018198486 525399432 /nfs/dbraw/zinc/39/94/32/525399432.db2.gz RKHKEEDXXZFWEG-MCMMXHMISA-N 0 1 493.476 3.333 50 30 JGEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000009186816 525553286 /nfs/dbraw/zinc/55/32/86/525553286.db2.gz JSYONGGTTDKCII-JOCHJYFZSA-N 0 1 475.505 3.229 50 30 JGEAMN Cn1c2nc(NN=Cc3ccccc3Cl)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000033609663 527121518 /nfs/dbraw/zinc/12/15/18/527121518.db2.gz JBECQDNILKTOEA-MYKKPKGFSA-N 0 1 457.321 3.235 50 30 JGEAMN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1 ZINC000102689065 535525581 /nfs/dbraw/zinc/52/55/81/535525581.db2.gz IUMXMQSPIMHHAM-UXHICEINSA-N 0 1 457.534 3.333 50 30 aggregator JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102498879 536103257 /nfs/dbraw/zinc/10/32/57/536103257.db2.gz RRXWNTJFDBYUDZ-MOBKVPTQSA-N 0 1 495.532 3.093 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 ZINC000102886409 536103293 /nfs/dbraw/zinc/10/32/93/536103293.db2.gz HFBFLTPDMURBHK-NHFXJNLRSA-N 0 1 483.571 3.015 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000102864762 536563240 /nfs/dbraw/zinc/56/32/40/536563240.db2.gz PFKCYNKHWQPCEC-SBXHHDGASA-N 0 1 464.562 3.456 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000102925746 536563340 /nfs/dbraw/zinc/56/33/40/536563340.db2.gz SNDGNSKURRRQCY-ZHHPLPSFSA-N 0 1 450.535 3.148 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000102489455 536563570 /nfs/dbraw/zinc/56/35/70/536563570.db2.gz WYISUSLNFNLYIW-AYWGPLOBSA-N 0 1 468.525 3.287 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102489892 536565735 /nfs/dbraw/zinc/56/57/35/536565735.db2.gz DIDCZTARXJCJRQ-JBCNATCCSA-N 0 1 474.916 3.242 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102804281 536565978 /nfs/dbraw/zinc/56/59/78/536565978.db2.gz SJSNKWNQEXHCCO-ZHHPLPSFSA-N 0 1 460.534 3.470 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(I)cc1 ZINC000102883110 536852880 /nfs/dbraw/zinc/85/28/80/536852880.db2.gz ZRTJSSPKRQJDGE-IBOXJLQUSA-N 0 1 467.259 3.261 50 30 JGEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000000703246 553762490 /nfs/dbraw/zinc/76/24/90/553762490.db2.gz FIZBSBSDEQNQPS-BVZFJXPGSA-N 0 1 476.573 3.483 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000000720811 553772509 /nfs/dbraw/zinc/77/25/09/553772509.db2.gz QREWKXHMCOBCAU-JOCHJYFZSA-N 0 1 463.490 3.275 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000006499081 554546979 /nfs/dbraw/zinc/54/69/79/554546979.db2.gz LWFOGUPIRQGHOX-DEOSSOPVSA-N 0 1 462.546 3.470 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000008384659 554567833 /nfs/dbraw/zinc/56/78/33/554567833.db2.gz GGNXWZUILSIZFC-QHCPKHFHSA-N 0 1 466.534 3.090 50 30 JGEAMN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1 ZINC000008386622 554569594 /nfs/dbraw/zinc/56/95/94/554569594.db2.gz ZPIJHHSIECXQQV-MFKUBSTISA-N 0 1 483.960 3.213 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000008437172 554588182 /nfs/dbraw/zinc/58/81/82/554588182.db2.gz OJUHDYXRWBFBRY-HXUWFJFHSA-N 0 1 471.351 3.360 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008779426 554676829 /nfs/dbraw/zinc/67/68/29/554676829.db2.gz IFSVTLYIXKTIKL-QHCPKHFHSA-N 0 1 450.535 3.304 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1C ZINC000008817267 554699882 /nfs/dbraw/zinc/69/98/82/554699882.db2.gz TXOJHFCJONQUGE-QHCPKHFHSA-N 0 1 495.576 3.109 50 30 JGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000008827182 554717139 /nfs/dbraw/zinc/71/71/39/554717139.db2.gz MHNYTUDMLIHXLC-JOCHJYFZSA-N 0 1 478.524 3.001 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000008827254 554717300 /nfs/dbraw/zinc/71/73/00/554717300.db2.gz LVLPBEZCNHYLAE-OAQYLSRUSA-N 0 1 490.472 3.500 50 30 JGEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000008835971 554735384 /nfs/dbraw/zinc/73/53/84/554735384.db2.gz VQDKJACQEPDGPI-SELCWUDQSA-N 0 1 477.380 3.265 50 30 JGEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 ZINC000008835844 554735401 /nfs/dbraw/zinc/73/54/01/554735401.db2.gz LHSUXBUDFOZBEH-NRFANRHFSA-N 0 1 466.563 3.005 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000008837237 554737885 /nfs/dbraw/zinc/73/78/85/554737885.db2.gz OAHCAMUQWUQXNT-HOGKFDNTSA-N 0 1 450.491 3.433 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008837941 554739092 /nfs/dbraw/zinc/73/90/92/554739092.db2.gz PELSJPICBHZYFW-ZHHPLPSFSA-N 0 1 462.502 3.195 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c1C ZINC000008838072 554739367 /nfs/dbraw/zinc/73/93/67/554739367.db2.gz UWPKQVYAHSEIBS-FQEVSTJZSA-N 0 1 457.502 3.087 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000008858473 554755635 /nfs/dbraw/zinc/75/56/35/554755635.db2.gz RHGMYONXGRLOON-NRFANRHFSA-N 0 1 456.564 3.447 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000008896939 554787003 /nfs/dbraw/zinc/78/70/03/554787003.db2.gz OVPUXIKEGQVZDD-QHCPKHFHSA-N 0 1 498.963 3.412 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000008926651 554823634 /nfs/dbraw/zinc/82/36/34/554823634.db2.gz AIVFHACDUIMIDL-HSZRJFAPSA-N 0 1 468.525 3.443 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000008926654 554823685 /nfs/dbraw/zinc/82/36/85/554823685.db2.gz SOCWPSCVYLWQAW-RUZDIDTESA-N 0 1 493.604 3.370 50 30 JGEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)ccc1OCC(C)C ZINC000008926739 554824086 /nfs/dbraw/zinc/82/40/86/554824086.db2.gz CNVUJTIECRUBBR-XMMPIXPASA-N 0 1 479.577 3.335 50 30 JGEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)ccc1OCC(C)C ZINC000008926890 554824257 /nfs/dbraw/zinc/82/42/57/554824257.db2.gz YQEVUANAAFXQNF-DEOSSOPVSA-N 0 1 479.577 3.335 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000008926841 554824360 /nfs/dbraw/zinc/82/43/60/554824360.db2.gz KBFJEZTYTRJZLN-DEOSSOPVSA-N 0 1 462.546 3.470 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008996212 554856526 /nfs/dbraw/zinc/85/65/26/554856526.db2.gz LUOVWBICZIISIC-DEOSSOPVSA-N 0 1 480.561 3.393 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009007501 554860597 /nfs/dbraw/zinc/86/05/97/554860597.db2.gz MDAHUTJIQQVVKZ-IAMBOQNYSA-N 0 1 462.550 3.333 50 30 JGEAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccccc3C#N)ccc2OC)cc1 ZINC000009130231 554929274 /nfs/dbraw/zinc/92/92/74/554929274.db2.gz DGSMULVYBWXWDJ-UHFFFAOYSA-N 0 1 467.503 3.394 50 30 JGEAMN N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000013145706 555343137 /nfs/dbraw/zinc/34/31/37/555343137.db2.gz LAGWSNSYPKBCJM-LJQANCHMSA-N 0 1 471.535 3.460 50 30 JGEAMN N#CC(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000013145706 555343141 /nfs/dbraw/zinc/34/31/41/555343141.db2.gz LAGWSNSYPKBCJM-LJQANCHMSA-N 0 1 471.535 3.460 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000013427132 555399821 /nfs/dbraw/zinc/39/98/21/555399821.db2.gz AAACZVOGYDEDSC-XMMPIXPASA-N 0 1 480.561 3.313 50 30 JGEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000019883054 555527719 /nfs/dbraw/zinc/52/77/19/555527719.db2.gz DGLNDXQHWOYCCF-SFHVURJKSA-N 0 1 477.380 3.421 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000019929371 555546575 /nfs/dbraw/zinc/54/65/75/555546575.db2.gz YVAIAENQMJEDKZ-OAQYLSRUSA-N 0 1 454.523 3.161 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000020065574 555625114 /nfs/dbraw/zinc/62/51/14/555625114.db2.gz HOVIPQCFNPCYPE-QFIPXVFZSA-N 0 1 486.952 3.268 50 30 JGEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020065693 555625299 /nfs/dbraw/zinc/62/52/99/555625299.db2.gz METWAADUAGFEBK-DEOSSOPVSA-N 0 1 464.562 3.477 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000020135181 555659703 /nfs/dbraw/zinc/65/97/03/555659703.db2.gz YLEQMVIIOAMOAA-XMMPIXPASA-N 0 1 480.561 3.313 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020149690 555665358 /nfs/dbraw/zinc/66/53/58/555665358.db2.gz IQYZWSUECFZTHK-DEOSSOPVSA-N 0 1 480.561 3.395 50 30 JGEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020171521 555680878 /nfs/dbraw/zinc/68/08/78/555680878.db2.gz MZJBGYWRQWKMTJ-HSZRJFAPSA-N 0 1 467.541 3.192 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020193095 555694344 /nfs/dbraw/zinc/69/43/44/555694344.db2.gz WMGVVAMKOCDUQY-QFIPXVFZSA-N 0 1 483.565 3.347 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020193095 555694345 /nfs/dbraw/zinc/69/43/45/555694345.db2.gz WMGVVAMKOCDUQY-QFIPXVFZSA-N 0 1 483.565 3.347 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000020219524 555714820 /nfs/dbraw/zinc/71/48/20/555714820.db2.gz DBBVJFROIXTSKW-XMMPIXPASA-N 0 1 496.560 3.395 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020229566 555720304 /nfs/dbraw/zinc/72/03/04/555720304.db2.gz CNMLIKRKUVHAKE-OAQYLSRUSA-N 0 1 451.479 3.300 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000020309391 555765958 /nfs/dbraw/zinc/76/59/58/555765958.db2.gz HDSUYHWLNMAONU-QFIPXVFZSA-N 0 1 486.952 3.355 50 30 JGEAMN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2[O-])[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000020310570 555769319 /nfs/dbraw/zinc/76/93/19/555769319.db2.gz VPNHAZOKQQSTRR-QFIPXVFZSA-N 0 1 466.534 3.407 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000012759356 556109322 /nfs/dbraw/zinc/10/93/22/556109322.db2.gz NSQQTPJUHIZAPB-QFIPXVFZSA-N 0 1 486.952 3.268 50 30 JGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccccc3)ccc2O1 ZINC000024146843 556123453 /nfs/dbraw/zinc/12/34/53/556123453.db2.gz RYEFXAUORFLGBZ-KOSHJBKYSA-N 0 1 462.546 3.311 50 30 JGEAMN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCN(C)C ZINC000024147423 556123837 /nfs/dbraw/zinc/12/38/37/556123837.db2.gz VWGRFKDJHLXOMI-HHHXNRCGSA-N 0 1 477.561 3.136 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000016734717 556155767 /nfs/dbraw/zinc/15/57/67/556155767.db2.gz VOWKUCQUORMZSR-FPULEUEGSA-N 0 1 465.502 3.482 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016805769 556162068 /nfs/dbraw/zinc/16/20/68/556162068.db2.gz FWHYIAOPKPZYQL-OAQYLSRUSA-N 0 1 451.475 3.263 50 30 JGEAMN C=CCn1c2ncn(CC3=NC(=O)N[C@H](c4cccs4)C3C(=O)OCC)c(=O)c2sc1=S ZINC000025066219 556177984 /nfs/dbraw/zinc/17/79/84/556177984.db2.gz QAKQQJYNJIHPAL-CQSZACIVSA-N 0 1 489.604 3.108 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000017146927 556226342 /nfs/dbraw/zinc/22/63/42/556226342.db2.gz NGXPGJSGYMXYEE-NRFANRHFSA-N 0 1 471.506 3.254 50 30 biogenic JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000017146957 556226356 /nfs/dbraw/zinc/22/63/56/556226356.db2.gz KLPDMRDLKYNIAW-JOCHJYFZSA-N 0 1 484.549 3.169 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000017146929 556226362 /nfs/dbraw/zinc/22/63/62/556226362.db2.gz NGXPGJSGYMXYEE-OAQYLSRUSA-N 0 1 471.506 3.254 50 30 biogenic JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013110979 556311938 /nfs/dbraw/zinc/31/19/38/556311938.db2.gz NVTNJVZQOPGZHW-PGRDOPGGSA-N 0 1 453.491 3.470 50 30 JGEAMN COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000057063737 563206512 /nfs/dbraw/zinc/20/65/12/563206512.db2.gz ISBKJDDIANGRKM-PZJWPPBQSA-N 0 1 459.550 3.137 50 30 JGEAMN COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(C(=O)C3CC3)[C@@H]2c2ccc(NC(C)=O)cc2)c1 ZINC000062621090 569613529 /nfs/dbraw/zinc/61/35/29/569613529.db2.gz KDSLLROINITBBC-NRFANRHFSA-N 0 1 492.484 3.097 50 30 JGEAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C#N)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137429 569668195 /nfs/dbraw/zinc/66/81/95/569668195.db2.gz PCBXWZHSVJEKKL-UHFFFAOYSA-N 0 1 455.565 3.366 50 30 JGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000085412831 569710632 /nfs/dbraw/zinc/71/06/32/569710632.db2.gz ZLWGGCJRTAFDHT-QHCPKHFHSA-N 0 1 496.560 3.395 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000085412837 569710639 /nfs/dbraw/zinc/71/06/39/569710639.db2.gz IOQKCPZHNVDIGF-AOMKIAJQSA-N 0 1 497.500 3.198 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413432 569710709 /nfs/dbraw/zinc/71/07/09/569710709.db2.gz OAZVMTODXGIVPA-HSZRJFAPSA-N 0 1 480.517 3.107 50 30 JGEAMN CCOc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095393724 569723142 /nfs/dbraw/zinc/72/31/42/569723142.db2.gz RKLJFTMXRLCRAG-BTYIYWSLSA-N 0 1 472.494 3.389 50 30 biogenic JGEAMN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cc(Cl)cc(Cl)c21 ZINC000095479090 569724514 /nfs/dbraw/zinc/72/45/14/569724514.db2.gz XBOZUURADGQJRY-JOCHJYFZSA-N 0 1 493.314 3.411 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccncc2)cc2c1OCO2 ZINC000096335846 569740332 /nfs/dbraw/zinc/74/03/32/569740332.db2.gz BAGLVPCYEPDWQX-QFIPXVFZSA-N 0 1 488.452 3.326 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000100446546 569761292 /nfs/dbraw/zinc/76/12/92/569761292.db2.gz QQHWEGIBBABYAI-CIKQMSCWSA-N 0 1 489.528 3.433 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000100446541 569761339 /nfs/dbraw/zinc/76/13/39/569761339.db2.gz QQHWEGIBBABYAI-SOIUSXPSSA-N 0 1 489.528 3.433 50 30 JGEAMN CCc1cc(Br)ccc1NC(=O)CC1C(=O)N2CCNC2=C1C(=O)c1ccccc1 ZINC000101122827 569783713 /nfs/dbraw/zinc/78/37/13/569783713.db2.gz KRGIGMUAYRTBLS-KRWDZBQOSA-N 0 1 468.351 3.496 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000101287050 569789365 /nfs/dbraw/zinc/78/93/65/569789365.db2.gz QLIHLTOBVKGXFW-ZHHPLPSFSA-N 0 1 466.534 3.252 50 30 JGEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000101760476 569803683 /nfs/dbraw/zinc/80/36/83/569803683.db2.gz VYSPFKGLTCPKEB-MRJHHRETSA-N 0 1 468.506 3.323 50 30 JGEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000101972103 569808565 /nfs/dbraw/zinc/80/85/65/569808565.db2.gz VPHMQQBATLSRQU-MRJHHRETSA-N 0 1 454.479 3.149 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1C ZINC000102863301 569825429 /nfs/dbraw/zinc/82/54/29/569825429.db2.gz WVRRRGLWGZWMPM-PGVNHDJNSA-N 0 1 453.539 3.100 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000102864764 569825615 /nfs/dbraw/zinc/82/56/15/569825615.db2.gz PFKCYNKHWQPCEC-NXLSWJSLSA-N 0 1 464.562 3.456 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)c1C ZINC000102928877 569827427 /nfs/dbraw/zinc/82/74/27/569827427.db2.gz KIFPRDRNQVBSAS-HFEWCJDKSA-N 0 1 475.501 3.444 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000102931409 569828466 /nfs/dbraw/zinc/82/84/66/569828466.db2.gz MGVDXDFFLOVNJK-MOBKVPTQSA-N 0 1 486.952 3.111 50 30 JGEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)C1=O ZINC000169620706 569868372 /nfs/dbraw/zinc/86/83/72/569868372.db2.gz FCXAHKJGOQUZIQ-CWMLTSOLSA-N 0 1 480.362 3.365 50 30 JGEAMN C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1ccccc1)CN(C)[C@@]21c2cc(OC)ccc2N(C)C1=O ZINC000226818393 570038818 /nfs/dbraw/zinc/03/88/18/570038818.db2.gz WIXGEDWAWMYIHU-UKDVSSAZSA-N 0 1 479.627 3.381 50 30 JGEAMN 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102863712 130335121 /nfs/dbraw/zinc/33/51/21/130335121.db2.gz DVKYIEJBLLBWQK-MRJHHRETSA-N 0 1 471.506 3.179 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102870477 130343045 /nfs/dbraw/zinc/34/30/45/130343045.db2.gz OJSKKJJLXLGSCB-MOBKVPTQSA-N 0 1 454.523 3.173 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000102876633 130348601 /nfs/dbraw/zinc/34/86/01/130348601.db2.gz WZXVLASOJWRCOV-OBVHCKHUSA-N 0 1 490.472 3.343 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000102885901 130366687 /nfs/dbraw/zinc/36/66/87/130366687.db2.gz METWCSJMUYFZFS-AYWGPLOBSA-N 0 1 465.502 3.481 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102886384 130367525 /nfs/dbraw/zinc/36/75/25/130367525.db2.gz VYAMCUWPNQYAIC-MOBKVPTQSA-N 0 1 453.491 3.424 50 30 JGEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102890997 130372185 /nfs/dbraw/zinc/37/21/85/130372185.db2.gz SVXSAELOJLAKKQ-NHFXJNLRSA-N 0 1 452.463 3.099 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102892879 130375385 /nfs/dbraw/zinc/37/53/85/130375385.db2.gz SXQOGDSSXGRNOL-MOBKVPTQSA-N 0 1 486.590 3.128 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102892877 130375518 /nfs/dbraw/zinc/37/55/18/130375518.db2.gz SXQOGDSSXGRNOL-HOGKFDNTSA-N 0 1 486.590 3.128 50 30 JGEAMN C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305770 518308914 /nfs/dbraw/zinc/30/89/14/518308914.db2.gz DGXIWDQNDHUOSW-JOCHJYFZSA-N 0 1 479.577 3.347 50 30 JGEAMN C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036309226 518309274 /nfs/dbraw/zinc/30/92/74/518309274.db2.gz HWNMGTQQJUNSFH-GGAORHGYSA-N 0 1 470.635 3.284 50 30 JGEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015319364 518606650 /nfs/dbraw/zinc/60/66/50/518606650.db2.gz GTAAQHYWQCKRKT-XTOGBABISA-N 0 1 461.587 3.335 50 30 JGEAMN C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CCN(C)C ZINC000020461545 518877020 /nfs/dbraw/zinc/87/70/20/518877020.db2.gz UQJRXMVITFQELU-NDEPHWFRSA-N 0 1 489.572 3.302 50 30 JGEAMN C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000014992337 518945029 /nfs/dbraw/zinc/94/50/29/518945029.db2.gz UJPQKEMLJOTJRO-IBGZPJMESA-N 0 1 450.583 3.130 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994425 519020939 /nfs/dbraw/zinc/02/09/39/519020939.db2.gz QWORQHUWGGTCDD-RUZDIDTESA-N 0 1 492.572 3.479 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008837174 519021097 /nfs/dbraw/zinc/02/10/97/519021097.db2.gz FXKCQKLJOOJKLI-QHCPKHFHSA-N 0 1 466.509 3.301 50 30 JGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009991889 519046971 /nfs/dbraw/zinc/04/69/71/519046971.db2.gz ZJTWYEUEAKUMEW-DEOSSOPVSA-N 0 1 478.545 3.171 50 30 JGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009046435 519047571 /nfs/dbraw/zinc/04/75/71/519047571.db2.gz MRSPXNBDORNOOJ-AYWGPLOBSA-N 0 1 466.509 3.144 50 30 JGEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000009424170 519049407 /nfs/dbraw/zinc/04/94/07/519049407.db2.gz CRVVQPRYHYDVMK-NRFANRHFSA-N 0 1 468.506 3.480 50 30 JGEAMN CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3cn(CC)nc3C)CC2)C1=O ZINC000011786915 519343435 /nfs/dbraw/zinc/34/34/35/519343435.db2.gz UJZDMMLLXYPGEF-HHHXNRCGSA-N 0 1 461.610 3.370 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009271260 520430393 /nfs/dbraw/zinc/43/03/93/520430393.db2.gz NIIZORZSHKNNGO-NXLSWJSLSA-N 0 1 480.561 3.238 50 30 JGEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009271395 520469703 /nfs/dbraw/zinc/46/97/03/520469703.db2.gz LLLCWMHWZMWNJB-AYWGPLOBSA-N 0 1 450.535 3.229 50 30 JGEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c1 ZINC000009350081 520471528 /nfs/dbraw/zinc/47/15/28/520471528.db2.gz VOPZRPDYRKLRMT-QFIPXVFZSA-N 0 1 453.491 3.471 50 30 JGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000009354007 520773394 /nfs/dbraw/zinc/77/33/94/520773394.db2.gz UKOPTYBCQZJECC-HOGKFDNTSA-N 0 1 454.523 3.091 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009272920 521267753 /nfs/dbraw/zinc/26/77/53/521267753.db2.gz BQAKPYZIAZLLCR-DEOSSOPVSA-N 0 1 480.561 3.313 50 30 JGEAMN CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1 ZINC000004327840 521305744 /nfs/dbraw/zinc/30/57/44/521305744.db2.gz IUMXMQSPIMHHAM-VQTJNVASSA-N 0 1 457.534 3.333 50 30 aggregator JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1C ZINC000008838073 521359997 /nfs/dbraw/zinc/35/99/97/521359997.db2.gz UWPKQVYAHSEIBS-HXUWFJFHSA-N 0 1 457.502 3.087 50 30 JGEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000022575017 522245653 /nfs/dbraw/zinc/24/56/53/522245653.db2.gz FLEYQDSSVIXUCK-XMMPIXPASA-N 0 1 475.545 3.409 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009354016 523283297 /nfs/dbraw/zinc/28/32/97/523283297.db2.gz FJEJRTYTDBZEQD-OYHNWAKOSA-N 0 1 465.502 3.411 50 30 biogenic JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009354013 523283493 /nfs/dbraw/zinc/28/34/93/523283493.db2.gz FJEJRTYTDBZEQD-NYHFZMIOSA-N 0 1 465.502 3.411 50 30 biogenic JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009124408 523792835 /nfs/dbraw/zinc/79/28/35/523792835.db2.gz ARUBJUHLQJCPOP-NRFANRHFSA-N 0 1 471.506 3.254 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OC)c(OC)c1 ZINC000004019569 523794666 /nfs/dbraw/zinc/79/46/66/523794666.db2.gz GLMBDLGBVUWOSA-RCDICMHDSA-N 0 1 453.491 3.252 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccco2)[C@@H]1c1ccc(I)cc1 ZINC000009272501 523796644 /nfs/dbraw/zinc/79/66/44/523796644.db2.gz FGYZJWVZPSWEII-HNNXBMFYSA-N 0 1 453.232 3.109 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1C ZINC000009235824 524021163 /nfs/dbraw/zinc/02/11/63/524021163.db2.gz CMFUVRRYORSESG-NRFANRHFSA-N 0 1 462.506 3.283 50 30 JGEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccccc3OC)oc21 ZINC000009068122 524258119 /nfs/dbraw/zinc/25/81/19/524258119.db2.gz SAMHALVUNVFZDW-AYWGPLOBSA-N 0 1 492.528 3.204 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000009329523 525224478 /nfs/dbraw/zinc/22/44/78/525224478.db2.gz NVMZVZURWFNFSY-HXUWFJFHSA-N 0 1 495.513 3.418 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009339532 525382100 /nfs/dbraw/zinc/38/21/00/525382100.db2.gz PXHUAZYDLNFMSR-NXLSWJSLSA-N 0 1 492.528 3.204 50 30 JGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1 ZINC000009043380 525757273 /nfs/dbraw/zinc/75/72/73/525757273.db2.gz JBJFUXIVQAYCID-ZHHPLPSFSA-N 0 1 450.535 3.148 50 30 JGEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001255501 526268108 /nfs/dbraw/zinc/26/81/08/526268108.db2.gz HNHNPZVHCRSIBZ-FQEVSTJZSA-N 0 1 487.350 3.065 50 30 JGEAMN Oc1cc(O)c(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1Br ZINC000004017936 526335596 /nfs/dbraw/zinc/33/55/96/526335596.db2.gz WPSKNDWUHJCDRD-LPYMAVHISA-N 0 1 476.379 3.472 50 30 JGEAMN O=[N+]([O-])c1cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)ccc1Cl ZINC000015011523 527326244 /nfs/dbraw/zinc/32/62/44/527326244.db2.gz AWNKAWVYJAOAPU-LPYMAVHISA-N 0 1 454.878 3.459 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102368850 534967717 /nfs/dbraw/zinc/96/77/17/534967717.db2.gz FBXDSLNWCYHJJU-ZHHPLPSFSA-N 0 1 495.532 3.136 50 30 JGEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102892204 535373753 /nfs/dbraw/zinc/37/37/53/535373753.db2.gz HNVMUFRCZYONCS-NPJIAGGLSA-N 0 1 492.572 3.335 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000102925743 536563825 /nfs/dbraw/zinc/56/38/25/536563825.db2.gz SNDGNSKURRRQCY-AYWGPLOBSA-N 0 1 450.535 3.148 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1Cl ZINC000102865653 536566979 /nfs/dbraw/zinc/56/69/79/536566979.db2.gz NXQCOVKRNVHXED-WOOAAIBNSA-N 0 1 462.955 3.164 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102733738 536568735 /nfs/dbraw/zinc/56/87/35/536568735.db2.gz QOVASNGETXUNTC-HVESIFNPSA-N 0 1 452.448 3.390 50 30 JGEAMN 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Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000008826910 554716759 /nfs/dbraw/zinc/71/67/59/554716759.db2.gz MSRHLFLWZBPCGY-JOCHJYFZSA-N 0 1 480.952 3.207 50 30 JGEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000008827086 554717079 /nfs/dbraw/zinc/71/70/79/554717079.db2.gz QYKATHOVRHVQNG-HSZRJFAPSA-N 0 1 478.524 3.082 50 30 JGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000008827183 554717101 /nfs/dbraw/zinc/71/71/01/554717101.db2.gz MHNYTUDMLIHXLC-QFIPXVFZSA-N 0 1 478.524 3.001 50 30 JGEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000008827672 554717877 /nfs/dbraw/zinc/71/78/77/554717877.db2.gz KFTVTKHBNXLOMJ-DEOSSOPVSA-N 0 1 490.535 3.230 50 30 JGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008858198 554755028 /nfs/dbraw/zinc/75/50/28/554755028.db2.gz FTXYDSZYPBQXQZ-HSZRJFAPSA-N 0 1 495.532 3.294 50 30 JGEAMN 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CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccccc2)cc1 ZINC000017124561 556220537 /nfs/dbraw/zinc/22/05/37/556220537.db2.gz XZKLZMWDZDSISO-JOCHJYFZSA-N 0 1 486.590 3.332 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017159501 556229463 /nfs/dbraw/zinc/22/94/63/556229463.db2.gz QCRRKINZFBRNKL-OAQYLSRUSA-N 0 1 471.506 3.336 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000017209287 556241462 /nfs/dbraw/zinc/24/14/62/556241462.db2.gz KUMQENSWBXCQDK-FQEVSTJZSA-N 0 1 492.981 3.205 50 30 JGEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(C)cc3)cc2)nc(OC)n1 ZINC000013124928 556340581 /nfs/dbraw/zinc/34/05/81/556340581.db2.gz IVUZIHDKXRAVLS-OUKQBFOZSA-N 0 1 454.508 3.412 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000006499276 562937388 /nfs/dbraw/zinc/93/73/88/562937388.db2.gz PVDAWCNWKZRJRK-AVRDEDQJSA-N 0 1 453.491 3.470 50 30 JGEAMN 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C=C(C)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000248217241 570076204 /nfs/dbraw/zinc/07/62/04/570076204.db2.gz GTAAQHYWQCKRKT-OJZVVMIASA-N 0 1 461.587 3.335 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCOc3ccccc3)C1=O)O2 ZINC000253403151 570096812 /nfs/dbraw/zinc/09/68/12/570096812.db2.gz GYRNAOAOAVIPDZ-DPYYHXFJSA-N 0 1 463.486 3.237 50 30 JGEAMN COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)Nc1ccccc1 ZINC000001421112 194117689 /nfs/dbraw/zinc/11/76/89/194117689.db2.gz UQHDXBNNVZRRLL-UHFFFAOYSA-N 0 1 451.460 3.349 50 30 JGEAMN C[C@@H]1CC[C@H]2[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000020609737 195182771 /nfs/dbraw/zinc/18/27/71/195182771.db2.gz WANWSAWPRCZBGT-CYBUKMJSSA-N 0 1 468.594 3.058 50 30 biogenic JGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102368872 130123193 /nfs/dbraw/zinc/12/31/93/130123193.db2.gz QFBDWHLMKDSUPV-NXLSWJSLSA-N 0 1 480.561 3.323 50 30 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COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102562902 130210760 /nfs/dbraw/zinc/21/07/60/130210760.db2.gz ZMXWEIFBEAYSDJ-ZHHPLPSFSA-N 0 1 468.550 3.474 50 30 JGEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)s1 ZINC000102570810 130213497 /nfs/dbraw/zinc/21/34/97/130213497.db2.gz PHBGWGDVSHHLSA-SELCWUDQSA-N 0 1 453.451 3.383 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102581587 130216467 /nfs/dbraw/zinc/21/64/67/130216467.db2.gz QOHBUDGHEURBJH-NXLSWJSLSA-N 0 1 498.551 3.375 50 30 JGEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102595129 130219631 /nfs/dbraw/zinc/21/96/31/130219631.db2.gz AZRNGYMLGLJAFM-GHNGSUTGSA-N 0 1 480.458 3.152 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102643222 130229419 /nfs/dbraw/zinc/22/94/19/130229419.db2.gz CBOWZYWZJGLLTL-PJAZINMSSA-N 0 1 453.491 3.313 50 30 JGEAMN 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COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c(OC)c1 ZINC000102885662 130366623 /nfs/dbraw/zinc/36/66/23/130366623.db2.gz IGPKCNSFNKSPMU-AYWGPLOBSA-N 0 1 468.550 3.474 50 30 JGEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102886281 130367563 /nfs/dbraw/zinc/36/75/63/130367563.db2.gz FYBGFSACDUIGCZ-NPJIAGGLSA-N 0 1 494.588 3.484 50 30 JGEAMN C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307468 518300038 /nfs/dbraw/zinc/30/00/38/518300038.db2.gz YCDDDKLKDCDYNA-QFIPXVFZSA-N 0 1 467.541 3.478 50 30 JGEAMN C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306039 518308885 /nfs/dbraw/zinc/30/88/85/518308885.db2.gz NIVSHJCGUICLEQ-JOCHJYFZSA-N 0 1 479.577 3.347 50 30 JGEAMN C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000033033506 518769093 /nfs/dbraw/zinc/76/90/93/518769093.db2.gz ZMBXIHQJADZIAI-UHFFFAOYSA-N 0 1 454.596 3.020 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009243380 519010432 /nfs/dbraw/zinc/01/04/32/519010432.db2.gz DHMIHSIXDOFCIH-ZHHPLPSFSA-N 0 1 496.560 3.261 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008893388 519020367 /nfs/dbraw/zinc/02/03/67/519020367.db2.gz GSTJDCZIGKAMJT-HSZRJFAPSA-N 0 1 493.516 3.070 50 30 JGEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009282199 519762263 /nfs/dbraw/zinc/76/22/63/519762263.db2.gz OPWHUERUJTYVMK-DEOSSOPVSA-N 0 1 480.561 3.338 50 30 JGEAMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000033660279 520632015 /nfs/dbraw/zinc/63/20/15/520632015.db2.gz QCYPKAMZCVJLAK-PXNMLYILSA-N 0 1 489.269 3.321 50 30 JGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000009354009 520781344 /nfs/dbraw/zinc/78/13/44/520781344.db2.gz UKOPTYBCQZJECC-MOBKVPTQSA-N 0 1 454.523 3.091 50 30 JGEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009009114 520858640 /nfs/dbraw/zinc/85/86/40/520858640.db2.gz BPWPTUYPNVMBAB-DEOSSOPVSA-N 0 1 480.561 3.482 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000009209681 520859491 /nfs/dbraw/zinc/85/94/91/520859491.db2.gz HWSQSUNXHKRVDH-QHCPKHFHSA-N 0 1 465.550 3.171 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009271648 521233699 /nfs/dbraw/zinc/23/36/99/521233699.db2.gz SWZWOLNAJAVRSK-SBXHHDGASA-N 0 1 480.561 3.156 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)cc1OC ZINC000016741336 521267013 /nfs/dbraw/zinc/26/70/13/521267013.db2.gz JYENKARPJLLDPN-QHCPKHFHSA-N 0 1 483.517 3.480 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C ZINC000009176747 521361525 /nfs/dbraw/zinc/36/15/25/521361525.db2.gz NGFWYHGSUGMOOI-HXUWFJFHSA-N 0 1 457.502 3.087 50 30 JGEAMN CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009088053 522250623 /nfs/dbraw/zinc/25/06/23/522250623.db2.gz CYUYSWZOTAZEQX-AYWGPLOBSA-N 0 1 467.541 3.036 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009354014 523283258 /nfs/dbraw/zinc/28/32/58/523283258.db2.gz FJEJRTYTDBZEQD-IVZQSRNASA-N 0 1 465.502 3.411 50 30 biogenic JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000015952206 523553573 /nfs/dbraw/zinc/55/35/73/523553573.db2.gz LSOKXKYGLXOOMS-QHCPKHFHSA-N 0 1 466.534 3.004 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000017162325 523556695 /nfs/dbraw/zinc/55/66/95/523556695.db2.gz PHRLYEOPEOAOLK-QFIPXVFZSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009086067 523558888 /nfs/dbraw/zinc/55/88/88/523558888.db2.gz WUGBCEZNFWREFF-OAQYLSRUSA-N 0 1 456.926 3.259 50 30 JGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)c(OC)cc1OC)O2 ZINC000020503741 523718561 /nfs/dbraw/zinc/71/85/61/523718561.db2.gz LIZOJXKHONMFTG-QRVIBDJDSA-N 0 1 473.522 3.129 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(I)cc1 ZINC000009370786 523791758 /nfs/dbraw/zinc/79/17/58/523791758.db2.gz GXTQFXXNKNYZKD-INIZCTEOSA-N 0 1 467.259 3.417 50 30 JGEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000012311663 523964873 /nfs/dbraw/zinc/96/48/73/523964873.db2.gz UXVUVMCJEMRKHY-NSHGMRRFSA-N 0 1 489.576 3.227 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009301991 525214559 /nfs/dbraw/zinc/21/45/59/525214559.db2.gz PXHUAZYDLNFMSR-SBXHHDGASA-N 0 1 492.528 3.204 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000016735583 525390120 /nfs/dbraw/zinc/39/01/20/525390120.db2.gz ZUZHFGFEFBXMEB-HXOBKFHXSA-N 0 1 481.501 3.232 50 30 JGEAMN Cn1c2nc(N=NCc3c(Cl)cccc3Cl)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008636866 527120184 /nfs/dbraw/zinc/12/01/84/527120184.db2.gz UMPOOGFULWGWBS-BHGWPJFGSA-N 0 1 457.321 3.235 50 30 JGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000102857909 535687971 /nfs/dbraw/zinc/68/79/71/535687971.db2.gz ZXNIIEKYCMLKEY-HOLWXTBYSA-N 0 1 453.491 3.400 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102800456 536539850 /nfs/dbraw/zinc/53/98/50/536539850.db2.gz MWZCOTJJWFKNDU-YDJIHCHBSA-N 0 1 492.981 3.049 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102860232 536563409 /nfs/dbraw/zinc/56/34/09/536563409.db2.gz BXDZGUKLTHFIHD-NXLSWJSLSA-N 0 1 464.562 3.456 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102804284 536565805 /nfs/dbraw/zinc/56/58/05/536565805.db2.gz SJSNKWNQEXHCCO-AYWGPLOBSA-N 0 1 460.534 3.470 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102697142 536884336 /nfs/dbraw/zinc/88/43/36/536884336.db2.gz LZZMAVFOKYCRTN-AYWGPLOBSA-N 0 1 498.576 3.483 50 30 JGEAMN CCC1S/C(=N\N=C\c2cc(C)ccc2OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)NC1=O ZINC000002158130 554073470 /nfs/dbraw/zinc/07/34/70/554073470.db2.gz GFOKQFVWYCMOIJ-NIQDBXHUSA-N 0 1 476.536 3.311 50 30 JGEAMN COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3ncccn3)c[nH]c2c1 ZINC000008758591 554660440 /nfs/dbraw/zinc/66/04/40/554660440.db2.gz HNJHSEWKPCYMEU-UHFFFAOYSA-N 0 1 490.593 3.292 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008817158 554699615 /nfs/dbraw/zinc/69/96/15/554699615.db2.gz DINJRNYYNKIYGX-MOBKVPTQSA-N 0 1 486.952 3.111 50 30 JGEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000008817268 554699848 /nfs/dbraw/zinc/69/98/48/554699848.db2.gz TXOJHFCJONQUGE-HSZRJFAPSA-N 0 1 495.576 3.109 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008817316 554700133 /nfs/dbraw/zinc/70/01/33/554700133.db2.gz PVDAWCNWKZRJRK-XMSQKQJNSA-N 0 1 453.491 3.470 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008827060 554717020 /nfs/dbraw/zinc/71/70/20/554717020.db2.gz RKBVMYMZLHKPOX-HSZRJFAPSA-N 0 1 475.501 3.332 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000008837539 554738663 /nfs/dbraw/zinc/73/86/63/554738663.db2.gz LCRIHFDUCQNULM-JOCHJYFZSA-N 0 1 486.952 3.268 50 30 JGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1 ZINC000008858541 554755597 /nfs/dbraw/zinc/75/55/97/554755597.db2.gz URQUJRCYKDRSLB-QFIPXVFZSA-N 0 1 454.498 3.135 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1Cl ZINC000008859385 554755708 /nfs/dbraw/zinc/75/57/08/554755708.db2.gz DIXAUGHDOSTKSG-NRFANRHFSA-N 0 1 474.916 3.398 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008859386 554755798 /nfs/dbraw/zinc/75/57/98/554755798.db2.gz NSQQTPJUHIZAPB-JOCHJYFZSA-N 0 1 486.952 3.268 50 30 JGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008859280 554755826 /nfs/dbraw/zinc/75/58/26/554755826.db2.gz PUMKWJWLTGGGLW-XMMPIXPASA-N 0 1 478.545 3.171 50 30 JGEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000008893284 554781915 /nfs/dbraw/zinc/78/19/15/554781915.db2.gz RICGUXKBLIVMDV-JOCHJYFZSA-N 0 1 450.466 3.482 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1 ZINC000008895117 554784698 /nfs/dbraw/zinc/78/46/98/554784698.db2.gz UUGFVPPWVWLWPT-QFIPXVFZSA-N 0 1 454.498 3.135 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000008904345 554798518 /nfs/dbraw/zinc/79/85/18/554798518.db2.gz DVLHVSLCDWLIMS-SBXHHDGASA-N 0 1 480.561 3.156 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000008905219 554799699 /nfs/dbraw/zinc/79/96/99/554799699.db2.gz KUCLARZQYSZWCL-MRJHHRETSA-N 0 1 450.491 3.433 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1C ZINC000008926827 554824313 /nfs/dbraw/zinc/82/43/13/554824313.db2.gz NIBSCKLSLOLWHX-QHCPKHFHSA-N 0 1 468.525 3.443 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008968536 554842923 /nfs/dbraw/zinc/84/29/23/554842923.db2.gz WOWZTBZRKXRMJR-IBGZPJMESA-N 0 1 465.487 3.409 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008987971 554850477 /nfs/dbraw/zinc/85/04/77/554850477.db2.gz BYQGJRDFMVZHAI-SBXHHDGASA-N 0 1 480.561 3.236 50 30 JGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008988031 554850492 /nfs/dbraw/zinc/85/04/92/554850492.db2.gz HHAGIXMNHAUKNX-AYWGPLOBSA-N 0 1 468.525 3.368 50 30 JGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1 ZINC000008996797 554857965 /nfs/dbraw/zinc/85/79/65/554857965.db2.gz JWNRBMJBXHCRLQ-WOOAAIBNSA-N 0 1 459.340 3.441 50 30 JGEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009330109 555100597 /nfs/dbraw/zinc/10/05/97/555100597.db2.gz QZRBEERQGPBKGB-GOSISDBHSA-N 0 1 480.458 3.309 50 30 JGEAMN COc1cc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc([N+](=O)[O-])c1O ZINC000013286281 555372038 /nfs/dbraw/zinc/37/20/38/555372038.db2.gz FRAATUKJYPYANY-CUNLUVCHSA-N 0 1 470.507 3.379 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000013535230 555488423 /nfs/dbraw/zinc/48/84/23/555488423.db2.gz MIGJXAWAHRAIQX-HSZRJFAPSA-N 0 1 466.534 3.004 50 30 JGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019883851 555528021 /nfs/dbraw/zinc/52/80/21/555528021.db2.gz SJDMYINDRRAMGM-FQEVSTJZSA-N 0 1 471.897 3.159 50 30 JGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019883849 555528033 /nfs/dbraw/zinc/52/80/33/555528033.db2.gz SJDMYINDRRAMGM-HXUWFJFHSA-N 0 1 471.897 3.159 50 30 JGEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013718547 555594875 /nfs/dbraw/zinc/59/48/75/555594875.db2.gz FNMYNKLKDAUILC-JOCHJYFZSA-N 0 1 452.555 3.060 50 30 JGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000020029629 555605208 /nfs/dbraw/zinc/60/52/08/555605208.db2.gz WFZPIAGQJYRPFE-QFIPXVFZSA-N 0 1 454.523 3.248 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000020057830 555621054 /nfs/dbraw/zinc/62/10/54/555621054.db2.gz LNGPZQQNQCJQAV-DEOSSOPVSA-N 0 1 480.561 3.395 50 30 JGEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020065695 555625668 /nfs/dbraw/zinc/62/56/68/555625668.db2.gz METWAADUAGFEBK-XMMPIXPASA-N 0 1 464.562 3.477 50 30 JGEAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000020112177 555649219 /nfs/dbraw/zinc/64/92/19/555649219.db2.gz CBFIGQHHGJBHAY-QMNIERMISA-N 0 1 468.594 3.058 50 30 biogenic JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020193171 555694580 /nfs/dbraw/zinc/69/45/80/555694580.db2.gz KPTCVEWBEKATRF-QFIPXVFZSA-N 0 1 450.491 3.120 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020218905 555712790 /nfs/dbraw/zinc/71/27/90/555712790.db2.gz YUUHGOOEBBHKMI-LAUDKDLHSA-N 0 1 496.560 3.387 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020219878 555716441 /nfs/dbraw/zinc/71/64/41/555716441.db2.gz PVNWDVVPKLTOPS-OAQYLSRUSA-N 0 1 478.501 3.368 50 30 biogenic JGEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020229104 555719767 /nfs/dbraw/zinc/71/97/67/555719767.db2.gz MTNCHMVOXIZPAQ-QHCPKHFHSA-N 0 1 466.534 3.387 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020234293 555725920 /nfs/dbraw/zinc/72/59/20/555725920.db2.gz BXYSJOUTSKZXFD-JOCHJYFZSA-N 0 1 454.523 3.242 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020263292 555745421 /nfs/dbraw/zinc/74/54/21/555745421.db2.gz HZZBTSADISQVQG-QHCPKHFHSA-N 0 1 466.509 3.301 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000020289185 555759857 /nfs/dbraw/zinc/75/98/57/555759857.db2.gz QBWRRWOKRUXQFB-JOCHJYFZSA-N 0 1 484.936 3.022 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024081157 556120396 /nfs/dbraw/zinc/12/03/96/556120396.db2.gz ICBIENGJFXIIHS-XMMPIXPASA-N 0 1 480.561 3.313 50 30 JGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccccc3)ccc2O1 ZINC000024146832 556123315 /nfs/dbraw/zinc/12/33/15/556123315.db2.gz RYEFXAUORFLGBZ-HOYKHHGWSA-N 0 1 462.546 3.311 50 30 JGEAMN COc1ccccc1[C@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCN(C)C ZINC000016945438 556182923 /nfs/dbraw/zinc/18/29/23/556182923.db2.gz LZOPWGVBULFLJB-QHCPKHFHSA-N 0 1 460.534 3.329 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000017058272 556214389 /nfs/dbraw/zinc/21/43/89/556214389.db2.gz NDDVMCCCTGYZGN-QHCPKHFHSA-N 0 1 450.535 3.384 50 30 JGEAMN COc1ccc(CCN(C)CC(=O)N(C)[C@](C)(C#N)c2ccc(OC)c(OC)c2)cc1OC ZINC000025560855 556221515 /nfs/dbraw/zinc/22/15/15/556221515.db2.gz FYWWSGJTIMIHRV-RUZDIDTESA-N 0 1 455.555 3.093 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000017147636 556226779 /nfs/dbraw/zinc/22/67/79/556226779.db2.gz LROIVJIKLBFUHT-HSZRJFAPSA-N 0 1 460.534 3.329 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 ZINC000017209418 556241763 /nfs/dbraw/zinc/24/17/63/556241763.db2.gz PWUMBHBEMPVZQD-FQEVSTJZSA-N 0 1 483.571 3.172 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000018198736 556306007 /nfs/dbraw/zinc/30/60/07/556306007.db2.gz DTTPEJHDEBTCCX-JOCHJYFZSA-N 0 1 475.501 3.347 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013110981 556312120 /nfs/dbraw/zinc/31/21/20/556312120.db2.gz NVTNJVZQOPGZHW-XMSQKQJNSA-N 0 1 453.491 3.470 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000013122406 556338831 /nfs/dbraw/zinc/33/88/31/556338831.db2.gz BMPGHOHXZIGGTD-JOCHJYFZSA-N 0 1 454.498 3.135 50 30 JGEAMN CCOC(=O)N1CCN(C(=S)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1 ZINC000008682871 562951611 /nfs/dbraw/zinc/95/16/11/562951611.db2.gz RHYXKXKUDZTGNB-UHFFFAOYSA-N 0 1 470.643 3.377 50 30 JGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000008438644 569589579 /nfs/dbraw/zinc/58/95/79/569589579.db2.gz HEPSLTWGMMRBTN-OAQYLSRUSA-N 0 1 456.926 3.346 50 30 JGEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677100 569641757 /nfs/dbraw/zinc/64/17/57/569641757.db2.gz LGVLHQXMYGLEGF-IBGZPJMESA-N 0 1 466.504 3.068 50 30 JGEAMN C=CCOc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[n-]2)cc1OC ZINC000034766191 569658492 /nfs/dbraw/zinc/65/84/92/569658492.db2.gz YLARJUDOIKEDJU-UHFFFAOYSA-N 0 1 489.576 3.095 50 30 JGEAMN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@H]1C2 ZINC000082053599 569707935 /nfs/dbraw/zinc/70/79/35/569707935.db2.gz HKCGPXDYAIWCMR-BKTREVCCSA-N 0 1 468.594 3.060 50 30 biogenic JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccncc2)cc2c1OCO2 ZINC000096335845 569740283 /nfs/dbraw/zinc/74/02/83/569740283.db2.gz BAGLVPCYEPDWQX-JOCHJYFZSA-N 0 1 488.452 3.326 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000101287895 569789670 /nfs/dbraw/zinc/78/96/70/569789670.db2.gz JXCGYAIEMRZDPU-HOGKFDNTSA-N 0 1 466.534 3.252 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313332 569791976 /nfs/dbraw/zinc/79/19/76/569791976.db2.gz GSDYANBEONPSML-NXLSWJSLSA-N 0 1 462.546 3.314 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313495 569792260 /nfs/dbraw/zinc/79/22/60/569792260.db2.gz HBBQBBRNMIKENU-IUKMQXEJSA-N 0 1 492.572 3.404 50 30 JGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000101313874 569792394 /nfs/dbraw/zinc/79/23/94/569792394.db2.gz WZVZXQARPDYHBT-ZHHPLPSFSA-N 0 1 464.518 3.006 50 30 JGEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000101760468 569803648 /nfs/dbraw/zinc/80/36/48/569803648.db2.gz VYSPFKGLTCPKEB-JBCNATCCSA-N 0 1 468.506 3.323 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101928215 569808014 /nfs/dbraw/zinc/80/80/14/569808014.db2.gz ZMLVUHQJOAEWGD-JBCNATCCSA-N 0 1 453.495 3.365 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102863309 569825455 /nfs/dbraw/zinc/82/54/55/569825455.db2.gz DTVYJDPYOBBTIO-ZHHPLPSFSA-N 0 1 468.525 3.287 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000102932655 569828883 /nfs/dbraw/zinc/82/88/83/569828883.db2.gz NTTJZHZRDUHTME-SBXHHDGASA-N 0 1 480.561 3.238 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000104006136 569839897 /nfs/dbraw/zinc/83/98/97/569839897.db2.gz IPIBHIVWANYVBW-IXBTYZTBSA-N 0 1 465.502 3.255 50 30 JGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000104006129 569839921 /nfs/dbraw/zinc/83/99/21/569839921.db2.gz IPIBHIVWANYVBW-CBLITQMPSA-N 0 1 465.502 3.255 50 30 JGEAMN C=CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000230112012 570045070 /nfs/dbraw/zinc/04/50/70/570045070.db2.gz LCIQZVVHSTZSFY-HYBUGGRVSA-N 0 1 486.634 3.289 50 30 JGEAMN 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CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102715881 130262478 /nfs/dbraw/zinc/26/24/78/130262478.db2.gz FRCOCOGLMULKRO-AYWGPLOBSA-N 0 1 450.535 3.229 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000102724243 130269017 /nfs/dbraw/zinc/26/90/17/130269017.db2.gz CGNICAOZJUHBBG-HOGKFDNTSA-N 0 1 455.507 3.479 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000102724245 130269099 /nfs/dbraw/zinc/26/90/99/130269099.db2.gz CGNICAOZJUHBBG-MOBKVPTQSA-N 0 1 455.507 3.479 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102729221 130273546 /nfs/dbraw/zinc/27/35/46/130273546.db2.gz XCGSSANRQXPABL-ZHHPLPSFSA-N 0 1 450.535 3.148 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102864662 130336571 /nfs/dbraw/zinc/33/65/71/130336571.db2.gz HTKKIMJHWVYYKI-BARGBQKOSA-N 0 1 451.475 3.083 50 30 JGEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000102877852 130351583 /nfs/dbraw/zinc/35/15/83/130351583.db2.gz XEWPLJBEAQVDIV-JBCNATCCSA-N 0 1 456.926 3.103 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000102884149 130365094 /nfs/dbraw/zinc/36/50/94/130365094.db2.gz BEAUAKQHEMNVDR-AYWGPLOBSA-N 0 1 465.550 3.014 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102886381 130367517 /nfs/dbraw/zinc/36/75/17/130367517.db2.gz VYAMCUWPNQYAIC-HOGKFDNTSA-N 0 1 453.491 3.424 50 30 JGEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 ZINC000102897720 130379788 /nfs/dbraw/zinc/37/97/88/130379788.db2.gz NUKZPWSODUXKFR-CZNAVJSXSA-N 0 1 499.567 3.415 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102926888 130398713 /nfs/dbraw/zinc/39/87/13/130398713.db2.gz PLQPIKGNRUWLBS-HOGKFDNTSA-N 0 1 454.523 3.086 50 30 JGEAMN C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306727 518307086 /nfs/dbraw/zinc/30/70/86/518307086.db2.gz HSVUPFWYJVZIPB-OAQYLSRUSA-N 0 1 467.541 3.478 50 30 JGEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(CN2CCOCC2)c1 ZINC000020606218 518835658 /nfs/dbraw/zinc/83/56/58/518835658.db2.gz PVZSAMQLPDJKRB-XMMPIXPASA-N 0 1 478.545 3.300 50 30 JGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1=O ZINC000015011977 518839467 /nfs/dbraw/zinc/83/94/67/518839467.db2.gz PICVUSFCNANIDJ-POHAHGRESA-N 0 1 458.106 3.258 50 30 JGEAMN C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1cccs1)CN(C)[C@]21c2cc(OC)ccc2N(C)C1=O ZINC000043732524 518848901 /nfs/dbraw/zinc/84/89/01/518848901.db2.gz KRPQOPDMBHSFMP-UZFJHSOTSA-N 0 1 485.656 3.443 50 30 JGEAMN C=CCOC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036309964 518981119 /nfs/dbraw/zinc/98/11/19/518981119.db2.gz JBQAMWZGENBMRA-UNMCSNQZSA-N 0 1 458.624 3.447 50 30 JGEAMN 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CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020265364 555747601 /nfs/dbraw/zinc/74/76/01/555747601.db2.gz NCZYCLPFJQANDM-XMMPIXPASA-N 0 1 480.561 3.395 50 30 JGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020310507 555768729 /nfs/dbraw/zinc/76/87/29/555768729.db2.gz HHJRIGRVHNXFAV-XMMPIXPASA-N 0 1 480.561 3.400 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000012535798 556008549 /nfs/dbraw/zinc/00/85/49/556008549.db2.gz HNIQLPNCGMJKAU-HSZRJFAPSA-N 0 1 466.534 3.004 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000017145647 556225627 /nfs/dbraw/zinc/22/56/27/556225627.db2.gz JIUFUTDRZCZYSC-JOCHJYFZSA-N 0 1 454.523 3.161 50 30 biogenic JGEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1F ZINC000026532827 556256091 /nfs/dbraw/zinc/25/60/91/556256091.db2.gz AFVFEMHYIOXTSK-QFIPXVFZSA-N 0 1 454.498 3.140 50 30 JGEAMN 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COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000085652141 569714034 /nfs/dbraw/zinc/71/40/34/569714034.db2.gz APGVLGQBKIUDAQ-UHFFFAOYSA-N 0 1 477.502 3.185 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc2c1OCO2 ZINC000096335840 569740168 /nfs/dbraw/zinc/74/01/68/569740168.db2.gz GVYXHCVXGVTVNG-AOMKIAJQSA-N 0 1 497.500 3.198 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2 ZINC000096335811 569740184 /nfs/dbraw/zinc/74/01/84/569740184.db2.gz AWPLLYCQIDJLKK-IBGZPJMESA-N 0 1 456.520 3.160 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000101288227 569789952 /nfs/dbraw/zinc/78/99/52/569789952.db2.gz NALDDJULAGAMHQ-JBCNATCCSA-N 0 1 454.548 3.067 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313420 569792069 /nfs/dbraw/zinc/79/20/69/569792069.db2.gz ORHDPBGILKOXNK-AYWGPLOBSA-N 0 1 466.509 3.144 50 30 JGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313577 569792234 /nfs/dbraw/zinc/79/22/34/569792234.db2.gz PYSMPPRKEOFMIO-IUKMQXEJSA-N 0 1 492.572 3.404 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000102931407 569828356 /nfs/dbraw/zinc/82/83/56/569828356.db2.gz MGVDXDFFLOVNJK-HOGKFDNTSA-N 0 1 486.952 3.111 50 30 JGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102931524 569828463 /nfs/dbraw/zinc/82/84/63/569828463.db2.gz JWUPOYNUUZIJRT-MOBKVPTQSA-N 0 1 454.523 3.086 50 30 JGEAMN C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1ccccc1)CN(C)[C@@]21c2cc(OC)ccc2N(C)C1=O ZINC000226818403 570038750 /nfs/dbraw/zinc/03/87/50/570038750.db2.gz WIXGEDWAWMYIHU-QTLGCAHFSA-N 0 1 479.627 3.381 50 30 JGEAMN C=CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000245279953 570061762 /nfs/dbraw/zinc/06/17/62/570061762.db2.gz KXOLJZSHTFUBBX-TZIWHRDSSA-N 0 1 474.623 3.147 50 30 JGEAMN C#CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245328340 570065733 /nfs/dbraw/zinc/06/57/33/570065733.db2.gz NPFJBKPMNWFJJU-FYYLOGMGSA-N 0 1 470.635 3.202 50 30 JGEAMN C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1 ZINC000245329634 570066294 /nfs/dbraw/zinc/06/62/94/570066294.db2.gz ULNLPZNHMKNNGD-NFBKMPQASA-N 0 1 489.037 3.381 50 30 JGEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000248232702 570076420 /nfs/dbraw/zinc/07/64/20/570076420.db2.gz LJQKSAIRVJCXHL-LEKPLPIFSA-N 0 1 475.614 3.331 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H]3Cc4ccccc4O3)C1=O)O2 ZINC000253397428 570096127 /nfs/dbraw/zinc/09/61/27/570096127.db2.gz BKXQDHDVVQIJRU-QYONTTNCSA-N 0 1 475.497 3.162 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCc3c(C)noc3C)C1=O)O2 ZINC000253398964 570096209 /nfs/dbraw/zinc/09/62/09/570096209.db2.gz CKZJMVXBEGEJOQ-WGKDYUSESA-N 0 1 480.517 3.396 50 30 JGEAMN COc1ccc(C(=O)CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1 ZINC000253405574 570097101 /nfs/dbraw/zinc/09/71/01/570097101.db2.gz IJEYSHLHPHKBIC-PGSXWIQSSA-N 0 1 491.496 3.050 50 30 JGEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C ZINC000254573065 570105917 /nfs/dbraw/zinc/10/59/17/570105917.db2.gz YYAHHFWAAQECFS-UHFFFAOYSA-N 0 1 463.336 3.099 50 30 JGEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 ZINC000263630243 570173752 /nfs/dbraw/zinc/17/37/52/570173752.db2.gz QDBOJQUJUQUMAR-UHFFFAOYSA-N 0 1 497.353 3.295 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000012615873 195054959 /nfs/dbraw/zinc/05/49/59/195054959.db2.gz XGCCEYZENVMYRP-HSZRJFAPSA-N 0 1 468.525 3.443 50 30 JGEAMN C[C@@H]1CC[C@H]2[C@@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000020609735 195182650 /nfs/dbraw/zinc/18/26/50/195182650.db2.gz WANWSAWPRCZBGT-SYUHZYNMSA-N 0 1 468.594 3.058 50 30 biogenic JGEAMN C=CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036310024 128394966 /nfs/dbraw/zinc/39/49/66/128394966.db2.gz KXOLJZSHTFUBBX-CTNGQTDRSA-N 0 1 474.623 3.147 50 30 JGEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O ZINC000096318612 130063802 /nfs/dbraw/zinc/06/38/02/130063802.db2.gz FCXAHKJGOQUZIQ-HMSHQKHKSA-N 0 1 480.362 3.365 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCOC)cc1OC ZINC000102483920 130137530 /nfs/dbraw/zinc/13/75/30/130137530.db2.gz CUEKLJMHAXUHAI-HOGKFDNTSA-N 0 1 455.507 3.479 50 30 JGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102491744 130146267 /nfs/dbraw/zinc/14/62/67/130146267.db2.gz XSVVSDIMYJEWQF-QOJBNDRUSA-N 0 1 483.366 3.389 50 30 JGEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 ZINC000102546988 130201137 /nfs/dbraw/zinc/20/11/37/130201137.db2.gz ZEASYNNRECAKGP-CJJGVWJISA-N 0 1 499.567 3.415 50 30 JGEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000102605854 130222086 /nfs/dbraw/zinc/22/20/86/130222086.db2.gz WRXPWTFDAXDIPE-WOOAAIBNSA-N 0 1 465.487 3.253 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102604722 130222162 /nfs/dbraw/zinc/22/21/62/130222162.db2.gz FWGIEQAYCXSQSJ-YDJIHCHBSA-N 0 1 495.513 3.261 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000102606261 130222566 /nfs/dbraw/zinc/22/25/66/130222566.db2.gz PAFOCFXCQXDLDR-ZHHPLPSFSA-N 0 1 486.480 3.261 50 30 JGEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102652820 130232436 /nfs/dbraw/zinc/23/24/36/130232436.db2.gz AIDIZAMGQLJBRF-SBXHHDGASA-N 0 1 488.544 3.232 50 30 JGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102707366 130254020 /nfs/dbraw/zinc/25/40/20/130254020.db2.gz JSPPRNMABOMJOR-NXLSWJSLSA-N 0 1 480.561 3.156 50 30 JGEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(F)cc3)oc21 ZINC000102860262 130331038 /nfs/dbraw/zinc/33/10/38/130331038.db2.gz ZGWAIGMUUZVBNB-MOBKVPTQSA-N 0 1 480.492 3.334 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102864660 130336536 /nfs/dbraw/zinc/33/65/36/130336536.db2.gz HTKKIMJHWVYYKI-WMZGQSCCSA-N 0 1 451.475 3.083 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102886488 130367922 /nfs/dbraw/zinc/36/79/22/130367922.db2.gz IBAIFRTWNLPPIE-ONDFOOFZSA-N 0 1 492.572 3.163 50 30 JGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000102889518 130371045 /nfs/dbraw/zinc/37/10/45/130371045.db2.gz ATPCFVPTAAUXRO-ZHHPLPSFSA-N 0 1 465.550 3.014 50 30 JGEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1C ZINC000102925481 130396096 /nfs/dbraw/zinc/39/60/96/130396096.db2.gz BSEZNVXCWWSLMK-PGVNHDJNSA-N 0 1 462.506 3.127 50 30 JGEAMN 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CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OC)CC1 ZINC000009355077 520664418 /nfs/dbraw/zinc/66/44/18/520664418.db2.gz GEOCAFMXNXJYPG-LJQANCHMSA-N 0 1 458.566 3.488 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009354389 521232660 /nfs/dbraw/zinc/23/26/60/521232660.db2.gz XPUQSYWNXYKCKO-SBXHHDGASA-N 0 1 496.560 3.239 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000009487471 522163894 /nfs/dbraw/zinc/16/38/94/522163894.db2.gz WNHWQWYFFDKYTF-HSZRJFAPSA-N 0 1 486.480 3.418 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009425247 522171901 /nfs/dbraw/zinc/17/19/01/522171901.db2.gz UIAWYHVCJNGOJT-QHCPKHFHSA-N 0 1 486.480 3.418 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000009312753 523553943 /nfs/dbraw/zinc/55/39/43/523553943.db2.gz DYBCSNJBFBFRCF-XMMPIXPASA-N 0 1 496.560 3.018 50 30 JGEAMN 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O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000008835972 526950577 /nfs/dbraw/zinc/95/05/77/526950577.db2.gz VQDKJACQEPDGPI-GHNGSUTGSA-N 0 1 477.380 3.265 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000102369214 534968537 /nfs/dbraw/zinc/96/85/37/534968537.db2.gz UMCCKVVDBABTBQ-MRJHHRETSA-N 0 1 456.564 3.289 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102498885 536103550 /nfs/dbraw/zinc/10/35/50/536103550.db2.gz RRXWNTJFDBYUDZ-HOGKFDNTSA-N 0 1 495.532 3.093 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000102484455 536563674 /nfs/dbraw/zinc/56/36/74/536563674.db2.gz BZBACQROMZTPSF-ZHHPLPSFSA-N 0 1 450.535 3.148 50 30 JGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(I)cc1 ZINC000102883105 536852664 /nfs/dbraw/zinc/85/26/64/536852664.db2.gz ZRTJSSPKRQJDGE-UYTDBDHRSA-N 0 1 467.259 3.261 50 30 JGEAMN 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CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Br)c1 ZINC000019880080 555525146 /nfs/dbraw/zinc/52/51/46/555525146.db2.gz ACFQFIVZXSGQFW-IBGZPJMESA-N 0 1 473.323 3.318 50 30 JGEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000013718544 555594739 /nfs/dbraw/zinc/59/47/39/555594739.db2.gz FNMYNKLKDAUILC-QFIPXVFZSA-N 0 1 452.555 3.060 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020057954 555621484 /nfs/dbraw/zinc/62/14/84/555621484.db2.gz SJCCTPVTKCWGMW-QFIPXVFZSA-N 0 1 498.963 3.427 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020227867 555718395 /nfs/dbraw/zinc/71/83/95/555718395.db2.gz MJJPQWDJUQGDQE-XMMPIXPASA-N 0 1 496.560 3.013 50 30 JGEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020262942 555745087 /nfs/dbraw/zinc/74/50/87/555745087.db2.gz APLNMWJRHTZCQK-XMMPIXPASA-N 0 1 480.561 3.395 50 30 JGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020263108 555745413 /nfs/dbraw/zinc/74/54/13/555745413.db2.gz KEFYYRFUMWGQRI-HSZRJFAPSA-N 0 1 490.512 3.130 50 30 JGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000020265376 555747749 /nfs/dbraw/zinc/74/77/49/555747749.db2.gz RAHWQBJFQCOZOU-XMMPIXPASA-N 0 1 480.561 3.395 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)c(O)c1 ZINC000020309511 555766860 /nfs/dbraw/zinc/76/68/60/555766860.db2.gz URMMWICRHVREHL-XMMPIXPASA-N 0 1 496.560 3.099 50 30 JGEAMN N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000023753549 556087598 /nfs/dbraw/zinc/08/75/98/556087598.db2.gz RJPKVFCORJFKAM-UHFFFAOYSA-N 0 1 480.634 3.010 50 30 JGEAMN COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000016946148 556183305 /nfs/dbraw/zinc/18/33/05/556183305.db2.gz HCFQANOUNFNAJJ-DEOSSOPVSA-N 0 1 490.560 3.338 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000017058269 556214473 /nfs/dbraw/zinc/21/44/73/556214473.db2.gz NDDVMCCCTGYZGN-HSZRJFAPSA-N 0 1 450.535 3.384 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000017138532 556224372 /nfs/dbraw/zinc/22/43/72/556224372.db2.gz PUVYBCNPHUIISR-QFIPXVFZSA-N 0 1 495.532 3.250 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000017139020 556224775 /nfs/dbraw/zinc/22/47/75/556224775.db2.gz KPNNPYIABFQVPF-HSZRJFAPSA-N 0 1 468.525 3.443 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000017146959 556226365 /nfs/dbraw/zinc/22/63/65/556226365.db2.gz KLPDMRDLKYNIAW-QFIPXVFZSA-N 0 1 484.549 3.169 50 30 JGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017159503 556229439 /nfs/dbraw/zinc/22/94/39/556229439.db2.gz QCRRKINZFBRNKL-NRFANRHFSA-N 0 1 471.506 3.336 50 30 JGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000017179696 556234416 /nfs/dbraw/zinc/23/44/16/556234416.db2.gz XDNWGVDYMSVZCD-FPOVZHCZSA-N 0 1 451.475 3.239 50 30 JGEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 ZINC000017209416 556241843 /nfs/dbraw/zinc/24/18/43/556241843.db2.gz PWUMBHBEMPVZQD-HXUWFJFHSA-N 0 1 483.571 3.172 50 30 JGEAMN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000029985445 556361739 /nfs/dbraw/zinc/36/17/39/556361739.db2.gz QSPUMIRAUCABOJ-UHFFFAOYSA-N 0 1 485.514 3.299 50 30 JGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000006499145 562937392 /nfs/dbraw/zinc/93/73/92/562937392.db2.gz MLCKGJZKHZPWRN-QHCPKHFHSA-N 0 1 450.535 3.386 50 30 JGEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000008441403 569590403 /nfs/dbraw/zinc/59/04/03/569590403.db2.gz VOWKUCQUORMZSR-IGMHASDESA-N 0 1 465.502 3.482 50 30 JGEAMN Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000065116732 569666687 /nfs/dbraw/zinc/66/66/87/569666687.db2.gz BZQRNUPKQFMVOX-UHFFFAOYSA-N 0 1 457.537 3.405 50 30 JGEAMN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@H]1C2 ZINC000082053602 569707976 /nfs/dbraw/zinc/70/79/76/569707976.db2.gz HKCGPXDYAIWCMR-UBJUCSNMSA-N 0 1 468.594 3.060 50 30 biogenic JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000085412841 569710593 /nfs/dbraw/zinc/71/05/93/569710593.db2.gz IOQKCPZHNVDIGF-OPAMFIHVSA-N 0 1 497.500 3.198 50 30 JGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413436 569710692 /nfs/dbraw/zinc/71/06/92/569710692.db2.gz OAZVMTODXGIVPA-QHCPKHFHSA-N 0 1 480.517 3.107 50 30 JGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000095483306 569725128 /nfs/dbraw/zinc/72/51/28/569725128.db2.gz YZCUGBPDTFLHIR-JOCHJYFZSA-N 0 1 463.465 3.462 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(O)c2)cc1F ZINC000095875801 569729220 /nfs/dbraw/zinc/72/92/20/569729220.db2.gz QTECXMUKOYAGID-NRFANRHFSA-N 0 1 451.454 3.405 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2 ZINC000096335810 569740170 /nfs/dbraw/zinc/74/01/70/569740170.db2.gz AWPLLYCQIDJLKK-LJQANCHMSA-N 0 1 456.520 3.160 50 30 JGEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096335847 569740360 /nfs/dbraw/zinc/74/03/60/569740360.db2.gz TTWKABNZYPVNMM-JOCHJYFZSA-N 0 1 458.426 3.318 50 30 JGEAMN CC(C)(C)[C@@H](CO)/N=C/c1cc(I)cc(I)c1O ZINC000100079304 569752586 /nfs/dbraw/zinc/75/25/86/569752586.db2.gz WVBNUUNXQNMMOB-OHUUDMDPSA-N 0 1 473.092 3.427 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000100446548 569761356 /nfs/dbraw/zinc/76/13/56/569761356.db2.gz QQHWEGIBBABYAI-RPUIFAKWSA-N 0 1 489.528 3.433 50 30 JGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101287498 569789473 /nfs/dbraw/zinc/78/94/73/569789473.db2.gz LHQUBZYWNOSBNT-MRJHHRETSA-N 0 1 451.479 3.143 50 30 JGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000101288224 569789961 /nfs/dbraw/zinc/78/99/61/569789961.db2.gz NALDDJULAGAMHQ-MRJHHRETSA-N 0 1 454.548 3.067 50 30 JGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101928255 569807956 /nfs/dbraw/zinc/80/79/56/569807956.db2.gz NGGIDWAJMBSNFI-JBCNATCCSA-N 0 1 453.495 3.365 50 30 JGEAMN COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102857108 569824622 /nfs/dbraw/zinc/82/46/22/569824622.db2.gz LSXHRAKOEKIUKL-ZHHPLPSFSA-N 0 1 460.534 3.173 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102863307 569825369 /nfs/dbraw/zinc/82/53/69/569825369.db2.gz DTVYJDPYOBBTIO-AYWGPLOBSA-N 0 1 468.525 3.287 50 30 JGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102863878 569825449 /nfs/dbraw/zinc/82/54/49/569825449.db2.gz DINJRNYYNKIYGX-HOGKFDNTSA-N 0 1 486.952 3.111 50 30 JGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000102871738 569825928 /nfs/dbraw/zinc/82/59/28/569825928.db2.gz BNYDVOXHCDUTNM-HOGKFDNTSA-N 0 1 454.523 3.171 50 30 JGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873113 569825953 /nfs/dbraw/zinc/82/59/53/569825953.db2.gz VZDYFKQEDMIKQM-LCOUTEJOSA-N 0 1 453.491 3.313 50 30 JGEAMN C=CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1 ZINC000169679918 569870132 /nfs/dbraw/zinc/87/01/32/569870132.db2.gz LCIQZVVHSTZSFY-YKSBVNFPSA-N 0 1 486.634 3.289 50 30 JGEAMN C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C1CC1 ZINC000230111612 570045088 /nfs/dbraw/zinc/04/50/88/570045088.db2.gz SYXUAWAYZRJXFY-ZJSXRUAMSA-N 0 1 468.619 3.036 50 30 JGEAMN C=CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000245328355 570065702 /nfs/dbraw/zinc/06/57/02/570065702.db2.gz NYVQDPNVDHMBKT-NFBKMPQASA-N 0 1 474.598 3.420 50 30 JGEAMN NC(=O)c1cc(N=Nc2c(N)[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000252640235 570090362 /nfs/dbraw/zinc/09/03/62/570090362.db2.gz YRVLKIXRZCGANU-UHFFFAOYSA-N 0 1 460.108 3.486 50 30 JGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)c3ccccc3)C1=O)O2 ZINC000253413774 570098433 /nfs/dbraw/zinc/09/84/33/570098433.db2.gz VQHLSLUEPSRSEW-WGKDYUSESA-N 0 1 461.470 3.041 50 30 JGEAMN