smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(OC)cc2OC)O3)CC1 ZINC000022575532 521687696 /nfs/dbraw/zinc/68/76/96/521687696.db2.gz QHWMDMQFBRVTOJ-XKZIYDEJSA-N 0 1 424.497 3.163 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)cc1 ZINC000024192958 521755596 /nfs/dbraw/zinc/75/55/96/521755596.db2.gz ORNRTPBXCLXZIK-HXUWFJFHSA-N 0 1 406.438 3.278 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000020281410 523558161 /nfs/dbraw/zinc/55/81/61/523558161.db2.gz MJWWQNWHIBPYME-GOSISDBHSA-N 0 1 418.877 3.390 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000000922170 557119525 /nfs/dbraw/zinc/11/95/25/557119525.db2.gz VPVGJIIWVPGIPO-HXUWFJFHSA-N 0 1 412.461 3.283 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000008743979 557804329 /nfs/dbraw/zinc/80/43/29/557804329.db2.gz XQIAKEXZEMSQOT-GOSISDBHSA-N 0 1 410.382 3.376 50 30 HGEAMN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1cnc[nH]1 ZINC000009356384 557838796 /nfs/dbraw/zinc/83/87/96/557838796.db2.gz SLLNQSLHRLPHFJ-LJQANCHMSA-N 0 1 421.545 3.422 50 30 HGEAMN C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1cnc[nH]1 ZINC000009356386 557839013 /nfs/dbraw/zinc/83/90/13/557839013.db2.gz IGBRISCDWCJUJA-OAHLLOKOSA-N 0 1 407.518 3.032 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057686 558329035 /nfs/dbraw/zinc/32/90/35/558329035.db2.gz KQMKOOVXPOTFPG-OAQYLSRUSA-N 0 1 424.497 3.234 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020230457 558350185 /nfs/dbraw/zinc/35/01/85/558350185.db2.gz SISCMRJTOSCCCS-NRFANRHFSA-N 0 1 406.482 3.391 50 30 HGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020441141 558363402 /nfs/dbraw/zinc/36/34/02/558363402.db2.gz OAJWXZKHBYSJSS-VBKZILBWSA-N 0 1 410.470 3.051 50 30 HGEAMN N#Cc1c2c(c(N3CCOCC3)nc1N1CCCCC1)CN(C1CCCCC1)CC2 ZINC000013510304 558835177 /nfs/dbraw/zinc/83/51/77/558835177.db2.gz USTWWTVTEQRMQG-UHFFFAOYSA-N 0 1 409.578 3.471 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)cc1 ZINC000013569841 558844430 /nfs/dbraw/zinc/84/44/30/558844430.db2.gz GCOPRWVVVRQHBL-SFHVURJKSA-N 0 1 405.385 3.407 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013724750 558860310 /nfs/dbraw/zinc/86/03/10/558860310.db2.gz ALWKFNFLXLNWTP-OAQYLSRUSA-N 0 1 424.545 3.300 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000005045083 559236445 /nfs/dbraw/zinc/23/64/45/559236445.db2.gz PQOHBAMQBBYUGB-HXUWFJFHSA-N 0 1 411.454 3.237 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005576923 560624743 /nfs/dbraw/zinc/62/47/43/560624743.db2.gz WDQTYNPGBMZAGY-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccncc1 ZINC000017252862 560705091 /nfs/dbraw/zinc/70/50/91/560705091.db2.gz OVCRCSOTIZSCDI-HXUWFJFHSA-N 0 1 410.470 3.341 50 30 HGEAMN COc1ccc([C@H]2NC(=O)C(=O)C2C(=O)c2ccc(Br)cc2)cc1OC ZINC000018192775 560782132 /nfs/dbraw/zinc/78/21/32/560782132.db2.gz DWRQKPPKOBSATO-MRXNPFEDSA-N 0 1 418.243 3.332 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)o1 ZINC000102374269 560810660 /nfs/dbraw/zinc/81/06/60/560810660.db2.gz ONHRAANFQUNBLA-NHFXJNLRSA-N 0 1 412.486 3.359 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102490706 560812121 /nfs/dbraw/zinc/81/21/21/560812121.db2.gz VRTMGWOESDYSAA-GHNGSUTGSA-N 0 1 416.393 3.320 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOC)cc1OC ZINC000102543077 560814536 /nfs/dbraw/zinc/81/45/36/560814536.db2.gz YMCQWWKBEBNLLP-NHFXJNLRSA-N 0 1 411.454 3.162 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102803794 560826647 /nfs/dbraw/zinc/82/66/47/560826647.db2.gz LLSWTHTVNVOPJB-LFVOPCPISA-N 0 1 422.462 3.479 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000102801232 560828641 /nfs/dbraw/zinc/82/86/41/560828641.db2.gz QACOLBPSUBAUKV-CFOFYBNBSA-N 0 1 423.465 3.305 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102874805 560830486 /nfs/dbraw/zinc/83/04/86/560830486.db2.gz LHSKBOMDAUCTKR-BARGBQKOSA-N 0 1 423.465 3.305 50 30 HGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102926758 560834429 /nfs/dbraw/zinc/83/44/29/560834429.db2.gz GDCMKOKZQXIVPW-GROYHEBESA-N 0 1 416.817 3.052 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102933285 560835620 /nfs/dbraw/zinc/83/56/20/560835620.db2.gz CVVITORYHGNLDO-YDJIHCHBSA-N 0 1 411.454 3.080 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccncc1 ZINC000103954783 560846018 /nfs/dbraw/zinc/84/60/18/560846018.db2.gz IXRCIXMGTBZZDE-JBCNATCCSA-N 0 1 424.497 3.493 50 30 HGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccncc1 ZINC000104188728 560849260 /nfs/dbraw/zinc/84/92/60/560849260.db2.gz NQXYBNXIKQCXPZ-LFVOPCPISA-N 0 1 422.872 3.444 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000104204534 560849764 /nfs/dbraw/zinc/84/97/64/560849764.db2.gz BFMINWCCNKOZCS-YDJIHCHBSA-N 0 1 411.454 3.167 50 30 HGEAMN Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(-c2nnc(C3CC3)[nH]2)c1 ZINC000047421276 560886849 /nfs/dbraw/zinc/88/68/49/560886849.db2.gz NKLXCBNHKRXDKT-UHFFFAOYSA-N 0 1 416.485 3.406 50 30 HGEAMN COc1ccc(OC)c(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\[O-])c1 ZINC000020111850 568588760 /nfs/dbraw/zinc/58/87/60/568588760.db2.gz MEQCWZDHMLUXBP-CXJVOSNZSA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1Cl ZINC000020227989 568595205 /nfs/dbraw/zinc/59/52/05/568595205.db2.gz KIUBVLHCGNCHHZ-QGZVFWFLSA-N 0 1 404.850 3.082 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1F)O2 ZINC000020503954 568619571 /nfs/dbraw/zinc/61/95/71/568619571.db2.gz HOMOQNAFDLCEMT-MOSHPQCFSA-N 0 1 401.434 3.242 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020533536 568629535 /nfs/dbraw/zinc/62/95/35/568629535.db2.gz VISYPUXZHFZRDY-STZFKDTASA-N 0 1 413.470 3.112 50 30 HGEAMN COc1ccc(CCc2nc(NC(=O)[C@H](C)N3Cc4ccccc4C3=O)n[nH]2)cc1 ZINC000095479043 568632114 /nfs/dbraw/zinc/63/21/14/568632114.db2.gz RBPJGNVUEODOEY-AWEZNQCLSA-N 0 1 405.458 3.231 50 30 HGEAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@H](C)N3Cc4ccccc4C3=O)n2)cc1 ZINC000095479043 568632115 /nfs/dbraw/zinc/63/21/15/568632115.db2.gz RBPJGNVUEODOEY-AWEZNQCLSA-N 0 1 405.458 3.231 50 30 HGEAMN CC(C)N(CC(=O)NC1(C#N)CCCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000058305338 568910370 /nfs/dbraw/zinc/91/03/70/568910370.db2.gz AMZOWANMOIEXIT-FQEVSTJZSA-N 0 1 409.530 3.242 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006813806 569137295 /nfs/dbraw/zinc/13/72/95/569137295.db2.gz XZDFEUDEWICCIN-QGZVFWFLSA-N 0 1 402.366 3.168 50 30 HGEAMN N#Cc1c2c(c(N3CCCCC3)nc1N1CCOCC1)CN(C1CCCCC1)CC2 ZINC000013116311 569409379 /nfs/dbraw/zinc/40/93/79/569409379.db2.gz LMHRUVOWZDZKLT-UHFFFAOYSA-N 0 1 409.578 3.471 50 30 HGEAMN CC1N=NC(=S)N1c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000328596023 569416059 /nfs/dbraw/zinc/41/60/59/569416059.db2.gz OGZIVJAZAYQLHM-UHFFFAOYSA-N 0 1 405.892 3.190 50 30 HGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827564 571122445 /nfs/dbraw/zinc/12/24/45/571122445.db2.gz AZZSKKKSEPSTFS-GOSISDBHSA-N 0 1 422.393 3.454 50 30 HGEAMN COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c(OC)c1 ZINC000020573681 523418576 /nfs/dbraw/zinc/41/85/76/523418576.db2.gz CGMXNNVIIJMFOZ-MTJSOVHGSA-N 0 1 424.497 3.081 50 30 HGEAMN S[C@@H](COCc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022146853 526388654 /nfs/dbraw/zinc/38/86/54/526388654.db2.gz CTCIGFHMLGKYCR-HXUWFJFHSA-N 0 1 400.544 3.048 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001155423 557213476 /nfs/dbraw/zinc/21/34/76/557213476.db2.gz IIBWHQNCPUPLJW-SFHVURJKSA-N 0 1 416.393 3.476 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000004312259 557539560 /nfs/dbraw/zinc/53/95/60/557539560.db2.gz ACMUHDOHKLSYBI-DYESRHJHSA-N 0 1 423.465 3.461 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004820090 557602277 /nfs/dbraw/zinc/60/22/77/557602277.db2.gz KHRZGXUFMCGYJG-KRWDZBQOSA-N 0 1 416.817 3.473 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004820089 557602317 /nfs/dbraw/zinc/60/23/17/557602317.db2.gz KHRZGXUFMCGYJG-QGZVFWFLSA-N 0 1 416.817 3.473 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccncc3)ccc2O1 ZINC000005408892 557651994 /nfs/dbraw/zinc/65/19/94/557651994.db2.gz IBJSSLZMMNXSDI-CFCCAZDESA-N 0 1 420.465 3.162 50 30 HGEAMN COC(=O)c1ccc(COc2ccccc2C=Nn2c(=S)[nH]nc2C(F)F)o1 ZINC000002793292 557764795 /nfs/dbraw/zinc/76/47/95/557764795.db2.gz JCEKUPYCTNAZBU-DNTJNYDQSA-N 0 1 408.386 3.345 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000008997021 557818330 /nfs/dbraw/zinc/81/83/30/557818330.db2.gz PXJUJEWNBJYSNI-HXUWFJFHSA-N 0 1 409.486 3.009 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c1 ZINC000004333754 558263553 /nfs/dbraw/zinc/26/35/53/558263553.db2.gz LXKGZPQIRBOLRH-HXUWFJFHSA-N 0 1 401.422 3.264 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029659 558323867 /nfs/dbraw/zinc/32/38/67/558323867.db2.gz GNQUVDQWVHPFOY-NRFANRHFSA-N 0 1 408.498 3.452 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029659 558323870 /nfs/dbraw/zinc/32/38/70/558323870.db2.gz GNQUVDQWVHPFOY-NRFANRHFSA-N 0 1 408.498 3.452 50 30 HGEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000013004457 558501597 /nfs/dbraw/zinc/50/15/97/558501597.db2.gz HAEYGEXETKEKHY-NRFANRHFSA-N 0 1 423.513 3.400 50 30 HGEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000013127218 558518837 /nfs/dbraw/zinc/51/88/37/558518837.db2.gz YAFIUYBQXMHLKW-OAQYLSRUSA-N 0 1 423.513 3.256 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000015919967 558761849 /nfs/dbraw/zinc/76/18/49/558761849.db2.gz FIXVTBQUUULECI-INIZCTEOSA-N 0 1 420.234 3.159 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000017180095 558824926 /nfs/dbraw/zinc/82/49/26/558824926.db2.gz QJCXFMDBDYOGAF-FQEVSTJZSA-N 0 1 409.486 3.009 50 30 HGEAMN Cc1ccc(SCc2cc(=O)[n-]c(NC(=[NH2+])Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000017196373 558825383 /nfs/dbraw/zinc/82/53/83/558825383.db2.gz TWOGFEZVVKEUDZ-UHFFFAOYSA-N 0 1 423.498 3.200 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013570663 558844388 /nfs/dbraw/zinc/84/43/88/558844388.db2.gz BJIMUHVQAXALFM-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN C=CCN1C(=O)NC(=O)C(=C(C)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000101038501 560767057 /nfs/dbraw/zinc/76/70/57/560767057.db2.gz GCSCUFNGHOCFPT-HEHNFIMWSA-N 0 1 403.482 3.337 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c1 ZINC000102538791 560814039 /nfs/dbraw/zinc/81/40/39/560814039.db2.gz FXDZXAXRWZOJOA-NHFXJNLRSA-N 0 1 401.422 3.107 50 30 HGEAMN COc1ccc([C@@H]2NC(=O)C(=O)C2C(=O)c2ccc(Br)cc2)cc1OC ZINC000102803055 560826469 /nfs/dbraw/zinc/82/64/69/560826469.db2.gz XVCUPLSEKKNKKH-UYTDBDHRSA-N 0 1 418.243 3.176 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000102801228 560828663 /nfs/dbraw/zinc/82/86/63/560828663.db2.gz QACOLBPSUBAUKV-UGYXAWDVSA-N 0 1 423.465 3.305 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccncc1 ZINC000102869940 560832804 /nfs/dbraw/zinc/83/28/04/560832804.db2.gz NOYODMYIXVTPMD-NHFXJNLRSA-N 0 1 410.470 3.327 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 ZINC000102925185 560834237 /nfs/dbraw/zinc/83/42/37/560834237.db2.gz PHJSZPMLOACCKO-WOOAAIBNSA-N 0 1 405.410 3.403 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102930910 560835456 /nfs/dbraw/zinc/83/54/56/560835456.db2.gz GRDDLBHKOHOWJZ-UYTDBDHRSA-N 0 1 422.422 3.381 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000102935244 560835655 /nfs/dbraw/zinc/83/56/55/560835655.db2.gz CWVNIWKQCCELTN-CEKHLOFYSA-N 0 1 409.438 3.002 50 30 HGEAMN C#CCOC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984642 560859185 /nfs/dbraw/zinc/85/91/85/560859185.db2.gz NBQITXLQAONDQJ-FGZHOGPDSA-N 0 1 412.917 3.346 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000012311665 560884571 /nfs/dbraw/zinc/88/45/71/560884571.db2.gz JMTMILMEJLDPET-LMMKCTJWSA-N 0 1 415.497 3.167 50 30 HGEAMN O=S(=O)(c1cccs1)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310045 568724243 /nfs/dbraw/zinc/72/42/43/568724243.db2.gz TWTPGKSQGPHZGA-LJQANCHMSA-N 0 1 417.560 3.155 50 30 biogenic HGEAMN O=C(Nc1nnc(/N=C/c2cccs2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003227416 568864175 /nfs/dbraw/zinc/86/41/75/568864175.db2.gz CIDYVOKIASJDFY-VIZOYTHASA-N 0 1 404.389 3.419 50 30 HGEAMN C=C(Cl)COc1nc2cc(OC)c(OC)cc2cc1CN[C@@H](CC(C)C)C(N)=O ZINC000059314256 568931178 /nfs/dbraw/zinc/93/11/78/568931178.db2.gz FCRVKIZBLTUZJM-KRWDZBQOSA-N 0 1 421.925 3.373 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000018029692 569006055 /nfs/dbraw/zinc/00/60/55/569006055.db2.gz GVWXBDUVBLTWCK-NRFANRHFSA-N 0 1 424.472 3.126 50 30 HGEAMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000225519972 569405584 /nfs/dbraw/zinc/40/55/84/569405584.db2.gz XDDDSUSLMDGNRB-HBMCJLEFSA-N 0 1 407.518 3.088 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3ccncc3)ccc2O1 ZINC000238900230 571046658 /nfs/dbraw/zinc/04/66/58/571046658.db2.gz IBJSSLZMMNXSDI-IQVOZAENSA-N 0 1 420.465 3.162 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008905085 571145757 /nfs/dbraw/zinc/14/57/57/571145757.db2.gz SVSZRGSROVWWPL-JBCNATCCSA-N 0 1 424.472 3.374 50 30 HGEAMN C=C(C)COc1cc2oc(=O)c(CC(=O)NCCc3cnc[nH]3)c(C)c2cc1Cl ZINC000009060294 571217276 /nfs/dbraw/zinc/21/72/76/571217276.db2.gz HYOZYSGYIILUNM-UHFFFAOYSA-N 0 1 415.877 3.334 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O ZINC000009088174 571220119 /nfs/dbraw/zinc/22/01/19/571220119.db2.gz IEXNLLNPYQLZFU-HMMYKYKNSA-N 0 1 401.466 3.287 50 30 HGEAMN C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3[nH]nnc3c2)cc1OC ZINC000032719509 519034459 /nfs/dbraw/zinc/03/44/59/519034459.db2.gz JWWMGEGXFXNYIY-GOSISDBHSA-N 0 1 422.485 3.353 50 30 HGEAMN CCOc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O ZINC000001184552 520643472 /nfs/dbraw/zinc/64/34/72/520643472.db2.gz ISHFFRMECJGYAZ-ZVBGSRNCSA-N 0 1 414.443 3.232 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000018061107 525218578 /nfs/dbraw/zinc/21/85/78/525218578.db2.gz HIJHKAGKOMPAQJ-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)cc(Br)c2O)n1 ZINC000001212226 557243964 /nfs/dbraw/zinc/24/39/64/557243964.db2.gz KDCKYKDYZDXZHG-CNHKJKLMSA-N 0 1 409.675 3.393 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O ZINC000004009322 557504783 /nfs/dbraw/zinc/50/47/83/557504783.db2.gz BFHMAPBOAGGVDZ-XOBRGWDASA-N 0 1 411.454 3.058 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OC)c1 ZINC000004019556 557505659 /nfs/dbraw/zinc/50/56/59/557505659.db2.gz SPAZVEMDVPHEKY-SZNDQCEHSA-N 0 1 423.465 3.243 50 30 HGEAMN COc1ccc(CC(=N)NOC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000005092609 557634912 /nfs/dbraw/zinc/63/49/12/557634912.db2.gz NBXRCXHVYYZJML-UHFFFAOYSA-N 0 1 407.264 3.203 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000006196023 557693778 /nfs/dbraw/zinc/69/37/78/557693778.db2.gz JDTJIRZREIONQC-FQEVSTJZSA-N 0 1 411.454 3.406 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000008836928 557811466 /nfs/dbraw/zinc/81/14/66/557811466.db2.gz SGTZEFCORPMJNC-QGZVFWFLSA-N 0 1 420.356 3.307 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000019939178 558313189 /nfs/dbraw/zinc/31/31/89/558313189.db2.gz WUQOHPHWAZFJCE-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000019939178 558313190 /nfs/dbraw/zinc/31/31/90/558313190.db2.gz WUQOHPHWAZFJCE-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OC)cc1 ZINC000016700361 558801542 /nfs/dbraw/zinc/80/15/42/558801542.db2.gz CMETWSUYYPYMEF-FQEVSTJZSA-N 0 1 411.454 3.237 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000017112736 558822778 /nfs/dbraw/zinc/82/27/78/558822778.db2.gz MPNUFQPWRCQRCK-HXUWFJFHSA-N 0 1 409.486 3.009 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1C ZINC000017124237 558823331 /nfs/dbraw/zinc/82/33/31/558823331.db2.gz WEHOXPUKKQOCMM-OAQYLSRUSA-N 0 1 424.497 3.152 50 30 HGEAMN C=CCSc1nnc([C@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)n1C ZINC000299766829 558841650 /nfs/dbraw/zinc/84/16/50/558841650.db2.gz SITURGQVSLAHAE-HNNXBMFYSA-N 0 1 418.563 3.499 50 30 HGEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2cccc(Cl)c2)NCCc2c[nH]cn2)n1 ZINC000004818568 559118235 /nfs/dbraw/zinc/11/82/35/559118235.db2.gz IRAVTVSCRDJHSW-UHFFFAOYSA-N 0 1 412.885 3.302 50 30 HGEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)OC)CCN(C)C3)c1O ZINC000004852178 559191344 /nfs/dbraw/zinc/19/13/44/559191344.db2.gz VBVIIJNKNVJMMR-AWQFTUOYSA-N 0 1 419.459 3.286 50 30 HGEAMN Oc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1n[nH]c2c1CCC2 ZINC000005626211 560634092 /nfs/dbraw/zinc/63/40/92/560634092.db2.gz NECDVUAAESMEAO-REZTVBANSA-N 0 1 405.281 3.170 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000101313403 560791503 /nfs/dbraw/zinc/79/15/03/560791503.db2.gz KRPGDJGEQLAZSR-JBCNATCCSA-N 0 1 424.472 3.374 50 30 HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)s1 ZINC000102494231 560812309 /nfs/dbraw/zinc/81/23/09/560812309.db2.gz BSDHRHOZMHSOKD-UYTDBDHRSA-N 0 1 419.934 3.397 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102511609 560815165 /nfs/dbraw/zinc/81/51/65/560815165.db2.gz FJLPHTHWSPZEAK-SELCWUDQSA-N 0 1 410.382 3.225 50 30 HGEAMN Cn1c([O-])c(/C(=N/c2ccccc2)SCc2ccccc2Cl)c(=O)n(C)c1=O ZINC000102646458 560819766 /nfs/dbraw/zinc/81/97/66/560819766.db2.gz YKAJIFJFHXKCIC-XLNRJJMWSA-N 0 1 415.902 3.455 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000102750703 560825531 /nfs/dbraw/zinc/82/55/31/560825531.db2.gz QMRHVSINDISLJT-NHFXJNLRSA-N 0 1 420.444 3.193 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 ZINC000102804955 560826966 /nfs/dbraw/zinc/82/69/66/560826966.db2.gz DVOBLRIXOUQFDM-YDJIHCHBSA-N 0 1 411.454 3.162 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC)cc1 ZINC000103990786 560846544 /nfs/dbraw/zinc/84/65/44/560846544.db2.gz OYEDTMIZARQNEE-YHSLPNTHSA-N 0 1 423.465 3.087 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OC)cc1 ZINC000103990793 560846547 /nfs/dbraw/zinc/84/65/47/560846547.db2.gz OYEDTMIZARQNEE-ZFGYKHQWSA-N 0 1 423.465 3.087 50 30 HGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000020229968 568595207 /nfs/dbraw/zinc/59/52/07/568595207.db2.gz IRIZLRHSBXIREG-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C)cc1 ZINC000020358150 568600504 /nfs/dbraw/zinc/60/05/04/568600504.db2.gz IKOVHLOQFMOGGQ-OAQYLSRUSA-N 0 1 418.497 3.091 50 30 HGEAMN C=CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000011783817 568992198 /nfs/dbraw/zinc/99/21/98/568992198.db2.gz JZDPBWRAGOUJGS-HXUWFJFHSA-N 0 1 411.550 3.125 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccnc1 ZINC000018030218 569006083 /nfs/dbraw/zinc/00/60/83/569006083.db2.gz CPQUDTJAWACLLP-FQEVSTJZSA-N 0 1 410.470 3.402 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000016138353 569029426 /nfs/dbraw/zinc/02/94/26/569029426.db2.gz VLRZKAGVWOAUNQ-UNOMPAQXSA-N 0 1 403.413 3.477 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000017180240 569062848 /nfs/dbraw/zinc/06/28/48/569062848.db2.gz SHDXRPFOIJCMMZ-HXUWFJFHSA-N 0 1 411.454 3.324 50 30 biogenic HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)s1 ZINC000006812794 569136700 /nfs/dbraw/zinc/13/67/00/569136700.db2.gz BFRLBIDDZOTIIE-MRXNPFEDSA-N 0 1 403.479 3.039 50 30 HGEAMN COC(=O)c1ccc(COc2cccc(C=Nn3c(=S)[nH]nc3C(F)F)c2)o1 ZINC000008486627 571055354 /nfs/dbraw/zinc/05/53/54/571055354.db2.gz FDPOELIFTONNDK-DNTJNYDQSA-N 0 1 408.386 3.345 50 30 HGEAMN COc1ccc2nc(SCC(=O)N(CCC#N)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000009349372 571250599 /nfs/dbraw/zinc/25/05/99/571250599.db2.gz GMTWYEBIZCJWAJ-UHFFFAOYSA-N 0 1 424.482 3.382 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009358585 571251388 /nfs/dbraw/zinc/25/13/88/571251388.db2.gz JYOCBOZYLLLUCE-HXUWFJFHSA-N 0 1 409.438 3.182 50 30 HGEAMN C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3[nH]nnc3c2)cc1OC ZINC000032719507 519034103 /nfs/dbraw/zinc/03/41/03/519034103.db2.gz JWWMGEGXFXNYIY-SFHVURJKSA-N 0 1 422.485 3.353 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)cc1 ZINC000024192957 521753979 /nfs/dbraw/zinc/75/39/79/521753979.db2.gz ORNRTPBXCLXZIK-FQEVSTJZSA-N 0 1 406.438 3.278 50 30 HGEAMN COc1ccc(OC)c(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c1 ZINC000020573739 524799947 /nfs/dbraw/zinc/79/99/47/524799947.db2.gz 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O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000008838262 557811734 /nfs/dbraw/zinc/81/17/34/557811734.db2.gz KCISJCAAFLLEOV-KRWDZBQOSA-N 0 1 420.356 3.307 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009301974 557835246 /nfs/dbraw/zinc/83/52/46/557835246.db2.gz WAJRNFIURXYCFR-KRWDZBQOSA-N 0 1 416.817 3.473 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020230117 558349773 /nfs/dbraw/zinc/34/97/73/558349773.db2.gz OEVYFYCRVISMSN-OAQYLSRUSA-N 0 1 406.482 3.391 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000020229902 558349807 /nfs/dbraw/zinc/34/98/07/558349807.db2.gz ASRIKPSTSVCHLI-NRFANRHFSA-N 0 1 406.482 3.391 50 30 HGEAMN O=C([N-]S(=O)(=O)Oc1ccc(Cl)cc1F)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000015306093 558731398 /nfs/dbraw/zinc/73/13/98/558731398.db2.gz DRXWYFJXPPFMLP-DOMZBBRYSA-N 0 1 420.890 3.298 50 30 HGEAMN 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ZINC000009185756 571234926 /nfs/dbraw/zinc/23/49/26/571234926.db2.gz NHEYQZXOONZWFR-SFHVURJKSA-N 0 1 410.382 3.376 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000009361382 571251589 /nfs/dbraw/zinc/25/15/89/571251589.db2.gz ZJVDDTHGCZQGKQ-SPLOXXLWSA-N 0 1 423.465 3.330 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2cccc(Cl)c2)cc1F ZINC000009969640 571293219 /nfs/dbraw/zinc/29/32/19/571293219.db2.gz LMIOIKOBEBXCMH-GOSISDBHSA-N 0 1 419.836 3.448 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1Cl ZINC000102520520 520843942 /nfs/dbraw/zinc/84/39/42/520843942.db2.gz MDGGYDWLCJAAPA-SELCWUDQSA-N 0 1 418.877 3.315 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000009087399 526267772 /nfs/dbraw/zinc/26/77/72/526267772.db2.gz FYRFDIPVZRLVEN-MRXNPFEDSA-N 0 1 420.234 3.159 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)c(OC)c1 ZINC000000853435 557101848 /nfs/dbraw/zinc/10/18/48/557101848.db2.gz ZUXMLXWDUYMYSC-UTKZUKDTSA-N 0 1 423.465 3.461 50 30 HGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccncc3)ccc2O1 ZINC000004114976 557515348 /nfs/dbraw/zinc/51/53/48/557515348.db2.gz IBJSSLZMMNXSDI-DHUIEDIVSA-N 0 1 420.465 3.162 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000006600463 557709749 /nfs/dbraw/zinc/70/97/49/557709749.db2.gz JDTJIRZREIONQC-HXUWFJFHSA-N 0 1 411.454 3.406 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000008904827 557813683 /nfs/dbraw/zinc/81/36/83/557813683.db2.gz KCISJCAAFLLEOV-QGZVFWFLSA-N 0 1 420.356 3.307 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000009088731 557822548 /nfs/dbraw/zinc/82/25/48/557822548.db2.gz FYRFDIPVZRLVEN-INIZCTEOSA-N 0 1 420.234 3.159 50 30 HGEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1 ZINC000019973899 558316800 /nfs/dbraw/zinc/31/68/00/558316800.db2.gz VCXMGMUSWNPPNW-HXUWFJFHSA-N 0 1 409.486 3.010 50 30 HGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999595 558317828 /nfs/dbraw/zinc/31/78/28/558317828.db2.gz HWNBEBPBXBGPFE-IBGZPJMESA-N 0 1 412.511 3.453 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1OC ZINC000012970154 558488682 /nfs/dbraw/zinc/48/86/82/558488682.db2.gz RJDIECCPVBIFBX-FQEVSTJZSA-N 0 1 411.454 3.237 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000012970076 558488687 /nfs/dbraw/zinc/48/86/87/558488687.db2.gz UYHYEBJJFLUVGL-SFHVURJKSA-N 0 1 405.385 3.407 50 30 HGEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000017138004 558823568 /nfs/dbraw/zinc/82/35/68/558823568.db2.gz ZXRRXGZYKPEPQZ-QFIPXVFZSA-N 0 1 420.509 3.296 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1Cl ZINC000017179724 558824905 /nfs/dbraw/zinc/82/49/05/558824905.db2.gz MMCHPYSNWOKPAQ-SFHVURJKSA-N 0 1 418.877 3.472 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018068496 558830437 /nfs/dbraw/zinc/83/04/37/558830437.db2.gz WRKZAZVWAIIFGB-IEBWSBKVSA-N 0 1 408.410 3.352 50 30 HGEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)n1 ZINC000013692636 558856066 /nfs/dbraw/zinc/85/60/66/558856066.db2.gz NFWOFRKOQDWQQT-NRFANRHFSA-N 0 1 422.529 3.357 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000013730359 558861025 /nfs/dbraw/zinc/86/10/25/558861025.db2.gz UCTOVHZEKRWELH-FQEVSTJZSA-N 0 1 420.444 3.350 50 30 HGEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)cc2)NCCc2c[nH]cn2)n1 ZINC000004818567 559118215 /nfs/dbraw/zinc/11/82/15/559118215.db2.gz PSFNYXJQBMZYCJ-UHFFFAOYSA-N 0 1 412.885 3.302 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)c1 ZINC000013212846 559280637 /nfs/dbraw/zinc/28/06/37/559280637.db2.gz VHCZUVFRCBRXNM-FQEVSTJZSA-N 0 1 401.422 3.264 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000017746740 560725346 /nfs/dbraw/zinc/72/53/46/560725346.db2.gz ZNHUHJRIVIWLDP-FQEVSTJZSA-N 0 1 411.454 3.406 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)c1 ZINC000102493056 560812250 /nfs/dbraw/zinc/81/22/50/560812250.db2.gz MPABRQLJLOWURY-NHFXJNLRSA-N 0 1 401.422 3.107 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000102522449 560816010 /nfs/dbraw/zinc/81/60/10/560816010.db2.gz XBXVQIVFYJNHNS-NHFXJNLRSA-N 0 1 412.461 3.126 50 30 HGEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccco2)nc1C ZINC000102879679 560833631 /nfs/dbraw/zinc/83/36/31/560833631.db2.gz NZJDYEMHMKUKJL-IDTYTIONSA-N 0 1 424.434 3.457 50 30 HGEAMN CC1(C)CC(=O)C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1 ZINC000003257695 568868609 /nfs/dbraw/zinc/86/86/09/568868609.db2.gz FSOUABPYGJHILI-UHFFFAOYSA-N 0 1 405.501 3.198 50 30 HGEAMN NC(=NN=Cc1ccco1)Sc1cc(O)n(-c2cc(Cl)ccc2Cl)c1O ZINC000004017528 568877267 /nfs/dbraw/zinc/87/72/67/568877267.db2.gz MIHTUHFTLRMGTO-NXSNIQIJSA-N 0 1 411.270 3.300 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000013131068 568997672 /nfs/dbraw/zinc/99/76/72/568997672.db2.gz KDCMMDSMXDJZQG-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000013131068 568997673 /nfs/dbraw/zinc/99/76/73/568997673.db2.gz KDCMMDSMXDJZQG-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN NC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000015906319 569020586 /nfs/dbraw/zinc/02/05/86/569020586.db2.gz MFNWIPABVHIGDT-CLCOLTQESA-N 0 1 400.398 3.349 50 30 HGEAMN C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)c1 ZINC000006753201 569111767 /nfs/dbraw/zinc/11/17/67/569111767.db2.gz RFJHRCJQXDTBGM-JOCHJYFZSA-N 0 1 405.454 3.193 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006812682 569136683 /nfs/dbraw/zinc/13/66/83/569136683.db2.gz KOIXPGCSJZUQFM-JBCNATCCSA-N 0 1 420.465 3.425 50 30 HGEAMN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1 ZINC000019929605 569281925 /nfs/dbraw/zinc/28/19/25/569281925.db2.gz XGOJYWJCPLXOME-OAQYLSRUSA-N 0 1 423.513 3.317 50 30 HGEAMN C=CCO[C@@H](C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000078878784 569421327 /nfs/dbraw/zinc/42/13/27/569421327.db2.gz WPIFUEYWIXUPGE-ZDUSSCGKSA-N 0 1 401.467 3.026 50 30 HGEAMN C=CCO[C@@H](C)C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000078878784 569421329 /nfs/dbraw/zinc/42/13/29/569421329.db2.gz WPIFUEYWIXUPGE-ZDUSSCGKSA-N 0 1 401.467 3.026 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009068682 571218215 /nfs/dbraw/zinc/21/82/15/571218215.db2.gz PMQWOXADWIRAGO-CTNGQTDRSA-N 0 1 423.465 3.461 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009067805 571218244 /nfs/dbraw/zinc/21/82/44/571218244.db2.gz ZAVDZSVJTPOYPP-MRJHHRETSA-N 0 1 424.472 3.374 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009242599 571241024 /nfs/dbraw/zinc/24/10/24/571241024.db2.gz BANTZRXWPPODQG-GOSISDBHSA-N 0 1 410.382 3.463 50 30 HGEAMN CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000009659763 571277011 /nfs/dbraw/zinc/27/70/11/571277011.db2.gz GORNQSBZZYDJBC-YBEGLDIGSA-N 0 1 422.510 3.388 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000102801230 525214586 /nfs/dbraw/zinc/21/45/86/525214586.db2.gz QACOLBPSUBAUKV-BQHDEFSVSA-N 0 1 423.465 3.305 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102681705 525514540 /nfs/dbraw/zinc/51/45/40/525514540.db2.gz CMXLQCWLSHTVMJ-FEETXENISA-N 0 1 424.472 3.132 50 30 HGEAMN CCCS(=O)(=O)c1csc(C(=O)OC)c1[N-][NH+]=Cc1ccc(N(C)C)cc1 ZINC000004347503 557544576 /nfs/dbraw/zinc/54/45/76/557544576.db2.gz GFMXEESKVHJIFL-YBFXNURJSA-N 0 1 409.533 3.230 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008817957 557809844 /nfs/dbraw/zinc/80/98/44/557809844.db2.gz SMHUKIXONSLMGZ-GOSISDBHSA-N 0 1 416.393 3.476 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c1 ZINC000004333747 558263638 /nfs/dbraw/zinc/26/36/38/558263638.db2.gz LXKGZPQIRBOLRH-FQEVSTJZSA-N 0 1 401.422 3.264 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057181 558328650 /nfs/dbraw/zinc/32/86/50/558328650.db2.gz BGXNCYQOIXTORN-GOSISDBHSA-N 0 1 400.500 3.287 50 30 HGEAMN Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCN(C)CC3)c3ccccc23)cc1 ZINC000020533198 558384211 /nfs/dbraw/zinc/38/42/11/558384211.db2.gz NAYOOOHSQIKNBS-HRBBJJPOSA-N 0 1 417.553 3.454 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]cn2)c1 ZINC000012371543 558389650 /nfs/dbraw/zinc/38/96/50/558389650.db2.gz HGMCFLYXQSKMLN-FQEVSTJZSA-N 0 1 421.428 3.378 50 30 HGEAMN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ncnc2c1cnn2-c1ccccc1 ZINC000013302268 558529619 /nfs/dbraw/zinc/52/96/19/558529619.db2.gz XRQJIRUIUMXTLR-UHFFFAOYSA-N 0 1 400.358 3.142 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000017112671 558822770 /nfs/dbraw/zinc/82/27/70/558822770.db2.gz HKYFOPXKTRLTLF-HXUWFJFHSA-N 0 1 411.454 3.324 50 30 biogenic HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000017145465 558823857 /nfs/dbraw/zinc/82/38/57/558823857.db2.gz HQARFKLUEVTFLW-OAQYLSRUSA-N 0 1 424.497 3.234 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000017145466 558823876 /nfs/dbraw/zinc/82/38/76/558823876.db2.gz HQARFKLUEVTFLW-NRFANRHFSA-N 0 1 424.497 3.234 50 30 HGEAMN C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000004660648 558873588 /nfs/dbraw/zinc/87/35/88/558873588.db2.gz CORWTXQSIGZDPB-UHFFFAOYSA-N 0 1 417.494 3.420 50 30 HGEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)n1 ZINC000585145581 559053146 /nfs/dbraw/zinc/05/31/46/559053146.db2.gz KOEUBWROMMQBRM-UHFFFAOYSA-N 0 1 422.470 3.410 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000005576888 560624749 /nfs/dbraw/zinc/62/47/49/560624749.db2.gz BMBMKUVWTAKSBS-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000005576888 560624750 /nfs/dbraw/zinc/62/47/50/560624750.db2.gz BMBMKUVWTAKSBS-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccnc1 ZINC000102564519 560816438 /nfs/dbraw/zinc/81/64/38/560816438.db2.gz QTQQLLWHIICSKT-YDJIHCHBSA-N 0 1 410.470 3.185 50 30 HGEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000102550882 560817921 /nfs/dbraw/zinc/81/79/21/560817921.db2.gz KBQMYTWLQMKUFL-JBCNATCCSA-N 0 1 423.513 3.244 50 30 HGEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102647672 560818995 /nfs/dbraw/zinc/81/89/95/560818995.db2.gz FFVCHWSYPFFTMT-OCOBEBHTSA-N 0 1 412.511 3.415 50 30 HGEAMN Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102732555 560822590 /nfs/dbraw/zinc/82/25/90/560822590.db2.gz WJSXUAOYNLXRSL-GROYHEBESA-N 0 1 409.354 3.419 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102720203 560823518 /nfs/dbraw/zinc/82/35/18/560823518.db2.gz XDICYHPDMDBYTE-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102874803 560830414 /nfs/dbraw/zinc/83/04/14/560830414.db2.gz LHSKBOMDAUCTKR-WMZGQSCCSA-N 0 1 423.465 3.305 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102878386 560833559 /nfs/dbraw/zinc/83/35/59/560833559.db2.gz HIRNIIDINWZAOS-JBCNATCCSA-N 0 1 424.497 3.077 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102928661 560834546 /nfs/dbraw/zinc/83/45/46/560834546.db2.gz WVLDHOYUEWZWPQ-GROYHEBESA-N 0 1 416.817 3.316 50 30 HGEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102930695 560835402 /nfs/dbraw/zinc/83/54/02/560835402.db2.gz YTGAPFKRESYPEE-UYTDBDHRSA-N 0 1 422.422 3.381 50 30 HGEAMN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000002726609 568804131 /nfs/dbraw/zinc/80/41/31/568804131.db2.gz IIOAVJKALSMRSR-MRXNPFEDSA-N 0 1 408.325 3.381 50 30 HGEAMN CCOC(=O)c1cc(C#N)c(Sc2n[nH]c(C(F)(F)F)n2)nc1C(F)(F)F ZINC000003129614 568856693 /nfs/dbraw/zinc/85/66/93/568856693.db2.gz WQIRGPAQZYYZHS-UHFFFAOYSA-N 0 1 411.287 3.437 50 30 HGEAMN N#Cc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025686472 568908942 /nfs/dbraw/zinc/90/89/42/568908942.db2.gz HYGSRSFFVLOLQE-IBGZPJMESA-N 0 1 405.420 3.139 50 30 HGEAMN O=S(=O)(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000004155219 568947134 /nfs/dbraw/zinc/94/71/34/568947134.db2.gz SQVLVUFERXBJGB-UHFFFAOYSA-N 0 1 422.348 3.379 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1F ZINC000012467993 568991335 /nfs/dbraw/zinc/99/13/35/568991335.db2.gz GANSNRWIWDDVPU-FQEVSTJZSA-N 0 1 419.412 3.403 50 30 HGEAMN COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CCN([C@@H](C)CC(C)C)CC1 ZINC000065308257 569220167 /nfs/dbraw/zinc/22/01/67/569220167.db2.gz FYRPMXHWUZFCPW-SFHVURJKSA-N 0 1 404.555 3.051 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000008905088 571145785 /nfs/dbraw/zinc/14/57/85/571145785.db2.gz SVSZRGSROVWWPL-MRJHHRETSA-N 0 1 424.472 3.374 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1Cl ZINC000009007765 571210115 /nfs/dbraw/zinc/21/01/15/571210115.db2.gz LUXCJJDCUNLYBA-HVESIFNPSA-N 0 1 420.918 3.393 50 30 HGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000009271060 571244359 /nfs/dbraw/zinc/24/43/59/571244359.db2.gz NTEZRNYDLOSIKK-SFHVURJKSA-N 0 1 424.526 3.153 50 30 HGEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000009271060 571244361 /nfs/dbraw/zinc/24/43/61/571244361.db2.gz NTEZRNYDLOSIKK-SFHVURJKSA-N 0 1 424.526 3.153 50 30 HGEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677534 518727387 /nfs/dbraw/zinc/72/73/87/518727387.db2.gz ARHBIXFNNFPXHS-SFHVURJKSA-N 0 1 418.925 3.025 50 30 HGEAMN N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040284522 526474269 /nfs/dbraw/zinc/47/42/69/526474269.db2.gz MZMNUVWSJMAHQO-JOCHJYFZSA-N 0 1 404.470 3.014 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OC)c1 ZINC000004019557 557505673 /nfs/dbraw/zinc/50/56/73/557505673.db2.gz SPAZVEMDVPHEKY-QKKBWIMNSA-N 0 1 423.465 3.243 50 30 HGEAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1Br ZINC000004739251 557590205 /nfs/dbraw/zinc/59/02/05/557590205.db2.gz OYLCIXQPCHSBFV-AINDZBIGSA-N 0 1 402.273 3.216 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O ZINC000005408524 557651649 /nfs/dbraw/zinc/65/16/49/557651649.db2.gz BFHMAPBOAGGVDZ-VLIAUNLRSA-N 0 1 411.454 3.058 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000008968640 557816781 /nfs/dbraw/zinc/81/67/81/557816781.db2.gz XKJDMNFZVFASSM-INIZCTEOSA-N 0 1 420.234 3.159 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000013042839 558508119 /nfs/dbraw/zinc/50/81/19/558508119.db2.gz HKYFOPXKTRLTLF-FQEVSTJZSA-N 0 1 411.454 3.324 50 30 biogenic HGEAMN Oc1ccc2ccccc2c1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000004477998 558598605 /nfs/dbraw/zinc/59/86/05/558598605.db2.gz AVSIZFHLTGJXAA-HZHRSRAPSA-N 0 1 403.490 3.377 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017145983 558823915 /nfs/dbraw/zinc/82/39/15/558823915.db2.gz PEKLZXPOPAPIRN-LJQANCHMSA-N 0 1 409.442 3.043 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005565254 560616052 /nfs/dbraw/zinc/61/60/52/560616052.db2.gz CYHRAGHBKCOFRE-MRJHHRETSA-N 0 1 408.498 3.377 50 30 HGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000005595836 560628544 /nfs/dbraw/zinc/62/85/44/560628544.db2.gz LPNDFGAAYNPOJH-YDJIHCHBSA-N 0 1 412.486 3.359 50 30 HGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)cc1 ZINC000017249322 560704919 /nfs/dbraw/zinc/70/49/19/560704919.db2.gz XCBBYZAQGMIJOD-FQEVSTJZSA-N 0 1 410.470 3.485 50 30 HGEAMN O=C(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)N1CC[NH+]1CCCCC1 ZINC000101459222 560794912 /nfs/dbraw/zinc/79/49/12/560794912.db2.gz NFFNGLADJZSKIO-UHFFFAOYSA-N 0 1 412.511 3.286 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)c(OC)c1 ZINC000102745551 560823947 /nfs/dbraw/zinc/82/39/47/560823947.db2.gz NGWYNTXXHMBFQD-HVESIFNPSA-N 0 1 423.450 3.182 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102804565 560826955 /nfs/dbraw/zinc/82/69/55/560826955.db2.gz XZRASKOXVGHHDN-SELCWUDQSA-N 0 1 410.382 3.220 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccc(Br)cc1 ZINC000102801774 560828744 /nfs/dbraw/zinc/82/87/44/560828744.db2.gz WEJWFJQTKOCPNX-GROYHEBESA-N 0 1 416.271 3.253 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102888590 560832810 /nfs/dbraw/zinc/83/28/10/560832810.db2.gz SHDMWGKQOLEQBA-JBCNATCCSA-N 0 1 424.497 3.163 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102928665 560834553 /nfs/dbraw/zinc/83/45/53/560834553.db2.gz WVLDHOYUEWZWPQ-HVESIFNPSA-N 0 1 416.817 3.316 50 30 HGEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C)cc1 ZINC000020358149 568600456 /nfs/dbraw/zinc/60/04/56/568600456.db2.gz IKOVHLOQFMOGGQ-NRFANRHFSA-N 0 1 418.497 3.091 50 30 HGEAMN CCCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O ZINC000003045479 568848853 /nfs/dbraw/zinc/84/88/53/568848853.db2.gz LBDDGWIGTNESOR-UHFFFAOYSA-N 0 1 421.563 3.259 50 30 HGEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C#N)cc2)n1 ZINC000003236387 568865692 /nfs/dbraw/zinc/86/56/92/568865692.db2.gz KZCOAUQNANQZMS-UHFFFAOYSA-N 0 1 422.470 3.410 50 30 HGEAMN C#CCN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000215327935 568909836 /nfs/dbraw/zinc/90/98/36/568909836.db2.gz ISDBERHJOBRQPD-UHFFFAOYSA-N 0 1 403.282 3.180 50 30 HGEAMN COc1cccc(CN2CCC[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)cc3)C2)c1 ZINC000014976478 569004236 /nfs/dbraw/zinc/00/42/36/569004236.db2.gz UFWQIJXMRPEJGC-JOCHJYFZSA-N 0 1 406.526 3.212 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nncs2)ccc1O ZINC000001767212 569052228 /nfs/dbraw/zinc/05/22/28/569052228.db2.gz HIRGXXPHWJUVDY-CQSZACIVSA-N 0 1 415.452 3.097 50 30 HGEAMN COc1ccc2[nH]c3c(ncn(/N=C/c4cccc(Br)c4O)c3=O)c2c1 ZINC000002274949 569327771 /nfs/dbraw/zinc/32/77/71/569327771.db2.gz FUBYOQZPNQUNCO-ODCIPOBUSA-N 0 1 413.231 3.237 50 30 HGEAMN C=CCOC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146975 518988720 /nfs/dbraw/zinc/98/87/20/518988720.db2.gz DGCFHJJFJWNOFP-GMAHTHKFSA-N 0 1 410.514 3.254 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102485686 520773076 /nfs/dbraw/zinc/77/30/76/520773076.db2.gz FJDJXIFOFDWNEM-YDJIHCHBSA-N 0 1 411.454 3.249 50 30 HGEAMN COc1ccc(/C=C2/Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)cc1OC ZINC000037857488 523412288 /nfs/dbraw/zinc/41/22/88/523412288.db2.gz HQSVJEUDXNOCNK-FYJGNVAPSA-N 0 1 424.497 3.081 50 30 HGEAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)n1 ZINC000052778636 524277040 /nfs/dbraw/zinc/27/70/40/524277040.db2.gz XAKXVHLTZXOZCV-ZDUSSCGKSA-N 0 1 407.430 3.130 50 30 HGEAMN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN3CCOCC3)C1=O)cn2C ZINC000028182443 525599847 /nfs/dbraw/zinc/59/98/47/525599847.db2.gz UFCVZPCLWDUVFE-JJFYIABZSA-N 0 1 420.465 3.341 50 30 HGEAMN COc1cccc(/C=C2/Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c1OC ZINC000037858141 525766142 /nfs/dbraw/zinc/76/61/42/525766142.db2.gz WJWNIXXFVRYMRJ-DEDYPNTBSA-N 0 1 424.497 3.081 50 30 HGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000000703098 557062755 /nfs/dbraw/zinc/06/27/55/557062755.db2.gz LIOHIAIWWGHKBB-UWJYYQICSA-N 0 1 421.449 3.215 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCOC)ccc1O ZINC000004427194 557554423 /nfs/dbraw/zinc/55/44/23/557554423.db2.gz MQBFCAUGQVHNFH-FQEVSTJZSA-N 0 1 411.454 3.324 50 30 HGEAMN Cc1ccc2oc(=O)n(CCC(=N)NOC(=O)c3ccc(C(F)(F)F)nc3C)c2c1 ZINC000008636608 557797778 /nfs/dbraw/zinc/79/77/78/557797778.db2.gz RKQCPKNXSFCKEH-UHFFFAOYSA-N 0 1 422.363 3.144 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000008743980 557804408 /nfs/dbraw/zinc/80/44/08/557804408.db2.gz XQIAKEXZEMSQOT-SFHVURJKSA-N 0 1 410.382 3.376 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019898770 558304641 /nfs/dbraw/zinc/30/46/41/558304641.db2.gz XTIAFXZJBDZMPC-JOCHJYFZSA-N 0 1 420.509 3.214 50 30 HGEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1 ZINC000019973905 558316890 /nfs/dbraw/zinc/31/68/90/558316890.db2.gz UVVJRJIPNRCGRC-FQEVSTJZSA-N 0 1 409.486 3.010 50 30 HGEAMN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000020154634 558342192 /nfs/dbraw/zinc/34/21/92/558342192.db2.gz NXYZVWAPGPEXGW-RYUDHWBXSA-N 0 1 414.439 3.375 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020230459 558350173 /nfs/dbraw/zinc/35/01/73/558350173.db2.gz SISCMRJTOSCCCS-OAQYLSRUSA-N 0 1 406.482 3.391 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013003389 558501357 /nfs/dbraw/zinc/50/13/57/558501357.db2.gz XDMRMOYQRJYLFG-HXUWFJFHSA-N 0 1 410.470 3.293 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1OC ZINC000017138328 558823776 /nfs/dbraw/zinc/82/37/76/558823776.db2.gz GGEKJGDALHLWEO-FQEVSTJZSA-N 0 1 411.454 3.237 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017747677 558827727 /nfs/dbraw/zinc/82/77/27/558827727.db2.gz WRKZAZVWAIIFGB-HKUYNNGSSA-N 0 1 408.410 3.352 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(O)c2)cc1 ZINC000018008100 560743837 /nfs/dbraw/zinc/74/38/37/560743837.db2.gz RWEIJBHZXQLBOG-AZUAARDMSA-N 0 1 409.438 3.158 50 30 HGEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101062488 560768944 /nfs/dbraw/zinc/76/89/44/560768944.db2.gz VUJAYWXALIEEBL-IDTYTIONSA-N 0 1 417.215 3.409 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102485694 560811788 /nfs/dbraw/zinc/81/17/88/560811788.db2.gz FJDJXIFOFDWNEM-NHFXJNLRSA-N 0 1 411.454 3.249 50 30 HGEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1 ZINC000102748885 560824416 /nfs/dbraw/zinc/82/44/16/560824416.db2.gz UGJNEZYDWVVMAO-WOOAAIBNSA-N 0 1 405.385 3.251 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCOC)ccc1O ZINC000102800315 560828489 /nfs/dbraw/zinc/82/84/89/560828489.db2.gz VOUGOEHXSYVQBN-YDJIHCHBSA-N 0 1 411.454 3.167 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1C ZINC000102873921 560830327 /nfs/dbraw/zinc/83/03/27/560830327.db2.gz NBFHTNCTGSMPAT-MRJHHRETSA-N 0 1 415.449 3.416 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1C ZINC000102858697 560831135 /nfs/dbraw/zinc/83/11/35/560831135.db2.gz OIKXSOJVUDKSIP-MRJHHRETSA-N 0 1 415.449 3.416 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)cc1 ZINC000102883276 560833962 /nfs/dbraw/zinc/83/39/62/560833962.db2.gz AKPBNHBFDKHURW-YDJIHCHBSA-N 0 1 412.486 3.360 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000102932401 560835608 /nfs/dbraw/zinc/83/56/08/560835608.db2.gz WDYYDYIPPABGAF-MRJHHRETSA-N 0 1 408.498 3.459 50 30 HGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000102932401 560835609 /nfs/dbraw/zinc/83/56/09/560835609.db2.gz WDYYDYIPPABGAF-MRJHHRETSA-N 0 1 408.498 3.459 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020309916 568598521 /nfs/dbraw/zinc/59/85/21/568598521.db2.gz DCRJSYHFTMMITL-NRFANRHFSA-N 0 1 424.497 3.158 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020503956 568619707 /nfs/dbraw/zinc/61/97/07/568619707.db2.gz UCXCNNANUKURQG-STZFKDTASA-N 0 1 413.470 3.112 50 30 HGEAMN C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1OC ZINC000096113931 568693302 /nfs/dbraw/zinc/69/33/02/568693302.db2.gz KKZWWGKKDSLLGG-MRXNPFEDSA-N 0 1 424.453 3.059 50 30 biogenic HGEAMN O[C@H](CON=C1c2ccccc2-c2ccccc21)CN1CCN(c2ccccn2)CC1 ZINC000002700747 568801733 /nfs/dbraw/zinc/80/17/33/568801733.db2.gz CAGBFKSQJXQGCC-IBGZPJMESA-N 0 1 414.509 3.014 50 30 HGEAMN N#Cc1ccc(CN2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012554520 568855141 /nfs/dbraw/zinc/85/51/41/568855141.db2.gz CVHWAEGFYMBCFR-UHFFFAOYSA-N 0 1 407.474 3.003 50 30 HGEAMN C[NH+]1CCN(N=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)CC1 ZINC000005450712 568923989 /nfs/dbraw/zinc/92/39/89/568923989.db2.gz LYENAPDVXMATPC-HZHRSRAPSA-N 0 1 418.526 3.024 50 30 HGEAMN C=CCSc1nnc([C@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)n1C ZINC000014987961 569004116 /nfs/dbraw/zinc/00/41/16/569004116.db2.gz KAIVBIVIVIJFNR-INIZCTEOSA-N 0 1 418.563 3.499 50 30 HGEAMN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc(O)c(CC)c1=O ZINC000015979469 569005174 /nfs/dbraw/zinc/00/51/74/569005174.db2.gz KFHAQPWRZSHTDW-UHFFFAOYSA-N 0 1 424.320 3.191 50 30 HGEAMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(-c4ccco4)n[nH]3)C2)s1 ZINC000012923332 569023386 /nfs/dbraw/zinc/02/33/86/569023386.db2.gz ZFUPVRNTOHVITO-GFCCVEGCSA-N 0 1 421.504 3.124 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000006576955 569066766 /nfs/dbraw/zinc/06/67/66/569066766.db2.gz JIQBEHFLFGHHDO-JZXOWHBKSA-N 0 1 407.518 3.299 50 30 HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)s1 ZINC000006812778 569136646 /nfs/dbraw/zinc/13/66/46/569136646.db2.gz BFRLBIDDZOTIIE-INIZCTEOSA-N 0 1 403.479 3.039 50 30 HGEAMN C#CCOC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146540 518311971 /nfs/dbraw/zinc/31/19/71/518311971.db2.gz NBQITXLQAONDQJ-YADHBBJMSA-N 0 1 412.917 3.346 50 30 HGEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677535 518718344 /nfs/dbraw/zinc/71/83/44/518718344.db2.gz ARHBIXFNNFPXHS-GOSISDBHSA-N 0 1 418.925 3.025 50 30 HGEAMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1n[nH]c(CC)n1 ZINC000022543135 518776181 /nfs/dbraw/zinc/77/61/81/518776181.db2.gz RROJJZXAIMQCNL-UHFFFAOYSA-N 0 1 401.355 3.498 50 30 HGEAMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nc(CC)n[nH]1 ZINC000022543135 518776187 /nfs/dbraw/zinc/77/61/87/518776187.db2.gz RROJJZXAIMQCNL-UHFFFAOYSA-N 0 1 401.355 3.498 50 30 HGEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000009331850 521900876 /nfs/dbraw/zinc/90/08/76/521900876.db2.gz SYRKLRCBJVWTBL-VXLYETTFSA-N 0 1 415.431 3.424 50 30 HGEAMN COCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CCN([C@@H](C)CC(C)C)CC1 ZINC000021046938 523268437 /nfs/dbraw/zinc/26/84/37/523268437.db2.gz XDXBGAGHMMGYQQ-SFHVURJKSA-N 0 1 404.555 3.051 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1OC ZINC000102877098 523789778 /nfs/dbraw/zinc/78/97/78/523789778.db2.gz YVPWJPLGGLAPTA-NHFXJNLRSA-N 0 1 411.454 3.080 50 30 HGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccccc1 ZINC000004312098 557539390 /nfs/dbraw/zinc/53/93/90/557539390.db2.gz BVOKPICTOWQISB-QGZVFWFLSA-N 0 1 416.271 3.410 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000004312258 557539667 /nfs/dbraw/zinc/53/96/67/557539667.db2.gz ACMUHDOHKLSYBI-UWJYYQICSA-N 0 1 423.465 3.461 50 30 HGEAMN COc1ccc(C(=N)NOC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000004845504 557605614 /nfs/dbraw/zinc/60/56/14/557605614.db2.gz RSGWDWDTXGJUKC-UHFFFAOYSA-N 0 1 407.264 3.317 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000005817922 557676167 /nfs/dbraw/zinc/67/61/67/557676167.db2.gz VLTYQVNOCRPEFI-MRXNPFEDSA-N 0 1 411.414 3.469 50 30 HGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020441146 558363596 /nfs/dbraw/zinc/36/35/96/558363596.db2.gz OAJWXZKHBYSJSS-VLIAUNLRSA-N 0 1 410.470 3.051 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000012602674 558438512 /nfs/dbraw/zinc/43/85/12/558438512.db2.gz JMTMILMEJLDPET-ZIFCJYIRSA-N 0 1 415.497 3.167 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017180865 558825156 /nfs/dbraw/zinc/82/51/56/558825156.db2.gz XOMRVGCPZAGBPJ-IBGZPJMESA-N 0 1 409.442 3.043 50 30 HGEAMN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1OC ZINC000205961498 559190238 /nfs/dbraw/zinc/19/02/38/559190238.db2.gz WBDHGNQYCDTBPZ-INIZCTEOSA-N 0 1 424.453 3.059 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005446272 560588345 /nfs/dbraw/zinc/58/83/45/560588345.db2.gz WXZDWRBTSKRPSP-JBCNATCCSA-N 0 1 408.498 3.295 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000102487025 560811912 /nfs/dbraw/zinc/81/19/12/560811912.db2.gz ULNZTMCNQLXCLG-CEKHLOFYSA-N 0 1 411.429 3.435 50 30 HGEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102528723 560816452 /nfs/dbraw/zinc/81/64/52/560816452.db2.gz VBGSMGRSHDUPEQ-IBOXJLQUSA-N 0 1 422.422 3.381 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1C ZINC000102694723 560820029 /nfs/dbraw/zinc/82/00/29/560820029.db2.gz FXCNXNQTRIQRNL-GHNGSUTGSA-N 0 1 400.500 3.048 50 30 HGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102717726 560823389 /nfs/dbraw/zinc/82/33/89/560823389.db2.gz OEGTYJXQBZEYCM-LFVOPCPISA-N 0 1 418.405 3.396 50 30 HGEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)n1 ZINC000102743857 560823806 /nfs/dbraw/zinc/82/38/06/560823806.db2.gz APJLTKOVFQAPDW-MRJHHRETSA-N 0 1 422.529 3.200 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102804957 560826923 /nfs/dbraw/zinc/82/69/23/560826923.db2.gz DVOBLRIXOUQFDM-NHFXJNLRSA-N 0 1 411.454 3.162 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102805658 560827283 /nfs/dbraw/zinc/82/72/83/560827283.db2.gz SANGNKNOWHRHGC-NHFXJNLRSA-N 0 1 411.454 3.162 50 30 HGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCO)[C@H]1c1ccccc1 ZINC000102799610 560828306 /nfs/dbraw/zinc/82/83/06/560828306.db2.gz GTPAYQIBOBTOON-HVESIFNPSA-N 0 1 416.271 3.253 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000102801226 560828620 /nfs/dbraw/zinc/82/86/20/560828620.db2.gz QACOLBPSUBAUKV-BJMTZXNMSA-N 0 1 423.465 3.305 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102868397 560832689 /nfs/dbraw/zinc/83/26/89/560832689.db2.gz WVUJSSYSGOAFAL-SELCWUDQSA-N 0 1 410.382 3.307 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)cc1 ZINC000102883273 560833990 /nfs/dbraw/zinc/83/39/90/560833990.db2.gz AKPBNHBFDKHURW-NHFXJNLRSA-N 0 1 412.486 3.360 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102925811 560834381 /nfs/dbraw/zinc/83/43/81/560834381.db2.gz YTTIVEVKWFPWRZ-HVESIFNPSA-N 0 1 420.356 3.150 50 30 HGEAMN C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000000682066 568461541 /nfs/dbraw/zinc/46/15/41/568461541.db2.gz MBFCQAVPSVWVMM-YBFXNURJSA-N 0 1 403.438 3.445 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000016138355 569029391 /nfs/dbraw/zinc/02/93/91/569029391.db2.gz JRMKYBURMRWZAU-PDGQHHTCSA-N 0 1 403.413 3.477 50 30 HGEAMN Cc1cccc(N2NC(=O)C(=Cc3c(C)c(C#N)c4nc5ccccc5n4c3O)C2=O)c1 ZINC000012462776 569401422 /nfs/dbraw/zinc/40/14/22/569401422.db2.gz GQOASFIIALGBQH-BOPFTXTBSA-N 0 1 423.432 3.143 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000008914762 571150521 /nfs/dbraw/zinc/15/05/21/571150521.db2.gz GVNMFMLIUNIOCB-JBCNATCCSA-N 0 1 408.498 3.295 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009068648 571218358 /nfs/dbraw/zinc/21/83/58/571218358.db2.gz PMQWOXADWIRAGO-PZJWPPBQSA-N 0 1 423.465 3.461 50 30 HGEAMN Cc1sc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C#N)c1C ZINC000001015565 132235056 /nfs/dbraw/zinc/23/50/56/132235056.db2.gz JJKUALHVVGCEMT-RIYZIHGNSA-N 0 1 400.460 3.119 50 30 HGEAMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000041586343 521113600 /nfs/dbraw/zinc/11/36/00/521113600.db2.gz GWFBZZXKEFNGSF-LELXDKESSA-N 0 1 422.481 3.487 50 30 HGEAMN CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CCN([C@@H](C)CC(C)C)CC1 ZINC000021046949 521705482 /nfs/dbraw/zinc/70/54/82/521705482.db2.gz ZCMCUAAIQKHRAW-IBGZPJMESA-N 0 1 418.582 3.441 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 ZINC000013127801 523562860 /nfs/dbraw/zinc/56/28/60/523562860.db2.gz QBJZPVCWQZHEKU-CTNGQTDRSA-N 0 1 423.465 3.461 50 30 HGEAMN N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040284520 526474785 /nfs/dbraw/zinc/47/47/85/526474785.db2.gz MZMNUVWSJMAHQO-QFIPXVFZSA-N 0 1 404.470 3.014 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000004312257 557539730 /nfs/dbraw/zinc/53/97/30/557539730.db2.gz ACMUHDOHKLSYBI-LAUBAEHRSA-N 0 1 423.465 3.461 50 30 HGEAMN COc1cccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1O ZINC000004996638 557622751 /nfs/dbraw/zinc/62/27/51/557622751.db2.gz NNTBUOJOWPSKDK-PXLXIMEGSA-N 0 1 411.510 3.012 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000008997020 557818262 /nfs/dbraw/zinc/81/82/62/557818262.db2.gz PXJUJEWNBJYSNI-FQEVSTJZSA-N 0 1 409.486 3.009 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000019898769 558304513 /nfs/dbraw/zinc/30/45/13/558304513.db2.gz XTIAFXZJBDZMPC-QFIPXVFZSA-N 0 1 420.509 3.214 50 30 HGEAMN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000020154638 558342155 /nfs/dbraw/zinc/34/21/55/558342155.db2.gz NXYZVWAPGPEXGW-NEPJUHHUSA-N 0 1 414.439 3.375 50 30 HGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1 ZINC000013004460 558501587 /nfs/dbraw/zinc/50/15/87/558501587.db2.gz IFQYRIOMULLMDF-FQEVSTJZSA-N 0 1 410.470 3.485 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccccc1OC ZINC000013004834 558501880 /nfs/dbraw/zinc/50/18/80/558501880.db2.gz GGEKJGDALHLWEO-HXUWFJFHSA-N 0 1 411.454 3.237 50 30 HGEAMN COc1cccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000013810495 558595383 /nfs/dbraw/zinc/59/53/83/558595383.db2.gz MKJSGMZFEBQWPQ-RAXLEYEMSA-N 0 1 410.455 3.095 50 30 HGEAMN C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000072273333 558698738 /nfs/dbraw/zinc/69/87/38/558698738.db2.gz ORWLGOPWBLBHTB-HXUWFJFHSA-N 0 1 402.454 3.186 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016741405 558803529 /nfs/dbraw/zinc/80/35/29/558803529.db2.gz XKJSFTUIYWIZTL-HXUWFJFHSA-N 0 1 411.429 3.351 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017145980 558823881 /nfs/dbraw/zinc/82/38/81/558823881.db2.gz PEKLZXPOPAPIRN-IBGZPJMESA-N 0 1 409.442 3.043 50 30 HGEAMN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)N3CCc4nc[nH]c4C3)c(C)c12 ZINC000013570391 558844424 /nfs/dbraw/zinc/84/44/24/558844424.db2.gz WYMHHYICWBGPAQ-UHFFFAOYSA-N 0 1 407.470 3.215 50 30 biogenic HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)c(OC)c1 ZINC000013693270 558856280 /nfs/dbraw/zinc/85/62/80/558856280.db2.gz MWXPOKIKYBVGDU-KRWDZBQOSA-N 0 1 423.450 3.338 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000013693420 558856361 /nfs/dbraw/zinc/85/63/61/558856361.db2.gz PLDWEHPJKJLWLX-HXUWFJFHSA-N 0 1 420.444 3.350 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccs1 ZINC000013720536 558859099 /nfs/dbraw/zinc/85/90/99/558859099.db2.gz ZHPRNHWVMVLSQE-IBGZPJMESA-N 0 1 409.511 3.380 50 30 HGEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccs1 ZINC000013720536 558859101 /nfs/dbraw/zinc/85/91/01/558859101.db2.gz ZHPRNHWVMVLSQE-IBGZPJMESA-N 0 1 409.511 3.380 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013732580 558861218 /nfs/dbraw/zinc/86/12/18/558861218.db2.gz DEGSZDDTRIZZRD-OAQYLSRUSA-N 0 1 419.481 3.316 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1F ZINC000013729570 558861339 /nfs/dbraw/zinc/86/13/39/558861339.db2.gz KUNQMJPSGDCHOC-IBGZPJMESA-N 0 1 416.424 3.113 50 30 HGEAMN N=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100313878 559134042 /nfs/dbraw/zinc/13/40/42/559134042.db2.gz VREODRWFXYUFJV-AWEZNQCLSA-N 0 1 404.289 3.461 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000004850825 559190946 /nfs/dbraw/zinc/19/09/46/559190946.db2.gz JMTMILMEJLDPET-ZHALLVOQSA-N 0 1 415.497 3.167 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005565256 560616022 /nfs/dbraw/zinc/61/60/22/560616022.db2.gz QYFFMLYRBVDKDQ-MRJHHRETSA-N 0 1 424.497 3.077 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000005576840 560624718 /nfs/dbraw/zinc/62/47/18/560624718.db2.gz BMBMKUVWTAKSBS-LFVOPCPISA-N 0 1 414.889 3.332 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000005576840 560624720 /nfs/dbraw/zinc/62/47/20/560624720.db2.gz BMBMKUVWTAKSBS-LFVOPCPISA-N 0 1 414.889 3.332 50 30 HGEAMN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1[nH]nc2c1CCC2 ZINC000005626210 560633954 /nfs/dbraw/zinc/63/39/54/560633954.db2.gz NREQGPMFSUBEBV-CNHKJKLMSA-N 0 1 407.272 3.229 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102491382 560812096 /nfs/dbraw/zinc/81/20/96/560812096.db2.gz UIJDIUKXRNGSGY-HVESIFNPSA-N 0 1 402.366 3.011 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c1 ZINC000102538799 560813983 /nfs/dbraw/zinc/81/39/83/560813983.db2.gz FXDZXAXRWZOJOA-YDJIHCHBSA-N 0 1 401.422 3.107 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccnc1 ZINC000102803355 560826481 /nfs/dbraw/zinc/82/64/81/560826481.db2.gz ZUTNCWZEMSFWOV-MRJHHRETSA-N 0 1 424.497 3.493 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(Br)cc1 ZINC000102800323 560828564 /nfs/dbraw/zinc/82/85/64/560828564.db2.gz AECUAJLEWYIJJI-UYTDBDHRSA-N 0 1 420.259 3.419 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1C ZINC000102858702 560831167 /nfs/dbraw/zinc/83/11/67/560831167.db2.gz OIKXSOJVUDKSIP-JBCNATCCSA-N 0 1 415.449 3.416 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102868400 560832704 /nfs/dbraw/zinc/83/27/04/560832704.db2.gz WVUJSSYSGOAFAL-GHNGSUTGSA-N 0 1 410.382 3.307 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102932403 560835624 /nfs/dbraw/zinc/83/56/24/560835624.db2.gz WDYYDYIPPABGAF-JBCNATCCSA-N 0 1 408.498 3.459 50 30 HGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102932403 560835625 /nfs/dbraw/zinc/83/56/25/560835625.db2.gz WDYYDYIPPABGAF-JBCNATCCSA-N 0 1 408.498 3.459 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC)cc1 ZINC000103990790 560846576 /nfs/dbraw/zinc/84/65/76/560846576.db2.gz OYEDTMIZARQNEE-FEETXENISA-N 0 1 423.465 3.087 50 30 HGEAMN O=C1Nc2ccc(Br)cc2C1=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000000752990 568471302 /nfs/dbraw/zinc/47/13/02/568471302.db2.gz IIDTURYABWTQRX-UHFFFAOYSA-N 0 1 401.245 3.026 50 30 HGEAMN COc1ccc(OC)c(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\[O-])c1 ZINC000020111848 568588737 /nfs/dbraw/zinc/58/87/37/568588737.db2.gz MEQCWZDHMLUXBP-HEQHKCQXSA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN COc1ccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1OC ZINC000020111867 568588935 /nfs/dbraw/zinc/58/89/35/568588935.db2.gz CAVYINWUJMZQPC-VBHMAFOESA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000020229970 568595223 /nfs/dbraw/zinc/59/52/23/568595223.db2.gz IRIZLRHSBXIREG-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O3)CC1 ZINC000020503994 568619843 /nfs/dbraw/zinc/61/98/43/568619843.db2.gz UWGGEGGXVJJHMH-MOSHPQCFSA-N 0 1 409.442 3.054 50 30 HGEAMN CC(C)N(CC(=O)NC1(C#N)CCCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000058305339 568910416 /nfs/dbraw/zinc/91/04/16/568910416.db2.gz AMZOWANMOIEXIT-HXUWFJFHSA-N 0 1 409.530 3.242 50 30 HGEAMN COCc1cc(C)nc(NNC=C2C(C)=NN(c3ccc(C)c(C)c3)C2=O)c1C#N ZINC000016312142 569031268 /nfs/dbraw/zinc/03/12/68/569031268.db2.gz PCDPXRPBLIAVPP-RGVLZGJSSA-N 0 1 404.474 3.248 50 30 HGEAMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000242183938 569315184 /nfs/dbraw/zinc/31/51/84/569315184.db2.gz XDDDSUSLMDGNRB-PWRODBHTSA-N 0 1 407.518 3.088 50 30 HGEAMN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000002408225 569396406 /nfs/dbraw/zinc/39/64/06/569396406.db2.gz GWWBMDLRWJQROO-NRFANRHFSA-N 0 1 404.466 3.465 50 30 HGEAMN C=CCn1c(C)cs/c1=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000012559543 569401798 /nfs/dbraw/zinc/40/17/98/569401798.db2.gz JPTKNOAJIDGHCH-QOCHGBHMSA-N 0 1 415.544 3.484 50 30 HGEAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cccc(C#N)c2)c(C)n1C ZINC000008605000 571091551 /nfs/dbraw/zinc/09/15/51/571091551.db2.gz NKLTWXXSHJQKES-UHFFFAOYSA-N 0 1 414.531 3.331 50 30 HGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008738082 571110363 /nfs/dbraw/zinc/11/03/63/571110363.db2.gz SGVZWLNOKIVUQJ-KRWDZBQOSA-N 0 1 408.366 3.146 50 30 HGEAMN Cc1c(C)n(-c2cccc(F)c2)c(Nc2nnc([C@H]3CCS(=O)(=O)C3)o2)c1C#N ZINC000009338733 571249594 /nfs/dbraw/zinc/24/95/94/571249594.db2.gz KJFBYZBXXMBKQO-ZDUSSCGKSA-N 0 1 415.450 3.134 50 30 HGEAMN CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000021046670 521705471 /nfs/dbraw/zinc/70/54/71/521705471.db2.gz YOMCHNANRQDWSE-UHFFFAOYSA-N 0 1 416.566 3.339 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000012468629 523564682 /nfs/dbraw/zinc/56/46/82/523564682.db2.gz WAQLEYUQXCWXSU-FQEVSTJZSA-N 0 1 401.422 3.264 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000005484025 557656904 /nfs/dbraw/zinc/65/69/04/557656904.db2.gz OHPTWWMVQSJAIF-INIZCTEOSA-N 0 1 402.244 3.020 50 30 HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)s1 ZINC000006812797 557724405 /nfs/dbraw/zinc/72/44/05/557724405.db2.gz FZJXFNNMYCJHPG-MRXNPFEDSA-N 0 1 403.479 3.039 50 30 HGEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000009317207 557836301 /nfs/dbraw/zinc/83/63/01/557836301.db2.gz KLOLXECWDIWLRV-VXLYETTFSA-N 0 1 415.431 3.424 50 30 HGEAMN C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1cnc[nH]1 ZINC000009356387 557839038 /nfs/dbraw/zinc/83/90/38/557839038.db2.gz IGBRISCDWCJUJA-HNNXBMFYSA-N 0 1 407.518 3.032 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000019972581 558316292 /nfs/dbraw/zinc/31/62/92/558316292.db2.gz MWJBZKRQYYUPKJ-NRFANRHFSA-N 0 1 408.498 3.452 50 30 HGEAMN CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999607 558317872 /nfs/dbraw/zinc/31/78/72/558317872.db2.gz IZEOQXAJBWFAOD-SFHVURJKSA-N 0 1 400.500 3.287 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000013004408 558501605 /nfs/dbraw/zinc/50/16/05/558501605.db2.gz FSKIZURPFCMVCJ-OAQYLSRUSA-N 0 1 424.497 3.319 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000013004408 558501609 /nfs/dbraw/zinc/50/16/09/558501609.db2.gz FSKIZURPFCMVCJ-OAQYLSRUSA-N 0 1 424.497 3.319 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000013115996 558516271 /nfs/dbraw/zinc/51/62/71/558516271.db2.gz JIQBEHFLFGHHDO-SOLBZPMBSA-N 0 1 407.518 3.299 50 30 HGEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000013831693 558596744 /nfs/dbraw/zinc/59/67/44/558596744.db2.gz YORFZOKUUKWPGU-LHSJRXKWSA-N 0 1 424.472 3.289 50 30 HGEAMN COc1ccc([C@H]2C(C(C)=O)C(=O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 ZINC000013961514 558609352 /nfs/dbraw/zinc/60/93/52/558609352.db2.gz OYCGUTUYJOTRQZ-SFHVURJKSA-N 0 1 403.866 3.147 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000017835458 558828047 /nfs/dbraw/zinc/82/80/47/558828047.db2.gz DTCSOTYNSSRGKU-FQEVSTJZSA-N 0 1 412.461 3.283 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000017835458 558828050 /nfs/dbraw/zinc/82/80/50/558828050.db2.gz DTCSOTYNSSRGKU-FQEVSTJZSA-N 0 1 412.461 3.283 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2C)[C@@H]1c1cccnc1 ZINC000005027670 559230465 /nfs/dbraw/zinc/23/04/65/559230465.db2.gz ZMSNFNRSHMIGQP-FQEVSTJZSA-N 0 1 410.470 3.402 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000017885006 560729812 /nfs/dbraw/zinc/72/98/12/560729812.db2.gz FAMODBAOOGKSET-HXUWFJFHSA-N 0 1 410.470 3.293 50 30 HGEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000102170278 560808297 /nfs/dbraw/zinc/80/82/97/560808297.db2.gz JCFJHUKJFCRKIP-MRJHHRETSA-N 0 1 423.513 3.100 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102484068 560811813 /nfs/dbraw/zinc/81/18/13/560811813.db2.gz AWZVAVHPTXSBKV-XGALWYBDSA-N 0 1 423.465 3.305 50 30 HGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102698930 560820173 /nfs/dbraw/zinc/82/01/73/560820173.db2.gz UCFPFEYWCISDKA-GHNGSUTGSA-N 0 1 422.393 3.297 50 30 HGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102698937 560820203 /nfs/dbraw/zinc/82/02/03/560820203.db2.gz UCFPFEYWCISDKA-SELCWUDQSA-N 0 1 422.393 3.297 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccncc1 ZINC000102724363 560821695 /nfs/dbraw/zinc/82/16/95/560821695.db2.gz UEMPWZJADMLWEE-MRJHHRETSA-N 0 1 424.497 3.493 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000102734957 560822678 /nfs/dbraw/zinc/82/26/78/560822678.db2.gz XMAYSTNSZQEELO-UYTDBDHRSA-N 0 1 411.414 3.312 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(C)c1 ZINC000102714956 560823122 /nfs/dbraw/zinc/82/31/22/560823122.db2.gz FQGLXIKVZJWYLK-GHNGSUTGSA-N 0 1 400.500 3.048 50 30 HGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102717728 560823372 /nfs/dbraw/zinc/82/33/72/560823372.db2.gz OEGTYJXQBZEYCM-WOOAAIBNSA-N 0 1 418.405 3.396 50 30 HGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102804089 560826809 /nfs/dbraw/zinc/82/68/09/560826809.db2.gz BOTBAQIKONVZRY-SELCWUDQSA-N 0 1 410.382 3.220 50 30 HGEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102895159 560833190 /nfs/dbraw/zinc/83/31/90/560833190.db2.gz GLPWKHQPQYMTMH-LFVOPCPISA-N 0 1 415.511 3.302 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102933282 560835578 /nfs/dbraw/zinc/83/55/78/560835578.db2.gz CVVITORYHGNLDO-NHFXJNLRSA-N 0 1 411.454 3.080 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1 ZINC000102929991 560835909 /nfs/dbraw/zinc/83/59/09/560835909.db2.gz WFZCCSLCURXDNQ-MRJHHRETSA-N 0 1 417.465 3.404 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(F)c1)O2 ZINC000020519270 568625802 /nfs/dbraw/zinc/62/58/02/568625802.db2.gz XCZKSSXFVRDQCV-MOSHPQCFSA-N 0 1 401.434 3.242 50 30 HGEAMN CC[NH+]1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000034803669 568827691 /nfs/dbraw/zinc/82/76/91/568827691.db2.gz NJFRFBVNAOLBSM-UHFFFAOYSA-N 0 1 404.923 3.154 50 30 HGEAMN O=C([O-])c1cccc(NC(=[NH+]C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046022120 568924119 /nfs/dbraw/zinc/92/41/19/568924119.db2.gz CPZGCXBJASSAEO-NRFANRHFSA-N 0 1 414.550 3.091 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000012970064 569039722 /nfs/dbraw/zinc/03/97/22/569039722.db2.gz RWEIJBHZXQLBOG-ICSRJNTNSA-N 0 1 409.438 3.158 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000006786603 569121349 /nfs/dbraw/zinc/12/13/49/569121349.db2.gz RFWYCOJIWPBLOG-AZUAARDMSA-N 0 1 409.438 3.158 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812700 569136565 /nfs/dbraw/zinc/13/65/65/569136565.db2.gz OHYABIVNLUXYCM-LFVOPCPISA-N 0 1 412.511 3.296 50 30 HGEAMN C=C(C)COc1ccc2c(C)c(CC(=O)N3CCc4nc[nH]c4C3)c(=O)oc2c1C ZINC000008764779 571115014 /nfs/dbraw/zinc/11/50/14/571115014.db2.gz UWVSLTWQSAXHRB-UHFFFAOYSA-N 0 1 407.470 3.215 50 30 biogenic HGEAMN Cc1c(C)n(-c2cccc(F)c2)c(Nc2nnc([C@@H]3CCS(=O)(=O)C3)o2)c1C#N ZINC000009338732 571249681 /nfs/dbraw/zinc/24/96/81/571249681.db2.gz KJFBYZBXXMBKQO-CYBMUJFWSA-N 0 1 415.450 3.134 50 30 HGEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccc(OC)c2OC)O3)CC1 ZINC000020610546 521688263 /nfs/dbraw/zinc/68/82/63/521688263.db2.gz MJRBIMVOCFFENI-STZFKDTASA-N 0 1 424.497 3.163 50 30 biogenic HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000102935252 523378513 /nfs/dbraw/zinc/37/85/13/523378513.db2.gz CWVNIWKQCCELTN-JXQDGVRSSA-N 0 1 409.438 3.002 50 30 HGEAMN CCN1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)CC1 ZINC000004325503 557857313 /nfs/dbraw/zinc/85/73/13/557857313.db2.gz UIKVIVVNIWEHQZ-IBGZPJMESA-N 0 1 415.497 3.122 50 30 HGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020441150 558363526 /nfs/dbraw/zinc/36/35/26/558363526.db2.gz OAJWXZKHBYSJSS-XOBRGWDASA-N 0 1 410.470 3.051 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(OC)c2)cc1 ZINC000016734495 558802589 /nfs/dbraw/zinc/80/25/89/558802589.db2.gz MOVQTDZOBPPIHA-NRFANRHFSA-N 0 1 423.465 3.485 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016749714 558804416 /nfs/dbraw/zinc/80/44/16/558804416.db2.gz YFCAYQWAJBYKTI-KRWDZBQOSA-N 0 1 422.466 3.423 50 30 HGEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1 ZINC000013722957 558859203 /nfs/dbraw/zinc/85/92/03/558859203.db2.gz NMAYOTPARHGQGB-IBGZPJMESA-N 0 1 405.385 3.407 50 30 HGEAMN CC[NH+]1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000004865478 559193830 /nfs/dbraw/zinc/19/38/30/559193830.db2.gz OGHDCTKOLGRONT-UHFFFAOYSA-N 0 1 417.491 3.279 50 30 HGEAMN COc1cccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000100798712 559268075 /nfs/dbraw/zinc/26/80/75/559268075.db2.gz MKJSGMZFEBQWPQ-JLHYYAGUSA-N 0 1 410.455 3.095 50 30 HGEAMN CCc1nc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)[nH]c(=O)c1C#N ZINC000005239042 560548870 /nfs/dbraw/zinc/54/88/70/560548870.db2.gz BJRBYMNKDTVPRP-VIFPVBQESA-N 0 1 407.293 3.086 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccnc1 ZINC000017992059 560733187 /nfs/dbraw/zinc/73/31/87/560733187.db2.gz BEGVJPNETZYDGL-FQEVSTJZSA-N 0 1 410.470 3.341 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000018033097 560772994 /nfs/dbraw/zinc/77/29/94/560772994.db2.gz FSKIZURPFCMVCJ-NRFANRHFSA-N 0 1 424.497 3.319 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000018033097 560772996 /nfs/dbraw/zinc/77/29/96/560772996.db2.gz FSKIZURPFCMVCJ-NRFANRHFSA-N 0 1 424.497 3.319 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000018126894 560779213 /nfs/dbraw/zinc/77/92/13/560779213.db2.gz DVHOMZQYMNPOBQ-GOSISDBHSA-N 0 1 410.382 3.382 50 30 HGEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000102550874 560817918 /nfs/dbraw/zinc/81/79/18/560817918.db2.gz KBQMYTWLQMKUFL-MRJHHRETSA-N 0 1 423.513 3.244 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000102752795 560825773 /nfs/dbraw/zinc/82/57/73/560825773.db2.gz DPILDOAYPHSHQE-SELCWUDQSA-N 0 1 408.483 3.115 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102799956 560828289 /nfs/dbraw/zinc/82/82/89/560828289.db2.gz ADCHSNNWYTYDIP-ISYIFQNYSA-N 0 1 408.410 3.196 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCO)cc1 ZINC000102801633 560828581 /nfs/dbraw/zinc/82/85/81/560828581.db2.gz QHSZHPNIXFDJEW-GHNGSUTGSA-N 0 1 401.846 3.153 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102873537 560830301 /nfs/dbraw/zinc/83/03/01/560830301.db2.gz ZKQORPPGUNLFAE-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102888666 560832783 /nfs/dbraw/zinc/83/27/83/560832783.db2.gz KKKGATNDSCVBMX-JBCNATCCSA-N 0 1 424.497 3.164 50 30 HGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102888666 560832785 /nfs/dbraw/zinc/83/27/85/560832785.db2.gz KKKGATNDSCVBMX-JBCNATCCSA-N 0 1 424.497 3.164 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000102885881 560834086 /nfs/dbraw/zinc/83/40/86/560834086.db2.gz NHUSNMGSSKTKRA-QZKVPLAPSA-N 0 1 423.465 3.174 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102925809 560834347 /nfs/dbraw/zinc/83/43/47/560834347.db2.gz YTTIVEVKWFPWRZ-GROYHEBESA-N 0 1 420.356 3.150 50 30 HGEAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(C#N)cc2)c(C)n1C ZINC000021030427 568659162 /nfs/dbraw/zinc/65/91/62/568659162.db2.gz MJVRZCRITWLOCH-UHFFFAOYSA-N 0 1 414.531 3.187 50 30 HGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000005799905 568735407 /nfs/dbraw/zinc/73/54/07/568735407.db2.gz SIGFTWRIMNMFQM-WOOAAIBNSA-N 0 1 414.889 3.332 50 30 HGEAMN CCOC(=O)c1sc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(C#N)c1C ZINC000002769163 568807267 /nfs/dbraw/zinc/80/72/67/568807267.db2.gz RYQYNYALJWHZRK-UHFFFAOYSA-N 0 1 420.401 3.041 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)cc1 ZINC000006420838 569048774 /nfs/dbraw/zinc/04/87/74/569048774.db2.gz WPHHHLRRTFODFY-NHFXJNLRSA-N 0 1 410.470 3.136 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000006812689 569136580 /nfs/dbraw/zinc/13/65/80/569136580.db2.gz JUBQJSXVYIYEKS-JBCNATCCSA-N 0 1 406.482 3.235 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006813271 569136760 /nfs/dbraw/zinc/13/67/60/569136760.db2.gz FAMODBAOOGKSET-FQEVSTJZSA-N 0 1 410.470 3.293 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1F ZINC000006157325 569279630 /nfs/dbraw/zinc/27/96/30/569279630.db2.gz FQBDVQQPVJWYTM-FQEVSTJZSA-N 0 1 419.412 3.403 50 30 HGEAMN O=C(Nc1ccc2nc[nH]c2c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000328591554 569415000 /nfs/dbraw/zinc/41/50/00/569415000.db2.gz HERHEFCUMPCNII-UHFFFAOYSA-N 0 1 402.451 3.391 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000008914763 571150648 /nfs/dbraw/zinc/15/06/48/571150648.db2.gz GVNMFMLIUNIOCB-MRJHHRETSA-N 0 1 408.498 3.295 50 30 HGEAMN CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009242600 571240971 /nfs/dbraw/zinc/24/09/71/571240971.db2.gz BANTZRXWPPODQG-SFHVURJKSA-N 0 1 410.382 3.463 50 30 HGEAMN C=C(C)CN1CCN(c2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)CC1 ZINC000021790413 518606808 /nfs/dbraw/zinc/60/68/08/518606808.db2.gz BUGBYLKCELPLHW-UHFFFAOYSA-N 0 1 407.518 3.420 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000102714957 523374575 /nfs/dbraw/zinc/37/45/75/523374575.db2.gz FQGLXIKVZJWYLK-SELCWUDQSA-N 0 1 400.500 3.048 50 30 HGEAMN COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCOCC3)C2=O)c(OC)c1 ZINC000020589049 523419525 /nfs/dbraw/zinc/41/95/25/523419525.db2.gz RILSZSVOKUOBQY-JAIQZWGSSA-N 0 1 411.454 3.166 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccncc1 ZINC000013003331 523793677 /nfs/dbraw/zinc/79/36/77/523793677.db2.gz LQDQTJMAAMOUHT-HXUWFJFHSA-N 0 1 410.470 3.402 50 30 HGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000000703099 557062816 /nfs/dbraw/zinc/06/28/16/557062816.db2.gz LIOHIAIWWGHKBB-LAUBAEHRSA-N 0 1 421.449 3.215 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 ZINC000000853437 557101972 /nfs/dbraw/zinc/10/19/72/557101972.db2.gz ZUXMLXWDUYMYSC-UWJYYQICSA-N 0 1 423.465 3.461 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000000922167 557119509 /nfs/dbraw/zinc/11/95/09/557119509.db2.gz VPVGJIIWVPGIPO-FQEVSTJZSA-N 0 1 412.461 3.283 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000001154108 557212877 /nfs/dbraw/zinc/21/28/77/557212877.db2.gz HGSIMVBZEGOQMS-INIZCTEOSA-N 0 1 406.354 3.069 50 30 HGEAMN CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000002394493 557344078 /nfs/dbraw/zinc/34/40/78/557344078.db2.gz ACIVIROIWGZWTE-SFHVURJKSA-N 0 1 409.534 3.358 50 30 HGEAMN 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50 30 HGEAMN Cc1nn(C)cc1C=NN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000013692369 558573811 /nfs/dbraw/zinc/57/38/11/558573811.db2.gz BBQRRPNAGUIOGY-QPJQQBGISA-N 0 1 412.906 3.052 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015920064 558761946 /nfs/dbraw/zinc/76/19/46/558761946.db2.gz UNHUMNAGRKUOKC-SFHVURJKSA-N 0 1 401.846 3.309 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016741353 558803506 /nfs/dbraw/zinc/80/35/06/558803506.db2.gz PTHLWXCIXQUYQD-OAQYLSRUSA-N 0 1 423.465 3.221 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 ZINC000017112737 558822786 /nfs/dbraw/zinc/82/27/86/558822786.db2.gz MPNUFQPWRCQRCK-FQEVSTJZSA-N 0 1 409.486 3.009 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1C ZINC000017124241 558823284 /nfs/dbraw/zinc/82/32/84/558823284.db2.gz WEHOXPUKKQOCMM-NRFANRHFSA-N 0 1 424.497 3.152 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c(OC)c1 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UEMPWZJADMLWEE-JBCNATCCSA-N 0 1 424.497 3.493 50 30 HGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102805580 560827079 /nfs/dbraw/zinc/82/70/79/560827079.db2.gz JNVGRPQNDOXPLP-HVESIFNPSA-N 0 1 424.434 3.457 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccncc1 ZINC000102897338 560834780 /nfs/dbraw/zinc/83/47/80/560834780.db2.gz QYSXOYURWSVVNF-YDJIHCHBSA-N 0 1 410.470 3.185 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000102897382 560834842 /nfs/dbraw/zinc/83/48/42/560834842.db2.gz KKJANAWXYZLCHF-MRJHHRETSA-N 0 1 423.465 3.415 50 30 HGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102932170 560835590 /nfs/dbraw/zinc/83/55/90/560835590.db2.gz YAJRKBWQTXINPW-HOGKFDNTSA-N 0 1 420.509 3.139 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)c1 ZINC000102929992 560835871 /nfs/dbraw/zinc/83/58/71/560835871.db2.gz WFZCCSLCURXDNQ-JBCNATCCSA-N 0 1 417.465 3.404 50 30 HGEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3cccnc3)cc2)n1 ZINC000103542832 560843062 /nfs/dbraw/zinc/84/30/62/560843062.db2.gz QPKBAFOENFCHCJ-LUAWRHEFSA-N 0 1 409.471 3.098 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000103978724 560846247 /nfs/dbraw/zinc/84/62/47/560846247.db2.gz SSNFDKZKDXNKEH-NHFXJNLRSA-N 0 1 411.454 3.167 50 30 HGEAMN CCOCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000046021935 568424080 /nfs/dbraw/zinc/42/40/80/568424080.db2.gz WJGJSCCKHZLNQG-UHFFFAOYSA-N 0 1 416.566 3.339 50 30 HGEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)ccc1O ZINC000019137976 568852577 /nfs/dbraw/zinc/85/25/77/568852577.db2.gz WBIDKMZMCOQEQV-KRWDZBQOSA-N 0 1 423.450 3.344 50 30 HGEAMN COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN(C)C ZINC000004042429 568935902 /nfs/dbraw/zinc/93/59/02/568935902.db2.gz HSPQLIQNDNZCFV-JBCNATCCSA-N 0 1 420.465 3.425 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(CSc3ccccn3)c2)C1=O ZINC000012437160 568995102 /nfs/dbraw/zinc/99/51/02/568995102.db2.gz OHZJABNJZIYDGR-VBKFSLOCSA-N 0 1 409.467 3.030 50 30 HGEAMN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1 ZINC000019929608 569281962 /nfs/dbraw/zinc/28/19/62/569281962.db2.gz XGOJYWJCPLXOME-NRFANRHFSA-N 0 1 423.513 3.317 50 30 HGEAMN COc1ccc(/C=C2/Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c(OC)c1 ZINC000037857484 523411531 /nfs/dbraw/zinc/41/15/31/523411531.db2.gz CGMXNNVIIJMFOZ-CIAFOILYSA-N 0 1 424.497 3.081 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812683 524105775 /nfs/dbraw/zinc/10/57/75/524105775.db2.gz OBHVMXHKYCPOKZ-JBCNATCCSA-N 0 1 420.465 3.425 50 30 HGEAMN N=C(CCS(=O)(=O)c1ccc(Cl)cc1)NOC(=O)c1ccc(Cl)cc1 ZINC000004389468 557550650 /nfs/dbraw/zinc/55/06/50/557550650.db2.gz DFOCBHKGYUJQFB-UHFFFAOYSA-N 0 1 401.271 3.286 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000020190462 558344593 /nfs/dbraw/zinc/34/45/93/558344593.db2.gz RXLIWYMGOFPPLH-OAQYLSRUSA-N 0 1 424.497 3.152 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000020438728 558363571 /nfs/dbraw/zinc/36/35/71/558363571.db2.gz NCPKQGKXZFQRIX-OAQYLSRUSA-N 0 1 422.481 3.097 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016734498 558802591 /nfs/dbraw/zinc/80/25/91/558802591.db2.gz MOVQTDZOBPPIHA-OAQYLSRUSA-N 0 1 423.465 3.485 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1C ZINC000017044732 558812799 /nfs/dbraw/zinc/81/27/99/558812799.db2.gz FENCDWRFWMCUMI-SFHVURJKSA-N 0 1 400.500 3.205 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000017180762 560703128 /nfs/dbraw/zinc/70/31/28/560703128.db2.gz ZSWQMZBDHXJZPO-OAQYLSRUSA-N 0 1 424.497 3.152 50 30 HGEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101062602 560768807 /nfs/dbraw/zinc/76/88/07/560768807.db2.gz KTDSWRWIVZGXGF-RIBQPWQFSA-N 0 1 417.215 3.409 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F ZINC000102734960 560822697 /nfs/dbraw/zinc/82/26/97/560822697.db2.gz XMAYSTNSZQEELO-IBOXJLQUSA-N 0 1 411.414 3.312 50 30 HGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccccc1F ZINC000102798694 560828032 /nfs/dbraw/zinc/82/80/32/560828032.db2.gz CATLCVLHXJSYER-IBOXJLQUSA-N 0 1 420.234 3.002 50 30 HGEAMN Cc1sc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C#N)c1C ZINC000103682491 560843855 /nfs/dbraw/zinc/84/38/55/560843855.db2.gz JJKUALHVVGCEMT-ZSOIEALJSA-N 0 1 400.460 3.119 50 30 HGEAMN CN1CCN(C[C@@H](O)Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 ZINC000019901310 568585442 /nfs/dbraw/zinc/58/54/42/568585442.db2.gz NLFSPQOLYNNZJB-CSHXORCISA-N 0 1 409.555 3.207 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000020533507 568629483 /nfs/dbraw/zinc/62/94/83/568629483.db2.gz AERNUWZUVJMTDM-MOSHPQCFSA-N 0 1 401.434 3.242 50 30 HGEAMN CC(C)([C@H](NC(=O)c1cn(CCCC#N)nn1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000096011119 568684080 /nfs/dbraw/zinc/68/40/80/568684080.db2.gz ULSBNKMCHZZRMW-LJQANCHMSA-N 0 1 416.476 3.206 50 30 HGEAMN N#Cc1c(=O)[nH]c(SCCCN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1 ZINC000015831964 569012392 /nfs/dbraw/zinc/01/23/92/569012392.db2.gz ABFWRDFWTDFGNX-UHFFFAOYSA-N 0 1 416.462 3.499 50 30 HGEAMN O=C1CSC(=S)N1/N=C/c1cc(Br)cc(Br)c1O ZINC000001711097 569032959 /nfs/dbraw/zinc/03/29/59/569032959.db2.gz IMRXFRRYLFLGAO-QLKAYGNNSA-N 0 1 410.112 3.111 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000013127800 569211345 /nfs/dbraw/zinc/21/13/45/569211345.db2.gz QBJZPVCWQZHEKU-TZIWHRDSSA-N 0 1 423.465 3.461 50 30 HGEAMN COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CCN([C@H](C)CC(C)C)CC1 ZINC000065308256 569220186 /nfs/dbraw/zinc/22/01/86/569220186.db2.gz FYRPMXHWUZFCPW-GOSISDBHSA-N 0 1 404.555 3.051 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006308949 569279721 /nfs/dbraw/zinc/27/97/21/569279721.db2.gz IYTOFBCOALHZQK-OAQYLSRUSA-N 0 1 423.465 3.485 50 30 HGEAMN COc1cc(C=CC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000013017165 569407425 /nfs/dbraw/zinc/40/74/25/569407425.db2.gz DXZKPUKMVDUTNX-BPJJOFIESA-N 0 1 422.409 3.494 50 30 HGEAMN COc1cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000013017165 569407426 /nfs/dbraw/zinc/40/74/26/569407426.db2.gz DXZKPUKMVDUTNX-BPJJOFIESA-N 0 1 422.409 3.494 50 30 HGEAMN COc1ccc(-c2nc(NCc3ccnc(N4CCCC4)c3)[nH]c(=O)c2C#N)cc1 ZINC000040130052 571182093 /nfs/dbraw/zinc/18/20/93/571182093.db2.gz IXKRUGGZKWIKDK-UHFFFAOYSA-N 0 1 402.458 3.337 50 30 HGEAMN COc1ccc(-c2nc(N3CCN(c4ccccc4F)CC3)[nH]c(=O)c2C#N)cc1 ZINC000040129957 571182123 /nfs/dbraw/zinc/18/21/23/571182123.db2.gz ZFMVHOASZJFQQM-UHFFFAOYSA-N 0 1 405.433 3.195 50 30 HGEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000009271064 571244338 /nfs/dbraw/zinc/24/43/38/571244338.db2.gz NTEZRNYDLOSIKK-GOSISDBHSA-N 0 1 424.526 3.153 50 30 HGEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000009271064 571244340 /nfs/dbraw/zinc/24/43/40/571244340.db2.gz NTEZRNYDLOSIKK-GOSISDBHSA-N 0 1 424.526 3.153 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OC)cc1 ZINC000009312010 571247218 /nfs/dbraw/zinc/24/72/18/571247218.db2.gz QCXYCSSZYNPRSS-SZNDQCEHSA-N 0 1 423.465 3.243 50 30 biogenic HGEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011916808 519089528 /nfs/dbraw/zinc/08/95/28/519089528.db2.gz AZBXJINXQNVGLE-UHFFFAOYSA-N 0 1 402.457 3.495 50 30 HGEAMN CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999610 521416229 /nfs/dbraw/zinc/41/62/29/521416229.db2.gz IZEOQXAJBWFAOD-GOSISDBHSA-N 0 1 400.500 3.287 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006812701 525382808 /nfs/dbraw/zinc/38/28/08/525382808.db2.gz KOIXPGCSJZUQFM-MRJHHRETSA-N 0 1 420.465 3.425 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000019939176 558313217 /nfs/dbraw/zinc/31/32/17/558313217.db2.gz WUQOHPHWAZFJCE-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000019939176 558313218 /nfs/dbraw/zinc/31/32/18/558313218.db2.gz WUQOHPHWAZFJCE-LJQANCHMSA-N 0 1 414.889 3.489 50 30 HGEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000020025066 558322324 /nfs/dbraw/zinc/32/23/24/558322324.db2.gz DAUXUSPIJWCNTO-OAQYLSRUSA-N 0 1 424.472 3.126 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057685 558329032 /nfs/dbraw/zinc/32/90/32/558329032.db2.gz KQMKOOVXPOTFPG-NRFANRHFSA-N 0 1 424.497 3.234 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000013130684 558520064 /nfs/dbraw/zinc/52/00/64/558520064.db2.gz HBTDLCZJPWLLPC-MRXNPFEDSA-N 0 1 402.244 3.020 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017887085 558828599 /nfs/dbraw/zinc/82/85/99/558828599.db2.gz WRKZAZVWAIIFGB-PKOBYXMFSA-N 0 1 408.410 3.352 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F ZINC000013692235 558855937 /nfs/dbraw/zinc/85/59/37/558855937.db2.gz QWNHNWUTMXQLFS-MRXNPFEDSA-N 0 1 411.414 3.469 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000013692382 558856074 /nfs/dbraw/zinc/85/60/74/558856074.db2.gz FNGWSJSLDDUTDJ-HXUWFJFHSA-N 0 1 402.454 3.210 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccs1 ZINC000013720539 558859080 /nfs/dbraw/zinc/85/90/80/558859080.db2.gz ZHPRNHWVMVLSQE-LJQANCHMSA-N 0 1 409.511 3.380 50 30 HGEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccs1 ZINC000013720539 558859082 /nfs/dbraw/zinc/85/90/82/558859082.db2.gz ZHPRNHWVMVLSQE-LJQANCHMSA-N 0 1 409.511 3.380 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000102885889 560834040 /nfs/dbraw/zinc/83/40/40/560834040.db2.gz NHUSNMGSSKTKRA-ZFGYKHQWSA-N 0 1 423.465 3.174 50 30 HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000012311666 560884537 /nfs/dbraw/zinc/88/45/37/560884537.db2.gz JMTMILMEJLDPET-SCTDSRPQSA-N 0 1 415.497 3.167 50 30 HGEAMN COc1ccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\[O-])c(OC)c1 ZINC000020111833 568588722 /nfs/dbraw/zinc/58/87/22/568588722.db2.gz RLPIQCAIYXUYPA-HEQHKCQXSA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN N#Cc1ccc(CN2CCN(CCC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000028879581 568812417 /nfs/dbraw/zinc/81/24/17/568812417.db2.gz OZFRLNZQOKKOTN-UHFFFAOYSA-N 0 1 406.534 3.016 50 30 HGEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCCC3)C1=O)O2 ZINC000263586338 568879233 /nfs/dbraw/zinc/87/92/33/568879233.db2.gz STFUDVJGSFPAFS-LJJIPZOBSA-N 0 1 411.454 3.101 50 30 biogenic HGEAMN C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000006576954 569066825 /nfs/dbraw/zinc/06/68/25/569066825.db2.gz JIQBEHFLFGHHDO-NUJGCVRESA-N 0 1 407.518 3.299 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccnc1 ZINC000005898857 569072092 /nfs/dbraw/zinc/07/20/92/569072092.db2.gz CPQUDTJAWACLLP-HXUWFJFHSA-N 0 1 410.470 3.402 50 30 HGEAMN C=CCOC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169681668 569127805 /nfs/dbraw/zinc/12/78/05/569127805.db2.gz DGCFHJJFJWNOFP-GGAORHGYSA-N 0 1 410.514 3.254 50 30 HGEAMN O=[N+]([O-])C(/C=N/OCc1ccccc1Br)S(=O)(=O)c1ccccc1 ZINC000008857071 569390587 /nfs/dbraw/zinc/39/05/87/569390587.db2.gz HFNVKQZRAVYGCH-ZXMBATIKSA-N 0 1 413.249 3.028 50 30 HGEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008739961 571110163 /nfs/dbraw/zinc/11/01/63/571110163.db2.gz SGVZWLNOKIVUQJ-QGZVFWFLSA-N 0 1 408.366 3.146 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000009361381 571251559 /nfs/dbraw/zinc/25/15/59/571251559.db2.gz ZJVDDTHGCZQGKQ-QKKBWIMNSA-N 0 1 423.465 3.330 50 30 HGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1 ZINC000009969646 571293201 /nfs/dbraw/zinc/29/32/01/571293201.db2.gz BOXVETIIUPBYJO-HXUWFJFHSA-N 0 1 418.405 3.224 50 30 HGEAMN N#Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025686469 132486935 /nfs/dbraw/zinc/48/69/35/132486935.db2.gz HYGSRSFFVLOLQE-LJQANCHMSA-N 0 1 405.420 3.139 50 30 HGEAMN C=CCn1c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2sc1=O ZINC000046017711 519262700 /nfs/dbraw/zinc/26/27/00/519262700.db2.gz GOBNPQKLQYSDJH-UHFFFAOYSA-N 0 1 406.485 3.067 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000008742462 520329350 /nfs/dbraw/zinc/32/93/50/520329350.db2.gz CMDKTYYYJNGUMM-HXUWFJFHSA-N 0 1 409.486 3.010 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]cn2)c1 ZINC000012371542 524112288 /nfs/dbraw/zinc/11/22/88/524112288.db2.gz HGMCFLYXQSKMLN-HXUWFJFHSA-N 0 1 421.428 3.378 50 30 HGEAMN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000031225470 526275738 /nfs/dbraw/zinc/27/57/38/526275738.db2.gz QLMWFJBCCJSMDZ-UHFFFAOYSA-N 0 1 407.562 3.389 50 30 HGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccccc1 ZINC000102799607 526951642 /nfs/dbraw/zinc/95/16/42/526951642.db2.gz GTPAYQIBOBTOON-GROYHEBESA-N 0 1 416.271 3.253 50 30 HGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000000703096 557062725 /nfs/dbraw/zinc/06/27/25/557062725.db2.gz LIOHIAIWWGHKBB-UTKZUKDTSA-N 0 1 421.449 3.215 50 30 HGEAMN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000002394494 557344173 /nfs/dbraw/zinc/34/41/73/557344173.db2.gz ACIVIROIWGZWTE-GOSISDBHSA-N 0 1 409.534 3.358 50 30 HGEAMN COc1cc(/C=N/O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002988016 557437143 /nfs/dbraw/zinc/43/71/43/557437143.db2.gz KOXBMNHXCXHWIV-RQZCQDPDSA-N 0 1 400.250 3.342 50 30 HGEAMN COc1ccc(CC(=N)NOC(=O)COc2ccc(C)cc2Br)cc1 ZINC000004551540 557566146 /nfs/dbraw/zinc/56/61/46/557566146.db2.gz POQXGUOEGHIDKR-UHFFFAOYSA-N 0 1 407.264 3.203 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008817956 557809891 /nfs/dbraw/zinc/80/98/91/557809891.db2.gz SMHUKIXONSLMGZ-SFHVURJKSA-N 0 1 416.393 3.476 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009413162 557841807 /nfs/dbraw/zinc/84/18/07/557841807.db2.gz MPIPCOUNYCBNBQ-HKUYNNGSSA-N 0 1 408.410 3.352 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029658 558323952 /nfs/dbraw/zinc/32/39/52/558323952.db2.gz GNQUVDQWVHPFOY-OAQYLSRUSA-N 0 1 408.498 3.452 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029658 558323954 /nfs/dbraw/zinc/32/39/54/558323954.db2.gz GNQUVDQWVHPFOY-OAQYLSRUSA-N 0 1 408.498 3.452 50 30 HGEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020441137 558363428 /nfs/dbraw/zinc/36/34/28/558363428.db2.gz OAJWXZKHBYSJSS-JLTOFOAXSA-N 0 1 410.470 3.051 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000012468000 558421022 /nfs/dbraw/zinc/42/10/22/558421022.db2.gz FGDPBCAJJBRQIA-OAQYLSRUSA-N 0 1 424.497 3.158 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 ZINC000013123971 558518041 /nfs/dbraw/zinc/51/80/41/558518041.db2.gz MGVQZZKOCOWQQC-HXUWFJFHSA-N 0 1 411.454 3.319 50 30 HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)s1 ZINC000004427899 558537469 /nfs/dbraw/zinc/53/74/69/558537469.db2.gz FOMCQMKECFUJPC-MRXNPFEDSA-N 0 1 403.479 3.039 50 30 HGEAMN COc1ccc([C@@H]2C(C(C)=O)C(=O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 ZINC000013961515 558609255 /nfs/dbraw/zinc/60/92/55/558609255.db2.gz OYCGUTUYJOTRQZ-GOSISDBHSA-N 0 1 403.866 3.147 50 30 HGEAMN C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000072273332 558698750 /nfs/dbraw/zinc/69/87/50/558698750.db2.gz ORWLGOPWBLBHTB-FQEVSTJZSA-N 0 1 402.454 3.186 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1OC ZINC000017162704 558824574 /nfs/dbraw/zinc/82/45/74/558824574.db2.gz RJDIECCPVBIFBX-HXUWFJFHSA-N 0 1 411.454 3.237 50 30 HGEAMN C=CCSc1nnc([C@H]2CCCN(Cc3cc(OC)c(O)c(OC)c3)C2)n1C ZINC000299760167 558837548 /nfs/dbraw/zinc/83/75/48/558837548.db2.gz OAXHUXHBJVPZKQ-HNNXBMFYSA-N 0 1 404.536 3.196 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000018009166 560748555 /nfs/dbraw/zinc/74/85/55/560748555.db2.gz RFWYCOJIWPBLOG-UYAOXDASSA-N 0 1 409.438 3.158 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000101288220 560790734 /nfs/dbraw/zinc/79/07/34/560790734.db2.gz NDRHKOYNIPQXBC-LFVOPCPISA-N 0 1 412.511 3.296 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102643934 560819807 /nfs/dbraw/zinc/81/98/07/560819807.db2.gz ULNZTMCNQLXCLG-UDOZCRMJSA-N 0 1 411.429 3.435 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000102744906 560823970 /nfs/dbraw/zinc/82/39/70/560823970.db2.gz ADMGVXFRENEDHJ-NHFXJNLRSA-N 0 1 402.454 3.054 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1C ZINC000102804342 560826761 /nfs/dbraw/zinc/82/67/61/560826761.db2.gz HAQKSFHPTLFJHA-MRJHHRETSA-N 0 1 415.449 3.416 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000102885886 560834076 /nfs/dbraw/zinc/83/40/76/560834076.db2.gz NHUSNMGSSKTKRA-FEETXENISA-N 0 1 423.465 3.174 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1OC ZINC000102931632 560835552 /nfs/dbraw/zinc/83/55/52/560835552.db2.gz ZNWJDBUPMVEYGN-YDJIHCHBSA-N 0 1 411.454 3.080 50 30 HGEAMN O=C([O-])c1cccc(NC(=[NH+]C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046022122 568924286 /nfs/dbraw/zinc/92/42/86/568924286.db2.gz CPZGCXBJASSAEO-OAQYLSRUSA-N 0 1 414.550 3.091 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000004037504 568935769 /nfs/dbraw/zinc/93/57/69/568935769.db2.gz YORFZOKUUKWPGU-SZNDQCEHSA-N 0 1 424.472 3.289 50 30 HGEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000004739015 568964106 /nfs/dbraw/zinc/96/41/06/568964106.db2.gz RBRPVGRYLFOCLC-ATVHPVEESA-N 0 1 408.479 3.400 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000012343698 568994573 /nfs/dbraw/zinc/99/45/73/568994573.db2.gz GSAVRXQYVUXVNR-LCYFTJDESA-N 0 1 401.762 3.156 50 30 HGEAMN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000020167041 569007940 /nfs/dbraw/zinc/00/79/40/569007940.db2.gz CNGGZDAJJXIPPE-NRFANRHFSA-N 0 1 422.481 3.172 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006160685 569015928 /nfs/dbraw/zinc/01/59/28/569015928.db2.gz VDTFMOICOZBPAL-JBCNATCCSA-N 0 1 406.482 3.235 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812702 569136559 /nfs/dbraw/zinc/13/65/59/569136559.db2.gz OBHVMXHKYCPOKZ-MRJHHRETSA-N 0 1 420.465 3.425 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(OC)cc2)cc1 ZINC000006308977 569279755 /nfs/dbraw/zinc/27/97/55/569279755.db2.gz IYTOFBCOALHZQK-NRFANRHFSA-N 0 1 423.465 3.485 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006309454 569279782 /nfs/dbraw/zinc/27/97/82/569279782.db2.gz HVOLCKSBNPGXAP-SFHVURJKSA-N 0 1 414.389 3.267 50 30 HGEAMN CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000002355806 569385331 /nfs/dbraw/zinc/38/53/31/569385331.db2.gz DSWVTYUPQBFDCQ-MRXNPFEDSA-N 0 1 417.469 3.128 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1Cl ZINC000009007764 571210058 /nfs/dbraw/zinc/21/00/58/571210058.db2.gz LUXCJJDCUNLYBA-GROYHEBESA-N 0 1 420.918 3.393 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC)cc1 ZINC000009312012 571247089 /nfs/dbraw/zinc/24/70/89/571247089.db2.gz QCXYCSSZYNPRSS-SPLOXXLWSA-N 0 1 423.465 3.243 50 30 biogenic HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000009361379 571251608 /nfs/dbraw/zinc/25/16/08/571251608.db2.gz 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HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000004889268 557610122 /nfs/dbraw/zinc/61/01/22/557610122.db2.gz UEARQICLCOIRMO-QGZVFWFLSA-N 0 1 416.271 3.328 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000008739972 557803621 /nfs/dbraw/zinc/80/36/21/557803621.db2.gz IBGMDLLAVHEKQO-SELCWUDQSA-N 0 1 400.500 3.130 50 30 HGEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1 ZINC000019973901 558316806 /nfs/dbraw/zinc/31/68/06/558316806.db2.gz VCXMGMUSWNPPNW-FQEVSTJZSA-N 0 1 409.486 3.010 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000017824650 558828076 /nfs/dbraw/zinc/82/80/76/558828076.db2.gz FGLFUVVZQWAHDS-GOSISDBHSA-N 0 1 400.500 3.205 50 30 HGEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1 ZINC000013723444 558860303 /nfs/dbraw/zinc/86/03/03/558860303.db2.gz PBVHMPFKMPOUKW-QGZVFWFLSA-N 0 1 404.850 3.082 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1F ZINC000013731221 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COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019972580 558316264 /nfs/dbraw/zinc/31/62/64/558316264.db2.gz MWJBZKRQYYUPKJ-OAQYLSRUSA-N 0 1 408.498 3.452 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 ZINC000013123970 558518065 /nfs/dbraw/zinc/51/80/65/558518065.db2.gz MGVQZZKOCOWQQC-FQEVSTJZSA-N 0 1 411.454 3.319 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000013692236 558855916 /nfs/dbraw/zinc/85/59/16/558855916.db2.gz QWNHNWUTMXQLFS-INIZCTEOSA-N 0 1 411.414 3.469 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)c1 ZINC000013212862 559280674 /nfs/dbraw/zinc/28/06/74/559280674.db2.gz VHCZUVFRCBRXNM-HXUWFJFHSA-N 0 1 401.422 3.264 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005576874 560624708 /nfs/dbraw/zinc/62/47/08/560624708.db2.gz WDQTYNPGBMZAGY-LFVOPCPISA-N 0 1 414.889 3.332 50 30 HGEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101062466 560768816 /nfs/dbraw/zinc/76/88/16/560768816.db2.gz KTDSWRWIVZGXGF-IDTYTIONSA-N 0 1 417.215 3.409 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c1 ZINC000102487233 560811926 /nfs/dbraw/zinc/81/19/26/560811926.db2.gz HXUWKMUSCRSFJL-NHFXJNLRSA-N 0 1 401.422 3.107 50 30 HGEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102511600 560815151 /nfs/dbraw/zinc/81/51/51/560815151.db2.gz FJLPHTHWSPZEAK-GHNGSUTGSA-N 0 1 410.382 3.225 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000102626647 560818516 /nfs/dbraw/zinc/81/85/16/560818516.db2.gz CMXLQCWLSHTVMJ-QZKVPLAPSA-N 0 1 424.472 3.132 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000102721618 560821414 /nfs/dbraw/zinc/82/14/14/560821414.db2.gz XMINPELTQFEQFR-YDJIHCHBSA-N 0 1 411.454 3.167 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)cc1 ZINC000102723176 560821498 /nfs/dbraw/zinc/82/14/98/560821498.db2.gz ZWQFEMCEHIBESS-GHNGSUTGSA-N 0 1 405.385 3.251 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccs1 ZINC000102748995 560824338 /nfs/dbraw/zinc/82/43/38/560824338.db2.gz NEFFNCMCAABGLQ-WOOAAIBNSA-N 0 1 409.511 3.223 50 30 HGEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccs1 ZINC000102748995 560824340 /nfs/dbraw/zinc/82/43/40/560824340.db2.gz NEFFNCMCAABGLQ-WOOAAIBNSA-N 0 1 409.511 3.223 50 30 HGEAMN COc1cc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102803796 560826623 /nfs/dbraw/zinc/82/66/23/560826623.db2.gz LLSWTHTVNVOPJB-WOOAAIBNSA-N 0 1 422.462 3.479 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1C ZINC000102804343 560826740 /nfs/dbraw/zinc/82/67/40/560826740.db2.gz HAQKSFHPTLFJHA-JBCNATCCSA-N 0 1 415.449 3.416 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000102804105 560826775 /nfs/dbraw/zinc/82/67/75/560826775.db2.gz WLSJMSRPMXCNCP-YDJIHCHBSA-N 0 1 401.422 3.107 50 30 HGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000102805638 560827263 /nfs/dbraw/zinc/82/72/63/560827263.db2.gz MILGFKUNPRVSLT-JBCNATCCSA-N 0 1 415.449 3.497 50 30 HGEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102888663 560832864 /nfs/dbraw/zinc/83/28/64/560832864.db2.gz KKKGATNDSCVBMX-MRJHHRETSA-N 0 1 424.497 3.164 50 30 HGEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102888663 560832865 /nfs/dbraw/zinc/83/28/65/560832865.db2.gz KKKGATNDSCVBMX-MRJHHRETSA-N 0 1 424.497 3.164 50 30 HGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1 ZINC000102896623 560834812 /nfs/dbraw/zinc/83/48/12/560834812.db2.gz NFDVMLMZQVMRBK-NHFXJNLRSA-N 0 1 410.470 3.329 50 30 HGEAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000024833102 568469871 /nfs/dbraw/zinc/46/98/71/568469871.db2.gz FGNWOEOCULBDEQ-UHFFFAOYSA-N 0 1 412.496 3.229 50 30 HGEAMN CC1=C2[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020111334 568588803 /nfs/dbraw/zinc/58/88/03/568588803.db2.gz ZCYXRKNXQNMCGQ-IMBWNBOCSA-N 0 1 420.553 3.218 50 30 biogenic HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020263803 568596448 /nfs/dbraw/zinc/59/64/48/568596448.db2.gz ZCRIKBNOBAZITG-OAQYLSRUSA-N 0 1 424.497 3.234 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020309919 568598492 /nfs/dbraw/zinc/59/84/92/568598492.db2.gz DCRJSYHFTMMITL-OAQYLSRUSA-N 0 1 424.497 3.158 50 30 HGEAMN COC(=O)c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc1/N=C/N(C)C ZINC000004053244 568880730 /nfs/dbraw/zinc/88/07/30/568880730.db2.gz RDNOQIDGTUYQSY-UDWIEESQSA-N 0 1 407.927 3.131 50 30 HGEAMN C#CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000009311383 568986160 /nfs/dbraw/zinc/98/61/60/568986160.db2.gz NJENYOLMWBMKGT-QINSGFPZSA-N 0 1 424.453 3.068 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000008378472 568996004 /nfs/dbraw/zinc/99/60/04/568996004.db2.gz PNURQBZKNRGBQO-FQEVSTJZSA-N 0 1 409.438 3.073 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000008378354 568996030 /nfs/dbraw/zinc/99/60/30/568996030.db2.gz PNURQBZKNRGBQO-HXUWFJFHSA-N 0 1 409.438 3.073 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000013131069 568997686 /nfs/dbraw/zinc/99/76/86/568997686.db2.gz KDCMMDSMXDJZQG-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000013131069 568997687 /nfs/dbraw/zinc/99/76/87/568997687.db2.gz KDCMMDSMXDJZQG-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000004550914 569255462 /nfs/dbraw/zinc/25/54/62/569255462.db2.gz VEQNQECLJPDIMC-XFXZXTDPSA-N 0 1 401.762 3.156 50 30 HGEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)ccc1OC(C)C ZINC000019972622 569281965 /nfs/dbraw/zinc/28/19/65/569281965.db2.gz DGOXDLDYNQVJAO-NRFANRHFSA-N 0 1 423.513 3.317 50 30 HGEAMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000242183936 569315169 /nfs/dbraw/zinc/31/51/69/569315169.db2.gz XDDDSUSLMDGNRB-NJDAHSKKSA-N 0 1 407.518 3.088 50 30 HGEAMN CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000002355807 569385358 /nfs/dbraw/zinc/38/53/58/569385358.db2.gz DSWVTYUPQBFDCQ-INIZCTEOSA-N 0 1 417.469 3.128 50 30 HGEAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)COc2ccccc2C#N)CC1 ZINC000012558231 132363922 /nfs/dbraw/zinc/36/39/22/132363922.db2.gz XXEBBDJVWAXKOL-UHFFFAOYSA-N 0 1 418.419 3.346 50 30 HGEAMN C#CCOC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146541 518306633 /nfs/dbraw/zinc/30/66/33/518306633.db2.gz NBQITXLQAONDQJ-VXKWHMMOSA-N 0 1 412.917 3.346 50 30 HGEAMN CC(C)(O)C#Cc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919891 519330810 /nfs/dbraw/zinc/33/08/10/519330810.db2.gz TZJJEOZLNGQEHO-DEOSSOPVSA-N 0 1 410.533 3.017 50 30 HGEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(OC)ccc2OC)O3)CC1 ZINC000020624295 521687142 /nfs/dbraw/zinc/68/71/42/521687142.db2.gz KWEDCTNZLJFQDZ-HMAPJEAMSA-N 0 1 424.497 3.163 50 30 HGEAMN C[NH+]1CCN(N=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)CC1 ZINC000020567726 523866627 /nfs/dbraw/zinc/86/66/27/523866627.db2.gz RSUPKLICGZCQHS-HZHRSRAPSA-N 0 1 418.526 3.436 50 30 HGEAMN COCCNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828640 523966688 /nfs/dbraw/zinc/96/66/88/523966688.db2.gz QPTDJTYIWLNJHA-QGZVFWFLSA-N 0 1 416.890 3.380 50 30 HGEAMN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3CN3CCOCC3)C1=O)cn2C ZINC000020648018 525598639 /nfs/dbraw/zinc/59/86/39/525598639.db2.gz UFCVZPCLWDUVFE-SSDVNMTOSA-N 0 1 420.465 3.341 50 30 HGEAMN COc1cccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)c1OC ZINC000020588522 525765432 /nfs/dbraw/zinc/76/54/32/525765432.db2.gz WJWNIXXFVRYMRJ-MOSHPQCFSA-N 0 1 424.497 3.081 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032609559 526271816 /nfs/dbraw/zinc/27/18/16/526271816.db2.gz GEGDQLBCFSWYMU-OAHLLOKOSA-N 0 1 408.395 3.229 50 30 HGEAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1Br ZINC000001100974 557179156 /nfs/dbraw/zinc/17/91/56/557179156.db2.gz OYLCIXQPCHSBFV-NJDFMEINSA-N 0 1 402.273 3.216 50 30 HGEAMN COc1ccc(C(=N)NOC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000004680661 557580618 /nfs/dbraw/zinc/58/06/18/557580618.db2.gz GIYFFKWGKWPSPP-UHFFFAOYSA-N 0 1 413.655 3.354 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000006781925 557720760 /nfs/dbraw/zinc/72/07/60/557720760.db2.gz QJCXFMDBDYOGAF-HXUWFJFHSA-N 0 1 409.486 3.009 50 30 HGEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccs3)ccc2O1 ZINC000019938495 558312913 /nfs/dbraw/zinc/31/29/13/558312913.db2.gz KRIHLUTWFKNWKV-DJJJIMSYSA-N 0 1 412.511 3.211 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999598 558317865 /nfs/dbraw/zinc/31/78/65/558317865.db2.gz HWNBEBPBXBGPFE-LJQANCHMSA-N 0 1 412.511 3.453 50 30 HGEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 ZINC000020025069 558322256 /nfs/dbraw/zinc/32/22/56/558322256.db2.gz DAUXUSPIJWCNTO-NRFANRHFSA-N 0 1 424.472 3.126 50 30 HGEAMN O=[N+]([O-])c1cccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000004402096 558499188 /nfs/dbraw/zinc/49/91/88/558499188.db2.gz SVNOKVLWBFXZIQ-RCCKNPSSSA-N 0 1 410.482 3.206 50 30 HGEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000013127219 558519104 /nfs/dbraw/zinc/51/91/04/558519104.db2.gz YAFIUYBQXMHLKW-NRFANRHFSA-N 0 1 423.513 3.256 50 30 HGEAMN O=C(Oc1ccc(C=NNC2=NC(=O)CS2)cc1)c1ccc(Br)cc1 ZINC000013941901 558604610 /nfs/dbraw/zinc/60/46/10/558604610.db2.gz KUCPJWIYCPYDFB-DJKKODMXSA-N 0 1 418.272 3.221 50 30 HGEAMN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc(O)c(CC)c1=O ZINC000013635395 558653461 /nfs/dbraw/zinc/65/34/61/558653461.db2.gz QZDDNPXQLRSTSX-UHFFFAOYSA-N 0 1 402.501 3.038 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000016944233 558809736 /nfs/dbraw/zinc/80/97/36/558809736.db2.gz WKTMFMOYMILZJT-FQEVSTJZSA-N 0 1 411.454 3.324 50 30 HGEAMN C=CCSc1nnc([C@@H]2CCCN(Cc3cc(OC)c(O)c(OC)c3)C2)n1C ZINC000299760170 558837589 /nfs/dbraw/zinc/83/75/89/558837589.db2.gz OAXHUXHBJVPZKQ-OAHLLOKOSA-N 0 1 404.536 3.196 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)cc1F ZINC000013719777 558859494 /nfs/dbraw/zinc/85/94/94/558859494.db2.gz YFIWOETXQBMGEK-LJQANCHMSA-N 0 1 416.424 3.113 50 30 HGEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1 ZINC000013723447 558860287 /nfs/dbraw/zinc/86/02/87/558860287.db2.gz PBVHMPFKMPOUKW-KRWDZBQOSA-N 0 1 404.850 3.082 50 30 HGEAMN C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004711357 558916815 /nfs/dbraw/zinc/91/68/15/558916815.db2.gz QAOHBXLWEKEMDO-WOJGMQOQSA-N 0 1 403.438 3.245 50 30 HGEAMN O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCOCC1 ZINC000100015079 559128592 /nfs/dbraw/zinc/12/85/92/559128592.db2.gz NVIAYHHQGMAWRB-RGVLZGJSSA-N 0 1 415.298 3.471 50 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COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102749401 560824312 /nfs/dbraw/zinc/82/43/12/560824312.db2.gz LBVWJJFZSXLIIQ-YDJIHCHBSA-N 0 1 418.453 3.052 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000102753365 560825742 /nfs/dbraw/zinc/82/57/42/560825742.db2.gz NPKGMXDBZQJTDH-NHFXJNLRSA-N 0 1 420.444 3.193 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102804567 560826974 /nfs/dbraw/zinc/82/69/74/560826974.db2.gz XZRASKOXVGHHDN-GHNGSUTGSA-N 0 1 410.382 3.220 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102799963 560828371 /nfs/dbraw/zinc/82/83/71/560828371.db2.gz ADCHSNNWYTYDIP-BCTIHFFESA-N 0 1 408.410 3.196 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102865686 560832729 /nfs/dbraw/zinc/83/27/29/560832729.db2.gz CTFDHMNFBAHRSC-JBCNATCCSA-N 0 1 424.497 3.077 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102897381 560834786 /nfs/dbraw/zinc/83/47/86/560834786.db2.gz KKJANAWXYZLCHF-JBCNATCCSA-N 0 1 423.465 3.415 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c(C)c1 ZINC000102929893 560835924 /nfs/dbraw/zinc/83/59/24/560835924.db2.gz LNBKKEKSMCYJLG-JBCNATCCSA-N 0 1 415.449 3.416 50 30 HGEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000000959201 568758317 /nfs/dbraw/zinc/75/83/17/568758317.db2.gz VLHBGLBYGRCKJI-UHFFFAOYSA-N 0 1 407.455 3.018 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000005884931 568828232 /nfs/dbraw/zinc/82/82/32/568828232.db2.gz NYHDITIENBCKDG-SELCWUDQSA-N 0 1 418.877 3.233 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)ccc1O ZINC000019137983 568852571 /nfs/dbraw/zinc/85/25/71/568852571.db2.gz WBIDKMZMCOQEQV-QGZVFWFLSA-N 0 1 423.450 3.344 50 30 HGEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000004742281 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412.530 3.335 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCO)[C@H]1c1ccc(Br)cc1 ZINC000009015470 557819706 /nfs/dbraw/zinc/81/97/06/557819706.db2.gz VZZBQZBOPJIVGU-KRWDZBQOSA-N 0 1 416.271 3.410 50 30 HGEAMN O=C([N-]S(=O)(=O)Oc1ccc(F)c(Cl)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000019857026 558296472 /nfs/dbraw/zinc/29/64/72/558296472.db2.gz IHWQESJFYWKXOQ-LRDDRELGSA-N 0 1 420.890 3.298 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020228383 558349601 /nfs/dbraw/zinc/34/96/01/558349601.db2.gz GSLORYUWICBZOD-LJQANCHMSA-N 0 1 412.511 3.453 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000017750863 558828012 /nfs/dbraw/zinc/82/80/12/558828012.db2.gz XDAOGJSWUKDEDK-OAQYLSRUSA-N 0 1 424.497 3.152 50 30 HGEAMN C=CCSc1nnc([C@@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)n1C ZINC000299766831 558841619 /nfs/dbraw/zinc/84/16/19/558841619.db2.gz SITURGQVSLAHAE-OAHLLOKOSA-N 0 1 418.563 3.499 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000013693421 558856235 /nfs/dbraw/zinc/85/62/35/558856235.db2.gz PLDWEHPJKJLWLX-FQEVSTJZSA-N 0 1 420.444 3.350 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1F ZINC000013719546 558859489 /nfs/dbraw/zinc/85/94/89/558859489.db2.gz INXSVOYJDJBNOC-KRWDZBQOSA-N 0 1 404.463 3.036 50 30 HGEAMN COc1ccc(-c2n[nH]cc2C=C2N=C(Nc3nccs3)SC2=O)cc1OC ZINC000004632442 558944845 /nfs/dbraw/zinc/94/48/45/558944845.db2.gz BXKHWHLHNDXDSZ-GHXNOFRVSA-N 0 1 413.484 3.442 50 30 HGEAMN N=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000100512743 559136147 /nfs/dbraw/zinc/13/61/47/559136147.db2.gz SPKHIEALBDGRFS-AWEZNQCLSA-N 0 1 404.289 3.461 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005565245 560615953 /nfs/dbraw/zinc/61/59/53/560615953.db2.gz QYFFMLYRBVDKDQ-JBCNATCCSA-N 0 1 424.497 3.077 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(O)cc2)cc1 ZINC000017968239 560732522 /nfs/dbraw/zinc/73/25/22/560732522.db2.gz RFWYCOJIWPBLOG-ICSRJNTNSA-N 0 1 409.438 3.158 50 30 HGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000101313407 560791537 /nfs/dbraw/zinc/79/15/37/560791537.db2.gz KRPGDJGEQLAZSR-MRJHHRETSA-N 0 1 424.472 3.374 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102487031 560811944 /nfs/dbraw/zinc/81/19/44/560811944.db2.gz ULNZTMCNQLXCLG-UYAGBXLBSA-N 0 1 411.429 3.435 50 30 HGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102496637 560812359 /nfs/dbraw/zinc/81/23/59/560812359.db2.gz BEZRPWPJPFVGLK-MRJHHRETSA-N 0 1 408.498 3.459 50 30 HGEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102496637 560812361 /nfs/dbraw/zinc/81/23/61/560812361.db2.gz BEZRPWPJPFVGLK-MRJHHRETSA-N 0 1 408.498 3.459 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000102643932 560819798 /nfs/dbraw/zinc/81/97/98/560819798.db2.gz ULNZTMCNQLXCLG-JXQDGVRSSA-N 0 1 411.429 3.435 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000102720821 560821417 /nfs/dbraw/zinc/82/14/17/560821417.db2.gz FXUGQGUQKAJTBL-GROYHEBESA-N 0 1 407.813 3.462 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCO)[C@H]1c1ccc(Br)cc1 ZINC000102801773 560828746 /nfs/dbraw/zinc/82/87/46/560828746.db2.gz WEJWFJQTKOCPNX-HVESIFNPSA-N 0 1 416.271 3.253 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000102857856 560831187 /nfs/dbraw/zinc/83/11/87/560831187.db2.gz ONXBMEUONNWTBW-GROYHEBESA-N 0 1 420.356 3.150 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102866721 560832711 /nfs/dbraw/zinc/83/27/11/560832711.db2.gz AXBZPGMXCLMLJO-YDJIHCHBSA-N 0 1 412.461 3.126 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000102885882 560834090 /nfs/dbraw/zinc/83/40/90/560834090.db2.gz NHUSNMGSSKTKRA-YHSLPNTHSA-N 0 1 423.465 3.174 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000104205254 560849780 /nfs/dbraw/zinc/84/97/80/560849780.db2.gz UUAQEXGIPBESGC-HVESIFNPSA-N 0 1 407.451 3.481 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000012324016 568471465 /nfs/dbraw/zinc/47/14/65/568471465.db2.gz ZJAYKBFBYQUNRN-GOSISDBHSA-N 0 1 408.483 3.272 50 30 HGEAMN COc1ccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\[O-])c(OC)c1 ZINC000020111835 568588716 /nfs/dbraw/zinc/58/87/16/568588716.db2.gz RLPIQCAIYXUYPA-CXJVOSNZSA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000028961991 568813713 /nfs/dbraw/zinc/81/37/13/568813713.db2.gz GHSKXVZFLWTETM-UHFFFAOYSA-N 0 1 406.534 3.016 50 30 HGEAMN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nncs2)ccc1O ZINC000001767206 569052188 /nfs/dbraw/zinc/05/21/88/569052188.db2.gz HIRGXXPHWJUVDY-AWEZNQCLSA-N 0 1 415.452 3.097 50 30 HGEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006564851 569066207 /nfs/dbraw/zinc/06/62/07/569066207.db2.gz OMDXSNGGCHRAFS-JBCNATCCSA-N 0 1 406.482 3.235 50 30 HGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006564855 569066232 /nfs/dbraw/zinc/06/62/32/569066232.db2.gz OMDXSNGGCHRAFS-MRJHHRETSA-N 0 1 406.482 3.235 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000012468624 569401559 /nfs/dbraw/zinc/40/15/59/569401559.db2.gz WAQLEYUQXCWXSU-HXUWFJFHSA-N 0 1 401.422 3.264 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000013110762 569409249 /nfs/dbraw/zinc/40/92/49/569409249.db2.gz RWEIJBHZXQLBOG-QUCCMNQESA-N 0 1 409.438 3.158 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1 ZINC000008837637 571123477 /nfs/dbraw/zinc/12/34/77/571123477.db2.gz PXFQOWWPGUHOPA-JBCNATCCSA-N 0 1 424.472 3.374 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009067799 571218313 /nfs/dbraw/zinc/21/83/13/571218313.db2.gz ZAVDZSVJTPOYPP-JBCNATCCSA-N 0 1 424.472 3.374 50 30 HGEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009185754 571234934 /nfs/dbraw/zinc/23/49/34/571234934.db2.gz NHEYQZXOONZWFR-GOSISDBHSA-N 0 1 410.382 3.376 50 30 HGEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000102878383 520841906 /nfs/dbraw/zinc/84/19/06/520841906.db2.gz HIRNIIDINWZAOS-MRJHHRETSA-N 0 1 424.497 3.077 50 30 HGEAMN O=S(=O)(c1cccs1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310046 527293942 /nfs/dbraw/zinc/29/39/42/527293942.db2.gz TWTPGKSQGPHZGA-IBGZPJMESA-N 0 1 417.560 3.155 50 30 biogenic HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOC)cc1OC ZINC000004870544 557608669 /nfs/dbraw/zinc/60/86/69/557608669.db2.gz WEPWADUZVGBEEK-FQEVSTJZSA-N 0 1 411.454 3.319 50 30 HGEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)s1 ZINC000006812781 557724431 /nfs/dbraw/zinc/72/44/31/557724431.db2.gz FZJXFNNMYCJHPG-INIZCTEOSA-N 0 1 403.479 3.039 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 ZINC000020171240 558343567 /nfs/dbraw/zinc/34/35/67/558343567.db2.gz PVOKUPQJDQQILK-IBGZPJMESA-N 0 1 412.511 3.453 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OC)cc1 ZINC000016700363 558801524 /nfs/dbraw/zinc/80/15/24/558801524.db2.gz CMETWSUYYPYMEF-HXUWFJFHSA-N 0 1 411.454 3.237 50 30 HGEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O ZINC000018211562 558833719 /nfs/dbraw/zinc/83/37/19/558833719.db2.gz BFHMAPBOAGGVDZ-JLTOFOAXSA-N 0 1 411.454 3.058 50 30 HGEAMN COc1cnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)nc1 ZINC000004785665 559063772 /nfs/dbraw/zinc/06/37/72/559063772.db2.gz YRAOMTOMTPRPNO-CIAFOILYSA-N 0 1 411.487 3.103 50 30 HGEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000102170156 560808306 /nfs/dbraw/zinc/80/83/06/560808306.db2.gz IZWMYYJGJBUKMD-MRJHHRETSA-N 0 1 423.513 3.100 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c1 ZINC000102487243 560811891 /nfs/dbraw/zinc/81/18/91/560811891.db2.gz HXUWKMUSCRSFJL-YDJIHCHBSA-N 0 1 401.422 3.107 50 30 HGEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000102626652 560818541 /nfs/dbraw/zinc/81/85/41/560818541.db2.gz CMXLQCWLSHTVMJ-YHSLPNTHSA-N 0 1 424.472 3.132 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2F)cc1 ZINC000102723181 560821608 /nfs/dbraw/zinc/82/16/08/560821608.db2.gz ZWQFEMCEHIBESS-SELCWUDQSA-N 0 1 405.385 3.251 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102750705 560825538 /nfs/dbraw/zinc/82/55/38/560825538.db2.gz QMRHVSINDISLJT-YDJIHCHBSA-N 0 1 420.444 3.193 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102805653 560827260 /nfs/dbraw/zinc/82/72/60/560827260.db2.gz SANGNKNOWHRHGC-YDJIHCHBSA-N 0 1 411.454 3.162 50 30 HGEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccc1F ZINC000102798699 560828037 /nfs/dbraw/zinc/82/80/37/560828037.db2.gz CATLCVLHXJSYER-UYTDBDHRSA-N 0 1 420.234 3.002 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Br)cc1 ZINC000102800324 560828553 /nfs/dbraw/zinc/82/85/53/560828553.db2.gz AECUAJLEWYIJJI-IBOXJLQUSA-N 0 1 420.259 3.419 50 30 HGEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102888589 560832835 /nfs/dbraw/zinc/83/28/35/560832835.db2.gz SHDMWGKQOLEQBA-MRJHHRETSA-N 0 1 424.497 3.163 50 30 HGEAMN Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000049406864 568449079 /nfs/dbraw/zinc/44/90/79/568449079.db2.gz ROQBEGYWKULTAA-UHFFFAOYSA-N 0 1 413.481 3.291 50 30 HGEAMN CN1CCN(C[C@H](O)Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 ZINC000019901312 568585455 /nfs/dbraw/zinc/58/54/55/568585455.db2.gz NLFSPQOLYNNZJB-SGQUHAKNSA-N 0 1 409.555 3.207 50 30 HGEAMN CC1=C2[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020111332 568588980 /nfs/dbraw/zinc/58/89/80/568588980.db2.gz ZCYXRKNXQNMCGQ-COLUHYSYSA-N 0 1 420.553 3.218 50 30 biogenic HGEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)O3)CC1 ZINC000020517758 568624076 /nfs/dbraw/zinc/62/40/76/568624076.db2.gz VTHREVSKWPCIHI-MOSHPQCFSA-N 0 1 409.442 3.054 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1OC)O2 ZINC000020517735 568624114 /nfs/dbraw/zinc/62/41/14/568624114.db2.gz YRUXXRRBDJWRNH-STZFKDTASA-N 0 1 413.470 3.112 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1F ZINC000012467990 568991424 /nfs/dbraw/zinc/99/14/24/568991424.db2.gz GANSNRWIWDDVPU-HXUWFJFHSA-N 0 1 419.412 3.403 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000018102505 569006459 /nfs/dbraw/zinc/00/64/59/569006459.db2.gz JDKZZFSJLOFOHD-OAQYLSRUSA-N 0 1 408.498 3.452 50 30 HGEAMN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc(-c4ccco4)n[nH]3)C2)s1 ZINC000012923337 569023331 /nfs/dbraw/zinc/02/33/31/569023331.db2.gz ZFUPVRNTOHVITO-LBPRGKRZSA-N 0 1 421.504 3.124 50 30 HGEAMN COc1ccc([C@@H]2NC(=O)C(=O)C2C(=O)c2ccc(Br)cc2)cc1OC ZINC000006282449 569037293 /nfs/dbraw/zinc/03/72/93/569037293.db2.gz DWRQKPPKOBSATO-INIZCTEOSA-N 0 1 418.243 3.332 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccnc1 ZINC000006498845 569061452 /nfs/dbraw/zinc/06/14/52/569061452.db2.gz BEGVJPNETZYDGL-HXUWFJFHSA-N 0 1 410.470 3.341 50 30 HGEAMN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000002408226 569396379 /nfs/dbraw/zinc/39/63/79/569396379.db2.gz GWWBMDLRWJQROO-OAQYLSRUSA-N 0 1 404.466 3.465 50 30 HGEAMN C=CCO[C@H](C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000078878785 569421354 /nfs/dbraw/zinc/42/13/54/569421354.db2.gz WPIFUEYWIXUPGE-CYBMUJFWSA-N 0 1 401.467 3.026 50 30 HGEAMN C=CCO[C@H](C)C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000078878785 569421356 /nfs/dbraw/zinc/42/13/56/569421356.db2.gz WPIFUEYWIXUPGE-CYBMUJFWSA-N 0 1 401.467 3.026 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032609560 526271484 /nfs/dbraw/zinc/27/14/84/526271484.db2.gz GEGDQLBCFSWYMU-HNNXBMFYSA-N 0 1 408.395 3.229 50 30 HGEAMN CCc1c(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccccc2OC)[nH]c1=O ZINC000001877164 557293622 /nfs/dbraw/zinc/29/36/22/557293622.db2.gz DCBCSIIRMLALKL-UHFFFAOYSA-N 0 1 405.458 3.179 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OC)c1 ZINC000004019554 557505527 /nfs/dbraw/zinc/50/55/27/557505527.db2.gz SPAZVEMDVPHEKY-SPLOXXLWSA-N 0 1 423.465 3.243 50 30 HGEAMN COc1ccc(CC(=N)NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000005093324 557635160 /nfs/dbraw/zinc/63/51/60/557635160.db2.gz SKTKORLARNJVHR-UHFFFAOYSA-N 0 1 406.866 3.411 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCO)cc1 ZINC000009110547 557823958 /nfs/dbraw/zinc/82/39/58/557823958.db2.gz VJGGEPNIVYNMGC-SFHVURJKSA-N 0 1 401.846 3.309 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009350540 557838264 /nfs/dbraw/zinc/83/82/64/557838264.db2.gz MPIPCOUNYCBNBQ-IEBWSBKVSA-N 0 1 408.410 3.352 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000020229904 558349829 /nfs/dbraw/zinc/34/98/29/558349829.db2.gz ASRIKPSTSVCHLI-OAQYLSRUSA-N 0 1 406.482 3.391 50 30 HGEAMN Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCN(C)CC3)c3ccccc23)cc1 ZINC000020533199 558384343 /nfs/dbraw/zinc/38/43/43/558384343.db2.gz NAYOOOHSQIKNBS-RGPPVUSESA-N 0 1 417.553 3.454 50 30 HGEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000013722600 558859152 /nfs/dbraw/zinc/85/91/52/558859152.db2.gz HPMWSQPJKBGIMV-QGZVFWFLSA-N 0 1 404.463 3.036 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2C)[C@H]1c1cccnc1 ZINC000005027669 559230512 /nfs/dbraw/zinc/23/05/12/559230512.db2.gz ZMSNFNRSHMIGQP-HXUWFJFHSA-N 0 1 410.470 3.402 50 30 HGEAMN N#Cc1ccc(CN2CCC(NC(=O)CC3(n4cccc4)CCOCC3)CC2)cc1 ZINC000409413083 559250424 /nfs/dbraw/zinc/25/04/24/559250424.db2.gz BMHKTPRDYPWMRI-UHFFFAOYSA-N 0 1 406.530 3.036 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005565244 560615891 /nfs/dbraw/zinc/61/58/91/560615891.db2.gz CYHRAGHBKCOFRE-JBCNATCCSA-N 0 1 408.498 3.377 50 30 HGEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000005595844 560628511 /nfs/dbraw/zinc/62/85/11/560628511.db2.gz LPNDFGAAYNPOJH-NHFXJNLRSA-N 0 1 412.486 3.359 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000017251462 560705101 /nfs/dbraw/zinc/70/51/01/560705101.db2.gz ZJVDDTHGCZQGKQ-LHSJRXKWSA-N 0 1 423.465 3.330 50 30 HGEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000101294148 560791053 /nfs/dbraw/zinc/79/10/53/560791053.db2.gz GSGZMVQMTJPQTG-YDJIHCHBSA-N 0 1 410.470 3.136 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000102433356 560811100 /nfs/dbraw/zinc/81/11/00/560811100.db2.gz BUECKBXJORMKNO-MRJHHRETSA-N 0 1 415.449 3.416 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102484074 560811802 /nfs/dbraw/zinc/81/18/02/560811802.db2.gz AWZVAVHPTXSBKV-ZTIZWFJRSA-N 0 1 423.465 3.305 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccnc1 ZINC000102564511 560816493 /nfs/dbraw/zinc/81/64/93/560816493.db2.gz QTQQLLWHIICSKT-NHFXJNLRSA-N 0 1 410.470 3.185 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000102721616 560821427 /nfs/dbraw/zinc/82/14/27/560821427.db2.gz XMINPELTQFEQFR-NHFXJNLRSA-N 0 1 411.454 3.167 50 30 HGEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccs1 ZINC000102748999 560824359 /nfs/dbraw/zinc/82/43/59/560824359.db2.gz NEFFNCMCAABGLQ-LFVOPCPISA-N 0 1 409.511 3.223 50 30 HGEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccs1 ZINC000102748999 560824361 /nfs/dbraw/zinc/82/43/61/560824361.db2.gz NEFFNCMCAABGLQ-LFVOPCPISA-N 0 1 409.511 3.223 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000102804103 560826772 /nfs/dbraw/zinc/82/67/72/560826772.db2.gz WLSJMSRPMXCNCP-NHFXJNLRSA-N 0 1 401.422 3.107 50 30 HGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102804092 560826820 /nfs/dbraw/zinc/82/68/20/560826820.db2.gz BOTBAQIKONVZRY-GHNGSUTGSA-N 0 1 410.382 3.220 50 30 HGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCO)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102926760 560834481 /nfs/dbraw/zinc/83/44/81/560834481.db2.gz GDCMKOKZQXIVPW-HVESIFNPSA-N 0 1 416.817 3.052 50 30 HGEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1 ZINC000102896625 560834827 /nfs/dbraw/zinc/83/48/27/560834827.db2.gz NFDVMLMZQVMRBK-YDJIHCHBSA-N 0 1 410.470 3.329 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1OC ZINC000102931631 560835586 /nfs/dbraw/zinc/83/55/86/560835586.db2.gz ZNWJDBUPMVEYGN-NHFXJNLRSA-N 0 1 411.454 3.080 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000104204533 560849794 /nfs/dbraw/zinc/84/97/94/560849794.db2.gz BFMINWCCNKOZCS-NHFXJNLRSA-N 0 1 411.454 3.167 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c1 ZINC000018022858 568417865 /nfs/dbraw/zinc/41/78/65/568417865.db2.gz WUHQIMMBJVCTEL-HXUWFJFHSA-N 0 1 401.422 3.264 50 30 HGEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020263800 568596400 /nfs/dbraw/zinc/59/64/00/568596400.db2.gz ZCRIKBNOBAZITG-NRFANRHFSA-N 0 1 424.497 3.234 50 30 HGEAMN N#Cc1c(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000057439699 568836908 /nfs/dbraw/zinc/83/69/08/568836908.db2.gz CGRKOMIANSTJAG-UHFFFAOYSA-N 0 1 410.543 3.355 50 30 HGEAMN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)cc1 ZINC000058217754 568928299 /nfs/dbraw/zinc/92/82/99/568928299.db2.gz BIOSVJQRWUDHIQ-UHFFFAOYSA-N 0 1 418.425 3.072 50 30 HGEAMN CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3ccco3)CC2)C1=O ZINC000012280713 568994343 /nfs/dbraw/zinc/99/43/43/568994343.db2.gz GQKHUMPGVXNERC-VWLOTQADSA-N 0 1 419.525 3.438 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FGDPBCAJJBRQIA-NRFANRHFSA-N 0 1 424.497 3.158 50 30 HGEAMN CCOc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1O ZINC000016361631 558787729 /nfs/dbraw/zinc/78/77/29/558787729.db2.gz NWRRZYPLRGYUIW-SFHVURJKSA-N 0 1 413.455 3.218 50 30 HGEAMN CCOc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1O ZINC000016361633 558787974 /nfs/dbraw/zinc/78/79/74/558787974.db2.gz NWRRZYPLRGYUIW-GOSISDBHSA-N 0 1 413.455 3.218 50 30 HGEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000017180280 558825093 /nfs/dbraw/zinc/82/50/93/558825093.db2.gz FICMTHUULJFFBT-NRFANRHFSA-N 0 1 424.497 3.152 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000017859125 558828400 /nfs/dbraw/zinc/82/84/00/558828400.db2.gz UYHYEBJJFLUVGL-GOSISDBHSA-N 0 1 405.385 3.407 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(C)c1 ZINC000018142156 558832021 /nfs/dbraw/zinc/83/20/21/558832021.db2.gz FGLFUVVZQWAHDS-SFHVURJKSA-N 0 1 400.500 3.205 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000013730300 558861013 /nfs/dbraw/zinc/86/10/13/558861013.db2.gz FGSLALCNZKTJOF-HXUWFJFHSA-N 0 1 418.453 3.209 50 30 HGEAMN N#Cc1cccnc1N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097098905 558991746 /nfs/dbraw/zinc/99/17/46/558991746.db2.gz UNUNUKOPIUAUTK-FQEVSTJZSA-N 0 1 411.509 3.244 50 30 HGEAMN CCc1nc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)[nH]c(=O)c1C#N ZINC000005239043 560548803 /nfs/dbraw/zinc/54/88/03/560548803.db2.gz BJRBYMNKDTVPRP-SECBINFHSA-N 0 1 407.293 3.086 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c(C)c1 ZINC000018145814 560779962 /nfs/dbraw/zinc/77/99/62/560779962.db2.gz ZSWQMZBDHXJZPO-NRFANRHFSA-N 0 1 424.497 3.152 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccnc1 ZINC000102716171 560823336 /nfs/dbraw/zinc/82/33/36/560823336.db2.gz WIXIPGRQZXALCH-JBCNATCCSA-N 0 1 424.497 3.493 50 30 HGEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102751701 560825656 /nfs/dbraw/zinc/82/56/56/560825656.db2.gz OEZYOTUCPLSDGK-JBCNATCCSA-N 0 1 424.545 3.144 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccnc1 ZINC000102803357 560826414 /nfs/dbraw/zinc/82/64/14/560826414.db2.gz ZUTNCWZEMSFWOV-JBCNATCCSA-N 0 1 424.497 3.493 50 30 HGEAMN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102803588 560826601 /nfs/dbraw/zinc/82/66/01/560826601.db2.gz GYYKYCXXNDFLTH-HVESIFNPSA-N 0 1 412.423 3.385 50 30 HGEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000102805635 560827190 /nfs/dbraw/zinc/82/71/90/560827190.db2.gz MILGFKUNPRVSLT-MRJHHRETSA-N 0 1 415.449 3.497 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102799965 560828357 /nfs/dbraw/zinc/82/83/57/560828357.db2.gz ADCHSNNWYTYDIP-DPGTYXLWSA-N 0 1 408.410 3.196 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000102866717 560832717 /nfs/dbraw/zinc/83/27/17/560832717.db2.gz AXBZPGMXCLMLJO-NHFXJNLRSA-N 0 1 412.461 3.126 50 30 HGEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccco2)nc1C ZINC000102879676 560833605 /nfs/dbraw/zinc/83/36/05/560833605.db2.gz NZJDYEMHMKUKJL-DPEHCCBOSA-N 0 1 424.434 3.457 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000104205259 560849715 /nfs/dbraw/zinc/84/97/15/560849715.db2.gz UUAQEXGIPBESGC-GROYHEBESA-N 0 1 407.451 3.481 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccncc1 ZINC000104220725 560850009 /nfs/dbraw/zinc/85/00/09/560850009.db2.gz JVTATFOSDZREDY-NHFXJNLRSA-N 0 1 410.470 3.245 50 30 HGEAMN Cc1ccc2nc([C@@H]3CCCN(CCS(=O)(=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000095446861 568612204 /nfs/dbraw/zinc/61/22/04/568612204.db2.gz KBYPNZHONQVQBC-GOSISDBHSA-N 0 1 408.527 3.396 50 30 HGEAMN C=CCc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 ZINC000001213411 568831324 /nfs/dbraw/zinc/83/13/24/568831324.db2.gz SYGMOZLWRXOXTB-UHFFFAOYSA-N 0 1 415.449 3.198 50 30 HGEAMN CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3ccco3)CC2)C1=O ZINC000012280716 568994361 /nfs/dbraw/zinc/99/43/61/568994361.db2.gz GQKHUMPGVXNERC-RUZDIDTESA-N 0 1 419.525 3.438 50 30 HGEAMN C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)n1C ZINC000014987958 569004074 /nfs/dbraw/zinc/00/40/74/569004074.db2.gz KAIVBIVIVIJFNR-MRXNPFEDSA-N 0 1 418.563 3.499 50 30 HGEAMN COc1cccc(CN2CCC[C@H](NC(=O)c3ccc(C#CC(C)(C)O)cc3)C2)c1 ZINC000014976481 569004263 /nfs/dbraw/zinc/00/42/63/569004263.db2.gz UFWQIJXMRPEJGC-QFIPXVFZSA-N 0 1 406.526 3.212 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000017044306 569005183 /nfs/dbraw/zinc/00/51/83/569005183.db2.gz GVWXBDUVBLTWCK-OAQYLSRUSA-N 0 1 424.472 3.126 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000006812940 569061190 /nfs/dbraw/zinc/06/11/90/569061190.db2.gz SHDXRPFOIJCMMZ-FQEVSTJZSA-N 0 1 411.454 3.324 50 30 biogenic HGEAMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000242183937 569315151 /nfs/dbraw/zinc/31/51/51/569315151.db2.gz XDDDSUSLMDGNRB-NJYVYQBISA-N 0 1 407.518 3.088 50 30 HGEAMN CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)sc2c1CCN(C)C2 ZINC000002292457 569369440 /nfs/dbraw/zinc/36/94/40/569369440.db2.gz WDWARICSDFMDCS-AWQFTUOYSA-N 0 1 419.459 3.286 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(O)c2)cc1 ZINC000013110761 569409236 /nfs/dbraw/zinc/40/92/36/569409236.db2.gz RWEIJBHZXQLBOG-UYAOXDASSA-N 0 1 409.438 3.158 50 30 HGEAMN COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000008683457 571101346 /nfs/dbraw/zinc/10/13/46/571101346.db2.gz ZDDOPTSVPDOBMJ-SDNWHVSQSA-N 0 1 410.455 3.095 50 30 HGEAMN COc1ccc(-c2nc(N3CCC[N@@H+](Cc4ccccc4)CC3)[n-]c(=O)c2C#N)cc1 ZINC000040122671 571178403 /nfs/dbraw/zinc/17/84/03/571178403.db2.gz AYZBLBRQIDGMSL-UHFFFAOYSA-N 0 1 415.497 3.442 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC)cc1 ZINC000009312011 518060051 /nfs/dbraw/zinc/06/00/51/518060051.db2.gz QCXYCSSZYNPRSS-QKKBWIMNSA-N 0 1 423.465 3.243 50 30 biogenic HGEAMN COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCOCC3)C2=O)cc1OC ZINC000020573704 523419315 /nfs/dbraw/zinc/41/93/15/523419315.db2.gz TVAPYYLAYIKSAB-NDENLUEZSA-N 0 1 411.454 3.166 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009301973 557835211 /nfs/dbraw/zinc/83/52/11/557835211.db2.gz WAJRNFIURXYCFR-QGZVFWFLSA-N 0 1 416.817 3.473 50 30 HGEAMN O=C([N-]S(=O)(=O)Oc1ccc(F)c(Cl)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000019857028 558296412 /nfs/dbraw/zinc/29/64/12/558296412.db2.gz IHWQESJFYWKXOQ-BLLLJJGKSA-N 0 1 420.890 3.298 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000020029661 558323973 /nfs/dbraw/zinc/32/39/73/558323973.db2.gz RVKSKSWYMJBWPV-FQEVSTJZSA-N 0 1 424.497 3.152 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000016700321 558801537 /nfs/dbraw/zinc/80/15/37/558801537.db2.gz IPFPWESRVLJTBI-NRFANRHFSA-N 0 1 424.497 3.152 50 30 HGEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016749717 558804404 /nfs/dbraw/zinc/80/44/04/558804404.db2.gz YFCAYQWAJBYKTI-QGZVFWFLSA-N 0 1 422.466 3.423 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000018045229 558830043 /nfs/dbraw/zinc/83/00/43/558830043.db2.gz XDAOGJSWUKDEDK-NRFANRHFSA-N 0 1 424.497 3.152 50 30 HGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)cc1F ZINC000013719780 558859538 /nfs/dbraw/zinc/85/95/38/558859538.db2.gz YFIWOETXQBMGEK-IBGZPJMESA-N 0 1 416.424 3.113 50 30 HGEAMN N#Cc1cccnc1N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097098902 558991777 /nfs/dbraw/zinc/99/17/77/558991777.db2.gz UNUNUKOPIUAUTK-HXUWFJFHSA-N 0 1 411.509 3.244 50 30 HGEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(OC)c1O ZINC000001176902 560727632 /nfs/dbraw/zinc/72/76/32/560727632.db2.gz FFWWJQMYHJNJDX-GXDHUFHOSA-N 0 1 412.442 3.100 50 30 HGEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c1 ZINC000018045643 560774360 /nfs/dbraw/zinc/77/43/60/560774360.db2.gz WUHQIMMBJVCTEL-FQEVSTJZSA-N 0 1 401.422 3.264 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102491389 560812167 /nfs/dbraw/zinc/81/21/67/560812167.db2.gz UIJDIUKXRNGSGY-GROYHEBESA-N 0 1 402.366 3.011 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102720199 560823527 /nfs/dbraw/zinc/82/35/27/560823527.db2.gz XDICYHPDMDBYTE-LFVOPCPISA-N 0 1 414.889 3.332 50 30 HGEAMN COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102744975 560823966 /nfs/dbraw/zinc/82/39/66/560823966.db2.gz FTZMJUYFIYQXFW-MRJHHRETSA-N 0 1 419.481 3.160 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102749398 560824294 /nfs/dbraw/zinc/82/42/94/560824294.db2.gz LBVWJJFZSXLIIQ-NHFXJNLRSA-N 0 1 418.453 3.052 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102868363 560832736 /nfs/dbraw/zinc/83/27/36/560832736.db2.gz PPARZWJJTZCXKU-FPUHYBSFSA-N 0 1 408.410 3.196 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102878284 560833358 /nfs/dbraw/zinc/83/33/58/560833358.db2.gz GVMCAZSOAXIIDD-GROYHEBESA-N 0 1 416.817 3.316 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccncc1 ZINC000102897336 560834846 /nfs/dbraw/zinc/83/48/46/560834846.db2.gz QYSXOYURWSVVNF-NHFXJNLRSA-N 0 1 410.470 3.185 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103978728 560846263 /nfs/dbraw/zinc/84/62/63/560846263.db2.gz SSNFDKZKDXNKEH-YDJIHCHBSA-N 0 1 411.454 3.167 50 30 HGEAMN CC(C)([C@@H](NC(=O)c1cn(CCCC#N)nn1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000096011120 568683966 /nfs/dbraw/zinc/68/39/66/568683966.db2.gz ULSBNKMCHZZRMW-IBGZPJMESA-N 0 1 416.476 3.206 50 30 HGEAMN COC(=O)c1ccc(Cl)cc1N=CC(C#N)S(=O)(=O)c1ccc(OC)cc1 ZINC000334157930 568862711 /nfs/dbraw/zinc/86/27/11/568862711.db2.gz QEOQVCOGUCGNTB-UHFFFAOYSA-N 0 1 406.847 3.350 50 30 HGEAMN CCN1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310187 568960594 /nfs/dbraw/zinc/96/05/94/568960594.db2.gz KKTOITAISCXMHG-SFHVURJKSA-N 0 1 407.518 3.255 50 30 HGEAMN COc1cccc(CN2CCN(Cc3ccc(C#CC(C)(C)O)cc3)CCC2=O)c1 ZINC000014961906 569004276 /nfs/dbraw/zinc/00/42/76/569004276.db2.gz ZMFZNJAPOMZRJS-UHFFFAOYSA-N 0 1 406.526 3.052 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006812718 569136572 /nfs/dbraw/zinc/13/65/72/569136572.db2.gz GRFOBIHKCLPSSN-WOOAAIBNSA-N 0 1 412.511 3.296 50 30 HGEAMN CC(C)(C)OC(=O)N1CCC2(CCN(CC(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000170611992 569245689 /nfs/dbraw/zinc/24/56/89/569245689.db2.gz HKGHIXRTHASSHC-UHFFFAOYSA-N 0 1 418.582 3.442 50 30 HGEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1sccc1C)O2 ZINC000002440886 569400684 /nfs/dbraw/zinc/40/06/84/569400684.db2.gz XWOFTBJGGBROCR-PDGQHHTCSA-N 0 1 403.500 3.473 50 30 HGEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1 ZINC000009969647 571293169 /nfs/dbraw/zinc/29/31/69/571293169.db2.gz BOXVETIIUPBYJO-FQEVSTJZSA-N 0 1 418.405 3.224 50 30 HGEAMN C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000001176875 518345675 /nfs/dbraw/zinc/34/56/75/518345675.db2.gz ZFRLCWAMCAKZLP-FOWTUZBSSA-N 0 1 403.438 3.245 50 30 HGEAMN C=CCNC(=O)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684549 518945295 /nfs/dbraw/zinc/94/52/95/518945295.db2.gz MDPPZFNNYHYNSK-UHFFFAOYSA-N 0 1 416.525 3.498 50 30 HGEAMN Cc1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000053526660 525514884 /nfs/dbraw/zinc/51/48/84/525514884.db2.gz PIFYCHRQHFUHJV-UHFFFAOYSA-N 0 1 414.351 3.411 50 30 HGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005062170 557632982 /nfs/dbraw/zinc/63/29/82/557632982.db2.gz FESXLAMBOWOHDG-QGZVFWFLSA-N 0 1 416.817 3.209 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000006786088 557721187 /nfs/dbraw/zinc/72/11/87/557721187.db2.gz CJXIOBHFDUSUOE-FQEVSTJZSA-N 0 1 411.454 3.319 50 30 HGEAMN CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1 ZINC000019973877 558316787 /nfs/dbraw/zinc/31/67/87/558316787.db2.gz VSBUFSXGAHCYLZ-SFHVURJKSA-N 0 1 400.500 3.287 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020228380 558349580 /nfs/dbraw/zinc/34/95/80/558349580.db2.gz GSLORYUWICBZOD-IBGZPJMESA-N 0 1 412.511 3.453 50 30 HGEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000013130682 558520141 /nfs/dbraw/zinc/52/01/41/558520141.db2.gz HBTDLCZJPWLLPC-INIZCTEOSA-N 0 1 402.244 3.020 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1 ZINC000016741404 558803594 /nfs/dbraw/zinc/80/35/94/558803594.db2.gz XKJSFTUIYWIZTL-FQEVSTJZSA-N 0 1 411.429 3.351 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018030657 558829746 /nfs/dbraw/zinc/82/97/46/558829746.db2.gz WRKZAZVWAIIFGB-MJGOQNOKSA-N 0 1 408.410 3.352 50 30 HGEAMN C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1OC ZINC000205961479 559190227 /nfs/dbraw/zinc/19/02/27/559190227.db2.gz WBDHGNQYCDTBPZ-MRXNPFEDSA-N 0 1 424.453 3.059 50 30 HGEAMN COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102741042 560823505 /nfs/dbraw/zinc/82/35/05/560823505.db2.gz ZSVARHFCMJBCBP-JBCNATCCSA-N 0 1 419.481 3.160 50 30 HGEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102803586 560826668 /nfs/dbraw/zinc/82/66/68/560826668.db2.gz GYYKYCXXNDFLTH-GROYHEBESA-N 0 1 412.423 3.385 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102878287 560833427 /nfs/dbraw/zinc/83/34/27/560833427.db2.gz GVMCAZSOAXIIDD-HVESIFNPSA-N 0 1 416.817 3.316 50 30 HGEAMN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCOc1cccc(C#N)c1 ZINC000051532221 568460423 /nfs/dbraw/zinc/46/04/23/568460423.db2.gz XZODFPCZRIINOW-FQEVSTJZSA-N 0 1 410.470 3.117 50 30 HGEAMN COc1ccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1OC ZINC000020111869 568588911 /nfs/dbraw/zinc/58/89/11/568588911.db2.gz CAVYINWUJMZQPC-AJIWAEEYSA-N 0 1 414.458 3.239 50 30 biogenic HGEAMN Cc1ccc2nc([C@H]3CCCN(CCS(=O)(=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000095446862 568612282 /nfs/dbraw/zinc/61/22/82/568612282.db2.gz KBYPNZHONQVQBC-SFHVURJKSA-N 0 1 408.527 3.396 50 30 HGEAMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096309693 568673960 /nfs/dbraw/zinc/67/39/60/568673960.db2.gz RWWRYOYSVULZOV-UHFFFAOYSA-N 0 1 413.909 3.292 50 30 HGEAMN Cc1cc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NCc2ccccc2)n[nH]1 ZINC000097112385 568714227 /nfs/dbraw/zinc/71/42/27/568714227.db2.gz AFIYAKCAJSOLCS-XMMPIXPASA-N 0 1 414.513 3.117 50 30 HGEAMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000096309694 568724062 /nfs/dbraw/zinc/72/40/62/568724062.db2.gz REXZYJANGBGTFI-UHFFFAOYSA-N 0 1 413.909 3.292 50 30 biogenic HGEAMN O=C(Nc1cccnc1)C(N=Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1 ZINC000005813962 568818577 /nfs/dbraw/zinc/81/85/77/568818577.db2.gz ATEFUUZCWXKXME-QOMWVZHYSA-N 0 1 402.410 3.142 50 30 HGEAMN CCN1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310186 568960602 /nfs/dbraw/zinc/96/06/02/568960602.db2.gz KKTOITAISCXMHG-GOSISDBHSA-N 0 1 407.518 3.255 50 30 HGEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812719 569136614 /nfs/dbraw/zinc/13/66/14/569136614.db2.gz OHYABIVNLUXYCM-WOOAAIBNSA-N 0 1 412.511 3.296 50 30 HGEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)c(F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006309427 569279749 /nfs/dbraw/zinc/27/97/49/569279749.db2.gz HVOLCKSBNPGXAP-GOSISDBHSA-N 0 1 414.389 3.267 50 30 HGEAMN COc1cc(C=CC(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000009244735 569391976 /nfs/dbraw/zinc/39/19/76/569391976.db2.gz DXZKPUKMVDUTNX-DIECRNLCSA-N 0 1 422.409 3.494 50 30 HGEAMN COc1cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000009244735 569391977 /nfs/dbraw/zinc/39/19/77/569391977.db2.gz DXZKPUKMVDUTNX-DIECRNLCSA-N 0 1 422.409 3.494 50 30 HGEAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cccc(C#N)c2)c(C)n1C ZINC000008608230 571093037 /nfs/dbraw/zinc/09/30/37/571093037.db2.gz UXGOFKJJWFYXIY-UHFFFAOYSA-N 0 1 414.531 3.187 50 30 HGEAMN CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CCN([C@H](C)CC(C)C)CC1 ZINC000021046955 521705595 /nfs/dbraw/zinc/70/55/95/521705595.db2.gz ZCMCUAAIQKHRAW-LJQANCHMSA-N 0 1 418.582 3.441 50 30 HGEAMN S[C@H](COCc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022146858 526389099 /nfs/dbraw/zinc/38/90/99/526389099.db2.gz CTCIGFHMLGKYCR-FQEVSTJZSA-N 0 1 400.544 3.048 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000001154109 557212858 /nfs/dbraw/zinc/21/28/58/557212858.db2.gz HGSIMVBZEGOQMS-MRXNPFEDSA-N 0 1 406.354 3.069 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004755522 557593467 /nfs/dbraw/zinc/59/34/67/557593467.db2.gz JMRUEMUVYKEFNY-FQEVSTJZSA-N 0 1 411.454 3.319 50 30 HGEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccs3)ccc2O1 ZINC000019938494 558312894 /nfs/dbraw/zinc/31/28/94/558312894.db2.gz KRIHLUTWFKNWKV-YJYMSZOUSA-N 0 1 412.511 3.211 50 30 HGEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1 ZINC000019973903 558316757 /nfs/dbraw/zinc/31/67/57/558316757.db2.gz UVVJRJIPNRCGRC-HXUWFJFHSA-N 0 1 409.486 3.010 50 30 HGEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)c1 ZINC000020230956 558350128 /nfs/dbraw/zinc/35/01/28/558350128.db2.gz KAPNIJOBWCTILO-IBGZPJMESA-N 0 1 414.889 3.489 50 30 HGEAMN O=C([N-]S(=O)(=O)Oc1ccc(Cl)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000020528569 558384011 /nfs/dbraw/zinc/38/40/11/558384011.db2.gz MZLRSFBNYSKEPU-XJKSGUPXSA-N 0 1 402.900 3.159 50 30 HGEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016741352 558803573 /nfs/dbraw/zinc/80/35/73/558803573.db2.gz PTHLWXCIXQUYQD-NRFANRHFSA-N 0 1 423.465 3.221 50 30 HGEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000016944237 558809648 /nfs/dbraw/zinc/80/96/48/558809648.db2.gz WKTMFMOYMILZJT-HXUWFJFHSA-N 0 1 411.454 3.324 50 30 HGEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000017138002 558823548 /nfs/dbraw/zinc/82/35/48/558823548.db2.gz ZXRRXGZYKPEPQZ-JOCHJYFZSA-N 0 1 420.509 3.296 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000017179834 558824936 /nfs/dbraw/zinc/82/49/36/558824936.db2.gz PKVRQTLQTDTSHM-OAQYLSRUSA-N 0 1 424.472 3.045 50 30 HGEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1 ZINC000004837416 559166359 /nfs/dbraw/zinc/16/63/59/559166359.db2.gz KEGZIJAKWGIYNW-IBGZPJMESA-N 0 1 415.497 3.205 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 ZINC000101288221 560790736 /nfs/dbraw/zinc/79/07/36/560790736.db2.gz NDRHKOYNIPQXBC-WOOAAIBNSA-N 0 1 412.511 3.296 50 30 HGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102496630 560812390 /nfs/dbraw/zinc/81/23/90/560812390.db2.gz BEZRPWPJPFVGLK-JBCNATCCSA-N 0 1 408.498 3.459 50 30 HGEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102496630 560812391 /nfs/dbraw/zinc/81/23/91/560812391.db2.gz BEZRPWPJPFVGLK-JBCNATCCSA-N 0 1 408.498 3.459 50 30 HGEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000102699358 560820211 /nfs/dbraw/zinc/82/02/11/560820211.db2.gz DFCXTKITIBUCOE-HVESIFNPSA-N 0 1 410.382 3.220 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102744970 560823974 /nfs/dbraw/zinc/82/39/74/560823974.db2.gz FTZMJUYFIYQXFW-JBCNATCCSA-N 0 1 419.481 3.160 50 30 HGEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102868366 560832723 /nfs/dbraw/zinc/83/27/23/560832723.db2.gz PPARZWJJTZCXKU-BCTIHFFESA-N 0 1 408.410 3.196 50 30 HGEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102930912 560835471 /nfs/dbraw/zinc/83/54/71/560835471.db2.gz GRDDLBHKOHOWJZ-IBOXJLQUSA-N 0 1 422.422 3.381 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102935254 560835737 /nfs/dbraw/zinc/83/57/37/560835737.db2.gz CWVNIWKQCCELTN-UDOZCRMJSA-N 0 1 409.438 3.002 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c(C)c1 ZINC000102929891 560835880 /nfs/dbraw/zinc/83/58/80/560835880.db2.gz LNBKKEKSMCYJLG-MRJHHRETSA-N 0 1 415.449 3.416 50 30 HGEAMN C#CCOC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984647 560859130 /nfs/dbraw/zinc/85/91/30/560859130.db2.gz NBQITXLQAONDQJ-FCHUYYIVSA-N 0 1 412.917 3.346 50 30 HGEAMN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1OC ZINC000096113932 568693380 /nfs/dbraw/zinc/69/33/80/568693380.db2.gz KKZWWGKKDSLLGG-INIZCTEOSA-N 0 1 424.453 3.059 50 30 biogenic HGEAMN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000002726610 568804117 /nfs/dbraw/zinc/80/41/17/568804117.db2.gz IIOAVJKALSMRSR-INIZCTEOSA-N 0 1 408.325 3.381 50 30 HGEAMN COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN(C)C ZINC000004042431 568935852 /nfs/dbraw/zinc/93/58/52/568935852.db2.gz HSPQLIQNDNZCFV-MRJHHRETSA-N 0 1 420.465 3.425 50 30 HGEAMN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(N(C)C)cc1 ZINC000004181382 568949408 /nfs/dbraw/zinc/94/94/08/568949408.db2.gz CNTUGGQQYWFDAI-XSFVSMFZSA-N 0 1 419.507 3.137 50 30 HGEAMN Cc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019898757 569009605 /nfs/dbraw/zinc/00/96/05/569009605.db2.gz BBYWNYDXCCZOBJ-QFIPXVFZSA-N 0 1 420.509 3.296 50 30 HGEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006160689 569015871 /nfs/dbraw/zinc/01/58/71/569015871.db2.gz VDTFMOICOZBPAL-MRJHHRETSA-N 0 1 406.482 3.235 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(CSc3ccccn3)c2)C1=O ZINC000012970982 569041187 /nfs/dbraw/zinc/04/11/87/569041187.db2.gz OHZJABNJZIYDGR-FOWTUZBSSA-N 0 1 409.467 3.030 50 30 HGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 ZINC000013127798 569211343 /nfs/dbraw/zinc/21/13/43/569211343.db2.gz QBJZPVCWQZHEKU-FPOVZHCZSA-N 0 1 423.465 3.461 50 30 HGEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827565 571122426 /nfs/dbraw/zinc/12/24/26/571122426.db2.gz AZZSKKKSEPSTFS-SFHVURJKSA-N 0 1 422.393 3.454 50 30 HGEAMN C=CCN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000009234464 571240067 /nfs/dbraw/zinc/24/00/67/571240067.db2.gz VLRZKAGVWOAUNQ-XDHOZWIPSA-N 0 1 403.413 3.477 50 30 HGEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000009374128 571252668 /nfs/dbraw/zinc/25/26/68/571252668.db2.gz JYOCBOZYLLLUCE-FQEVSTJZSA-N 0 1 409.438 3.182 50 30 HGEAMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1cc(C)n(C)c1C ZINC000032777080 519177982 /nfs/dbraw/zinc/17/79/82/519177982.db2.gz WUWILZBRMCQVBU-UHFFFAOYSA-N 0 1 401.580 3.423 50 30 HGEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102873535 525214307 /nfs/dbraw/zinc/21/43/07/525214307.db2.gz ZKQORPPGUNLFAE-LFVOPCPISA-N 0 1 414.889 3.332 50 30 HGEAMN O=C([N-]S(=O)(=O)Oc1ccc(Cl)cc1F)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000035124000 527159795 /nfs/dbraw/zinc/15/97/95/527159795.db2.gz DRXWYFJXPPFMLP-IUODEOHRSA-N 0 1 420.890 3.298 50 30 HGEAMN N=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000004610987 557572007 /nfs/dbraw/zinc/57/20/07/557572007.db2.gz VREODRWFXYUFJV-CQSZACIVSA-N 0 1 404.289 3.461 50 30 HGEAMN COc1ccc(O)c(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000005008062 557624920 /nfs/dbraw/zinc/62/49/20/557624920.db2.gz PWLWWJGOTGVCOO-PXLXIMEGSA-N 0 1 411.510 3.012 50 30 HGEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccncc3)ccc2O1 ZINC000006694142 557715439 /nfs/dbraw/zinc/71/54/39/557715439.db2.gz IBJSSLZMMNXSDI-XQAUZQBESA-N 0 1 420.465 3.162 50 30 HGEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000008836929 557811499 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