smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-n1cc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cn1 ZINC000016214275 962983477 /nfs/dbraw/zinc/98/34/77/962983477.db2.gz GEWBIZURVIPNNM-UYRXBGFRSA-N 0 1 404.470 3.533 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c(C)c1 ZINC000000664641 132230298 /nfs/dbraw/zinc/23/02/98/132230298.db2.gz LTHAYWHNTOVDFB-NTUHNPAUSA-N 0 1 421.341 3.959 50 10 HHCAMN Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000001206988 132242394 /nfs/dbraw/zinc/24/23/94/132242394.db2.gz SFNCXUDCZWIGSG-XNTDXEJSSA-N 0 1 401.285 3.589 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000004620689 132280363 /nfs/dbraw/zinc/28/03/63/132280363.db2.gz QYOAQOMFRLRVLZ-VKAVYKQESA-N 0 1 409.486 3.647 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000004725193 132286036 /nfs/dbraw/zinc/28/60/36/132286036.db2.gz BYGIGKUGUXROJV-GDNBJRDFSA-N 0 1 416.886 3.579 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000008913852 132334053 /nfs/dbraw/zinc/33/40/53/132334053.db2.gz SVVDYUMVXPFBGQ-PTNGSMBKSA-N 0 1 401.875 3.776 50 10 HHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl ZINC000012362862 132359002 /nfs/dbraw/zinc/35/90/02/132359002.db2.gz LXCMYLZGUUMZRN-ZROIWOOFSA-N 0 1 400.887 3.797 50 10 HHCAMN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)on2)cc1 ZINC000012401868 132359419 /nfs/dbraw/zinc/35/94/19/132359419.db2.gz JIDSIXVZLZNGJO-KRWDZBQOSA-N 0 1 420.513 3.593 50 10 HHCAMN CCOC(=O)C1=C(CN(C)c2ccc(OCC)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560330 520507936 /nfs/dbraw/zinc/50/79/36/520507936.db2.gz MXYOLGUJOSIMQH-QFIPXVFZSA-N 0 1 423.513 3.701 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1 ZINC000020536307 524435158 /nfs/dbraw/zinc/43/51/58/524435158.db2.gz CREACZBXUYCVSN-FQEVSTJZSA-N 0 1 401.501 3.760 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000013615659 558549430 /nfs/dbraw/zinc/54/94/30/558549430.db2.gz UCZVMDXMZOEWNO-ZHZULCJRSA-N 0 1 416.433 3.893 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(O)cc1 ZINC000034222101 560589950 /nfs/dbraw/zinc/58/99/50/560589950.db2.gz PQBBXXONIWEJMM-ZSOIEALJSA-N 0 1 403.257 3.826 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1O ZINC000034221942 560589991 /nfs/dbraw/zinc/58/99/91/560589991.db2.gz AAQODDFPUDPRRB-LCYFTJDESA-N 0 1 403.257 3.826 50 10 HHCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000017245933 560705586 /nfs/dbraw/zinc/70/55/86/560705586.db2.gz CSRGXQVGNIHCBN-VBKFSLOCSA-N 0 1 407.392 3.970 50 10 HHCAMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNn1cnnc1 ZINC000101128221 560788322 /nfs/dbraw/zinc/78/83/22/560788322.db2.gz VNOBLFRJASDMBP-CIAFOILYSA-N 0 1 402.502 3.596 50 10 HHCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1 ZINC000102906891 560835158 /nfs/dbraw/zinc/83/51/58/560835158.db2.gz WISOJRVDPMKGJR-GRSHGNNSSA-N 0 1 420.469 3.871 50 10 HHCAMN CC(=O)Nc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000103864742 560844746 /nfs/dbraw/zinc/84/47/46/560844746.db2.gz IJCRHGQDHWZYTJ-BOPFTXTBSA-N 0 1 407.430 3.889 50 10 HHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1 ZINC000012391582 568696008 /nfs/dbraw/zinc/69/60/08/568696008.db2.gz ZPRJAQRYFSCXQQ-KRWDZBQOSA-N 0 1 420.465 3.752 50 10 HHCAMN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000064988092 569145609 /nfs/dbraw/zinc/14/56/09/569145609.db2.gz RLAQTWSPZSSYAE-UHFFFAOYSA-N 0 1 423.450 3.919 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)c2o1 ZINC000526052537 569239781 /nfs/dbraw/zinc/23/97/81/569239781.db2.gz MJNBWCXFQYNSNU-HSJYVMOXSA-N 0 1 406.526 3.894 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)c2o1 ZINC000526052537 569239782 /nfs/dbraw/zinc/23/97/82/569239782.db2.gz MJNBWCXFQYNSNU-HSJYVMOXSA-N 0 1 406.526 3.894 50 10 HHCAMN CC(C)OC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000013615671 569256686 /nfs/dbraw/zinc/25/66/86/569256686.db2.gz IXBJNSVFPVYAIZ-ZHZULCJRSA-N 0 1 416.433 3.973 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc43)C(=O)NC2=S)cc1 ZINC000001142791 960459026 /nfs/dbraw/zinc/45/90/26/960459026.db2.gz WIXLFNSELJBFSQ-LDADJPATSA-N 0 1 405.479 3.706 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000004567913 960608005 /nfs/dbraw/zinc/60/80/05/960608005.db2.gz RLUTXHNLZIYJRF-PDGQHHTCSA-N 0 1 411.914 3.772 50 10 HHCAMN CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000000686360 132230945 /nfs/dbraw/zinc/23/09/45/132230945.db2.gz FFMYOWAWFZRWHI-PDGQHHTCSA-N 0 1 405.479 3.501 50 10 HHCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001015620 536655326 /nfs/dbraw/zinc/65/53/26/536655326.db2.gz CCKOFBYXPRVBJB-UKTHLTGXSA-N 0 1 422.293 3.746 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=S)Nc3c(C)cccc3C)CC2)cc1 ZINC000004791717 536696393 /nfs/dbraw/zinc/69/63/93/536696393.db2.gz AMGXBVFXJSQSFQ-UHFFFAOYSA-N 0 1 412.603 3.811 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000004791706 536696410 /nfs/dbraw/zinc/69/64/10/536696410.db2.gz GCBDCCIKZVCEDQ-UHFFFAOYSA-N 0 1 402.926 3.682 50 10 HHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000002914902 536981599 /nfs/dbraw/zinc/98/15/99/536981599.db2.gz WUKDYRRBUHICMT-XYOKQWHBSA-N 0 1 407.278 3.833 50 10 HHCAMN CC1(C)OC(=O)C(=CN=c2[nH]c(-c3ccc(Br)cc3)cs2)C(=O)O1 ZINC000002543400 557355756 /nfs/dbraw/zinc/35/57/56/557355756.db2.gz YYUBEDOGQDAMOD-UHFFFAOYSA-N 0 1 409.261 3.705 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1 ZINC000020118053 558336739 /nfs/dbraw/zinc/33/67/39/558336739.db2.gz FXRTXSDYSHZCAI-SFHVURJKSA-N 0 1 419.491 3.899 50 10 HHCAMN O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000014197260 558634054 /nfs/dbraw/zinc/63/40/54/558634054.db2.gz HSSKUIJZOMYDNM-UHFFFAOYSA-N 0 1 404.466 3.807 50 10 HHCAMN CCCC[N@@H+](CC)Cc1c(=O)n(C(=O)c2ccc(C)cc2)[n-]c1-c1ccccc1O ZINC000025585276 558644907 /nfs/dbraw/zinc/64/49/07/558644907.db2.gz RIAXRFLQRQLAQH-HXUWFJFHSA-N 0 1 407.514 3.826 50 10 HHCAMN CCCC[N@H+](CC)Cc1c([O-])n(C(=O)c2ccc(C)cc2)nc1-c1ccccc1O ZINC000025585276 558644911 /nfs/dbraw/zinc/64/49/11/558644911.db2.gz RIAXRFLQRQLAQH-HXUWFJFHSA-N 0 1 407.514 3.826 50 10 HHCAMN CCCC[N@@H+](CC)Cc1c([O-])n(C(=O)c2ccc(C)cc2)nc1-c1ccccc1O ZINC000025585276 558644914 /nfs/dbraw/zinc/64/49/14/558644914.db2.gz RIAXRFLQRQLAQH-HXUWFJFHSA-N 0 1 407.514 3.826 50 10 HHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000015010278 558699897 /nfs/dbraw/zinc/69/98/97/558699897.db2.gz SCBSDEJIGJTPBR-PKNBQFBNSA-N 0 1 407.278 3.833 50 10 HHCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000016182959 558775524 /nfs/dbraw/zinc/77/55/24/558775524.db2.gz ULLCRNJKBINZHJ-MTJSOVHGSA-N 0 1 405.429 3.993 50 10 HHCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000017027730 558812163 /nfs/dbraw/zinc/81/21/63/558812163.db2.gz UTSXTFBMAFSULH-XNTDXEJSSA-N 0 1 423.425 3.765 50 10 HHCAMN Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1 ZINC000013799420 558883292 /nfs/dbraw/zinc/88/32/92/558883292.db2.gz XSXRGZVWSBGSKK-QJOMJCCJSA-N 0 1 414.461 3.914 50 10 HHCAMN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c1 ZINC000033333414 559063338 /nfs/dbraw/zinc/06/33/38/559063338.db2.gz SBBLBDRUBMCTHP-LDADJPATSA-N 0 1 422.824 3.848 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@H]43)c2o1 ZINC000526052538 560640193 /nfs/dbraw/zinc/64/01/93/560640193.db2.gz MJNBWCXFQYNSNU-ORVPSHMPSA-N 0 1 406.526 3.894 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@H]43)c2o1 ZINC000526052538 560640195 /nfs/dbraw/zinc/64/01/95/560640195.db2.gz MJNBWCXFQYNSNU-ORVPSHMPSA-N 0 1 406.526 3.894 50 10 HHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C ZINC000002262610 560730914 /nfs/dbraw/zinc/73/09/14/560730914.db2.gz DNGXZUNKRHKDHZ-XYOKQWHBSA-N 0 1 408.310 3.780 50 10 HHCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101150106 560788764 /nfs/dbraw/zinc/78/87/64/560788764.db2.gz HGWNDGILZUPKSX-CXUHLZMHSA-N 0 1 401.766 3.875 50 10 HHCAMN CC(C)(C)c1c(O)c(CN2CCOCC2(C)C)cc(O)c1CN1CCOCC1(C)C ZINC000095985521 568675839 /nfs/dbraw/zinc/67/58/39/568675839.db2.gz RDJGKVPPARHTNF-UHFFFAOYSA-N 0 1 420.594 3.617 50 10 HHCAMN CC(C)c1nc2ccc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)cc2[nH]1 ZINC000096363665 568739454 /nfs/dbraw/zinc/73/94/54/568739454.db2.gz PAEHPCBWHLLPNZ-UHFFFAOYSA-N 0 1 406.530 3.772 50 10 HHCAMN COc1ccc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c(O)c1 ZINC000299787818 568875656 /nfs/dbraw/zinc/87/56/56/568875656.db2.gz RACDLZUXOPIZRK-UXHICEINSA-N 0 1 418.534 3.800 50 10 HHCAMN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@H+]3CC[C@@H](c4ccccc4)C3)c2oc1=O ZINC000085875423 569009546 /nfs/dbraw/zinc/00/95/46/569009546.db2.gz IUHARTVWJBCXCE-QGZVFWFLSA-N 0 1 407.466 3.512 50 10 biogenic HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccccc1 ZINC000006194176 569031341 /nfs/dbraw/zinc/03/13/41/569031341.db2.gz YWTDYTPMDQNKAV-PYCFMQQDSA-N 0 1 414.461 3.996 50 10 HHCAMN COCCC[N@@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729194 569051550 /nfs/dbraw/zinc/05/15/50/569051550.db2.gz IDVMIFUOORNCTR-PZJWPPBQSA-N 0 1 414.546 3.602 50 10 HHCAMN COCCC[N@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729194 569051551 /nfs/dbraw/zinc/05/15/51/569051551.db2.gz IDVMIFUOORNCTR-PZJWPPBQSA-N 0 1 414.546 3.602 50 10 HHCAMN CCCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729661 569212198 /nfs/dbraw/zinc/21/21/98/569212198.db2.gz CLZROTDGFBWIRR-AEFFLSMTSA-N 0 1 420.509 3.622 50 10 HHCAMN COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1 ZINC000014977316 962616789 /nfs/dbraw/zinc/61/67/89/962616789.db2.gz PBOAHENZCSLJNE-QGZVFWFLSA-N 0 1 402.502 3.680 50 10 HHCAMN CCOc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000006784053 132316333 /nfs/dbraw/zinc/31/63/33/132316333.db2.gz AKWWHGBYRDAZQB-PDGQHHTCSA-N 0 1 405.479 3.820 50 10 HHCAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C ZINC000001160656 537078024 /nfs/dbraw/zinc/07/80/24/537078024.db2.gz VXGSDCAFXSXBSQ-LDADJPATSA-N 0 1 424.522 3.931 50 10 HHCAMN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000015010714 558700104 /nfs/dbraw/zinc/70/01/04/558700104.db2.gz VZKNRJCCHOFAFG-WJDWOHSUSA-N 0 1 416.480 3.753 50 10 HHCAMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNn1cnnc1 ZINC000017193974 558825393 /nfs/dbraw/zinc/82/53/93/558825393.db2.gz VNOBLFRJASDMBP-MTJSOVHGSA-N 0 1 402.502 3.596 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000001196450 560727696 /nfs/dbraw/zinc/72/76/96/560727696.db2.gz RDPHMZXIGRUCLB-YRNVUSSQSA-N 0 1 411.664 3.527 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000022135468 568475722 /nfs/dbraw/zinc/47/57/22/568475722.db2.gz KAXGSYSNMANGGZ-LHQXNBGVSA-N 0 1 413.296 3.837 50 10 HHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3-c3ccccc3)CC2)cc1 ZINC000012420116 568719530 /nfs/dbraw/zinc/71/95/30/568719530.db2.gz JGPIZCYHSHUITB-HSZRJFAPSA-N 0 1 418.537 3.924 50 10 HHCAMN COc1ccc(N2CCN(C(=O)CN[C@H](c3cccs3)c3ccccc3)CC2)cc1 ZINC000057435070 568836630 /nfs/dbraw/zinc/83/66/30/568836630.db2.gz HZJCRNNVIDYIIT-DEOSSOPVSA-N 0 1 421.566 3.785 50 10 HHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1ccccc1 ZINC000002220895 569312923 /nfs/dbraw/zinc/31/29/23/569312923.db2.gz IGDDJXNGLVUJAS-RGEXLXHISA-N 0 1 405.410 3.662 50 10 HHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl ZINC000001194070 132241446 /nfs/dbraw/zinc/24/14/46/132241446.db2.gz WVWHULLTKIDLIO-GXDHUFHOSA-N 0 1 400.887 3.878 50 10 HHCAMN COc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1 ZINC000008996001 132334835 /nfs/dbraw/zinc/33/48/35/132334835.db2.gz FHYTZFXWNWBIEN-UYRXBGFRSA-N 0 1 407.495 3.538 50 10 HHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000012363188 132359009 /nfs/dbraw/zinc/35/90/09/132359009.db2.gz YYXYDSYNEGKBIO-ZROIWOOFSA-N 0 1 400.887 3.797 50 10 HHCAMN COc1cc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1 ZINC000000623593 557020250 /nfs/dbraw/zinc/02/02/50/557020250.db2.gz KRPNZLNLWGWQRK-NDENLUEZSA-N 0 1 418.424 3.875 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906797 558421001 /nfs/dbraw/zinc/42/10/01/558421001.db2.gz TUYCMZGYPAETAZ-DEOSSOPVSA-N 0 1 407.558 3.684 50 10 HHCAMN CCCCN1CCc2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 ZINC000013842508 558597103 /nfs/dbraw/zinc/59/71/03/558597103.db2.gz ZNYAWUSSSUMYKI-CYVLTUHYSA-N 0 1 405.523 3.681 50 10 HHCAMN COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c1 ZINC000017146068 558824100 /nfs/dbraw/zinc/82/41/00/558824100.db2.gz DERQLWVPWRZIBV-MOSHPQCFSA-N 0 1 416.433 3.811 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1 ZINC000055568661 558882736 /nfs/dbraw/zinc/88/27/36/558882736.db2.gz KRJFBFCJZLWECQ-LJQANCHMSA-N 0 1 413.949 3.775 50 10 HHCAMN COc1cc(/C=C2\C(=O)NN(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1 ZINC000033330507 559062028 /nfs/dbraw/zinc/06/20/28/559062028.db2.gz KRPNZLNLWGWQRK-UDWIEESQSA-N 0 1 418.424 3.875 50 10 HHCAMN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(O)=COc2ccccc2)cc1 ZINC000014610806 559171073 /nfs/dbraw/zinc/17/10/73/559171073.db2.gz PHWFIHLGJQBNIO-UHFFFAOYSA-N 0 1 417.469 3.935 50 10 HHCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 ZINC000005098018 559245237 /nfs/dbraw/zinc/24/52/37/559245237.db2.gz NARJOUPPBGGIOT-INIZCTEOSA-N 0 1 406.324 3.675 50 10 HHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000016183001 560859364 /nfs/dbraw/zinc/85/93/64/560859364.db2.gz IFQCXJKYUDZWJY-UDWIEESQSA-N 0 1 417.465 3.966 50 10 HHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000022130580 568475813 /nfs/dbraw/zinc/47/58/13/568475813.db2.gz DWMAVSDWOKTKNS-CPNJWEJPSA-N 0 1 423.538 3.681 50 10 HHCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1O ZINC000085875558 569009523 /nfs/dbraw/zinc/00/95/23/569009523.db2.gz KKLSBJAMYOTHHJ-UHFFFAOYSA-N 0 1 421.409 3.997 50 10 biogenic HHCAMN O=S(=O)(Nc1ccc(O)cc1OC(F)(F)F)c1ccc(OCC(F)F)cc1 ZINC000170617700 569247801 /nfs/dbraw/zinc/24/78/01/569247801.db2.gz GQTRFYWGZHHGTA-UHFFFAOYSA-N 0 1 413.320 3.736 50 10 HHCAMN CN(C)[C@H](CNS(=O)(=O)c1cccc2ccccc21)c1ccc2c(c1)CCCN2C ZINC000008798895 571120409 /nfs/dbraw/zinc/12/04/09/571120409.db2.gz YHADBJLEJJKGFP-HSZRJFAPSA-N 0 1 423.582 3.803 50 10 HHCAMN CN(C)[C@@H](CNS(=O)(=O)c1cccc2ccccc21)c1ccc2c(c1)CCCN2C ZINC000008798896 571120498 /nfs/dbraw/zinc/12/04/98/571120498.db2.gz YHADBJLEJJKGFP-QHCPKHFHSA-N 0 1 423.582 3.803 50 10 HHCAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 ZINC000008963324 571190371 /nfs/dbraw/zinc/19/03/71/571190371.db2.gz DWXJMHNUOUQJLP-KRWDZBQOSA-N 0 1 418.335 3.601 50 10 HHCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001175753 960461480 /nfs/dbraw/zinc/46/14/80/960461480.db2.gz YJEAPFWLHGWJPO-ATVHPVEESA-N 0 1 409.398 3.649 50 10 HHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc12 ZINC000022107461 963593013 /nfs/dbraw/zinc/59/30/13/963593013.db2.gz GODCVMGVYPKGMP-UYRXBGFRSA-N 0 1 402.475 3.988 50 10 HHCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 ZINC000001131229 132238408 /nfs/dbraw/zinc/23/84/08/132238408.db2.gz XVOKOBVFMBKZKJ-LDADJPATSA-N 0 1 423.513 3.874 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001173985 132240242 /nfs/dbraw/zinc/24/02/42/132240242.db2.gz BZZRYPZQNODVPD-QGOAFFKASA-N 0 1 407.882 3.962 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000002915687 132259447 /nfs/dbraw/zinc/25/94/47/132259447.db2.gz RYXDAFVLFWSHAN-YRNVUSSQSA-N 0 1 411.664 3.527 50 10 HHCAMN Cc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000004743338 132287032 /nfs/dbraw/zinc/28/70/32/132287032.db2.gz HLZGLWHZUBSLRK-GDNBJRDFSA-N 0 1 401.285 3.589 50 10 HHCAMN Cc1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000013810189 558595436 /nfs/dbraw/zinc/59/54/36/558595436.db2.gz ROEXFZAJBJTTKN-QJOMJCCJSA-N 0 1 414.461 3.914 50 10 HHCAMN COc1cccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c1OCc1ccccc1 ZINC000016225266 558779439 /nfs/dbraw/zinc/77/94/39/558779439.db2.gz OULODOYHHOOZHS-ZHZULCJRSA-N 0 1 418.424 3.875 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1 ZINC000055576326 558883151 /nfs/dbraw/zinc/88/31/51/558883151.db2.gz YKVOSMKHPGVYJX-HSZRJFAPSA-N 0 1 419.569 3.540 50 10 HHCAMN CSc1ccc2c(c1)[C@@H](N1CCN(CCCO)CC1)Cc1ccc(O)cc1S2 ZINC000022590954 559015047 /nfs/dbraw/zinc/01/50/47/559015047.db2.gz HLZPAJSIDRQQSZ-FQEVSTJZSA-N 0 1 416.612 3.863 50 10 HHCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100044290 559115997 /nfs/dbraw/zinc/11/59/97/559115997.db2.gz SMHDHVQBAHSFAD-ZROIWOOFSA-N 0 1 401.766 3.875 50 10 HHCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000004818885 559118192 /nfs/dbraw/zinc/11/81/92/559118192.db2.gz HDUKZLOZLRBSPW-PDGQHHTCSA-N 0 1 408.801 3.500 50 10 HHCAMN CCCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)s1 ZINC000100163539 559167452 /nfs/dbraw/zinc/16/74/52/559167452.db2.gz VSFCCPCRCHNUQT-UKTHLTGXSA-N 0 1 406.309 3.972 50 10 HHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1OC ZINC000012390495 568694970 /nfs/dbraw/zinc/69/49/70/568694970.db2.gz USXPAYCQVJBPTA-AWEZNQCLSA-N 0 1 424.453 3.580 50 10 HHCAMN CCCn1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000002387740 569392351 /nfs/dbraw/zinc/39/23/51/569392351.db2.gz YFOJUOWYNAQMFT-HMMYKYKNSA-N 0 1 401.466 3.960 50 10 HHCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 ZINC000008963323 571190500 /nfs/dbraw/zinc/19/05/00/571190500.db2.gz DWXJMHNUOUQJLP-QGZVFWFLSA-N 0 1 418.335 3.601 50 10 HHCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000001163755 132239783 /nfs/dbraw/zinc/23/97/83/132239783.db2.gz VDCSGRWOVZGDEX-LDADJPATSA-N 0 1 409.417 3.587 50 10 HHCAMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)C(=O)NC1=S ZINC000001173783 132240184 /nfs/dbraw/zinc/24/01/84/132240184.db2.gz LDKKWOYFTNNKKR-GXDHUFHOSA-N 0 1 400.887 3.742 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)NC2=S)c(C)c1 ZINC000009262625 132337775 /nfs/dbraw/zinc/33/77/75/132337775.db2.gz LTHAYWHNTOVDFB-QPEQYQDCSA-N 0 1 421.341 3.959 50 10 HHCAMN CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)ccc21 ZINC000009424434 535275556 /nfs/dbraw/zinc/27/55/56/535275556.db2.gz HBOLJQXOAWWLMS-XMHGGMMESA-N 0 1 423.513 3.820 50 10 HHCAMN COc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 ZINC000001240977 536657746 /nfs/dbraw/zinc/65/77/46/536657746.db2.gz WFHKXEQHWBWHMD-XMHGGMMESA-N 0 1 407.495 3.967 50 10 HHCAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCCOc2ccccc2)cc1 ZINC000004321136 557540673 /nfs/dbraw/zinc/54/06/73/557540673.db2.gz KVXCJDBYPIEREP-JOCHJYFZSA-N 0 1 423.513 3.783 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)SC2=S)cc1 ZINC000015685398 558748937 /nfs/dbraw/zinc/74/89/37/558748937.db2.gz HKZMHQRCZQGVRB-NVNXTCNLSA-N 0 1 418.452 3.723 50 10 HHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC ZINC000012296804 568462429 /nfs/dbraw/zinc/46/24/29/568462429.db2.gz NHDFXFXYSOHDOB-MRXNPFEDSA-N 0 1 420.465 3.752 50 10 biogenic HHCAMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)C(=O)NC2=S)cc1 ZINC000220968137 568509329 /nfs/dbraw/zinc/50/93/29/568509329.db2.gz LNENSOMXLXRKCT-XDHOZWIPSA-N 0 1 409.511 3.670 50 10 HHCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc2c1OCCO2 ZINC000217877750 568917288 /nfs/dbraw/zinc/91/72/88/568917288.db2.gz XWLHPGBROGRYKU-UHFFFAOYSA-N 0 1 405.366 3.715 50 10 biogenic HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 ZINC000007991591 568967209 /nfs/dbraw/zinc/96/72/09/568967209.db2.gz RFMOXJHOOXIYIA-SILNSSARSA-N 0 1 410.518 3.798 50 10 HHCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1 ZINC000007991591 568967211 /nfs/dbraw/zinc/96/72/11/568967211.db2.gz RFMOXJHOOXIYIA-SILNSSARSA-N 0 1 410.518 3.798 50 10 HHCAMN Cc1ccc(OCCSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1Cl ZINC000006915833 569181089 /nfs/dbraw/zinc/18/10/89/569181089.db2.gz CPDHCPOXCRHOFL-UHFFFAOYSA-N 0 1 402.863 3.811 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000000631928 132229571 /nfs/dbraw/zinc/22/95/71/132229571.db2.gz RVOBFXSTOJJNNI-FYWRMAATSA-N 0 1 413.474 3.630 50 10 HHCAMN Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000001151032 132239202 /nfs/dbraw/zinc/23/92/02/132239202.db2.gz WLVUSYMPOUIQPU-ZHZULCJRSA-N 0 1 423.513 3.956 50 10 HHCAMN COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000040416070 522736690 /nfs/dbraw/zinc/73/66/90/522736690.db2.gz SVVFLKOQHDDJAF-UHFFFAOYSA-N 0 1 406.885 3.829 50 10 HHCAMN COc1ccc(N2C(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C(=O)NC2=S)cc1 ZINC000000712441 536659854 /nfs/dbraw/zinc/65/98/54/536659854.db2.gz MZCBTUKHBLHMNI-WQRHYEAKSA-N 0 1 419.462 3.982 50 10 biogenic HHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000004792128 536697344 /nfs/dbraw/zinc/69/73/44/536697344.db2.gz PDYNEHPXIDKNAK-UHFFFAOYSA-N 0 1 414.575 3.751 50 10 HHCAMN Cn1c(=O)cc2c3c1ccc(NS(=O)(=O)c1ccccc1)c3C(=O)c1ccccc1-2 ZINC000001078130 557174568 /nfs/dbraw/zinc/17/45/68/557174568.db2.gz WJSRFFNGNHNJLM-UHFFFAOYSA-N 0 1 416.458 3.551 50 10 HHCAMN CCCOc1ccccc1/C=C1\C(=O)NN(c2cccc(Br)c2)C1=O ZINC000013600979 558547549 /nfs/dbraw/zinc/54/75/49/558547549.db2.gz WDTHFHASNKRDQW-LFIBNONCSA-N 0 1 401.260 3.699 50 10 HHCAMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375066 558554596 /nfs/dbraw/zinc/55/45/96/558554596.db2.gz XQYGSPWTMYUSTE-OAQYLSRUSA-N 0 1 403.929 3.971 50 10 HHCAMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375066 558554598 /nfs/dbraw/zinc/55/45/98/558554598.db2.gz XQYGSPWTMYUSTE-OAQYLSRUSA-N 0 1 403.929 3.971 50 10 HHCAMN COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000016195016 558777849 /nfs/dbraw/zinc/77/78/49/558777849.db2.gz XCNGIKAKVHVOMZ-NVNXTCNLSA-N 0 1 402.453 3.710 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1 ZINC000055576328 558883189 /nfs/dbraw/zinc/88/31/89/558883189.db2.gz YKVOSMKHPGVYJX-QHCPKHFHSA-N 0 1 419.569 3.540 50 10 HHCAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc([NH+](CC)CC)cc2)C1=O ZINC000100799095 559268280 /nfs/dbraw/zinc/26/82/80/559268280.db2.gz MYOZOPXTSIPVMP-OBGWFSINSA-N 0 1 422.485 3.510 50 10 HHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCCC3 ZINC000012297042 568462983 /nfs/dbraw/zinc/46/29/83/568462983.db2.gz JCHCHMVVCHQLIH-MRXNPFEDSA-N 0 1 418.449 3.853 50 10 biogenic HHCAMN Cc1cc(NC(=O)CN(C)Cc2c(O)ccc3cc(Br)ccc32)no1 ZINC000095469822 568625922 /nfs/dbraw/zinc/62/59/22/568625922.db2.gz RUHIZYBWSGCIBK-UHFFFAOYSA-N 0 1 404.264 3.675 50 10 HHCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cnn2cccnc12 ZINC000095477521 568631332 /nfs/dbraw/zinc/63/13/32/568631332.db2.gz FHZGTYSNDMQPIG-UHFFFAOYSA-N 0 1 416.397 3.738 50 10 HHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000096254762 568712076 /nfs/dbraw/zinc/71/20/76/568712076.db2.gz MUEJTGQSLLHXLF-XYOKQWHBSA-N 0 1 407.278 3.833 50 10 HHCAMN CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)C(=O)NC1=S ZINC000006574304 569066673 /nfs/dbraw/zinc/06/66/73/569066673.db2.gz LDKKWOYFTNNKKR-UVTDQMKNSA-N 0 1 400.887 3.742 50 10 HHCAMN CN(C)CCCNc1cc(N2CCCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006664094 569085736 /nfs/dbraw/zinc/08/57/36/569085736.db2.gz ZLGJUHXQTRRWRU-UHFFFAOYSA-N 0 1 420.557 3.788 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccccc2)c1 ZINC000002365150 569388063 /nfs/dbraw/zinc/38/80/63/569388063.db2.gz VKQKIHBNYJJKRS-OQKWZONESA-N 0 1 400.434 3.606 50 10 HHCAMN CCn1cc(C=C2C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000002399374 569394751 /nfs/dbraw/zinc/39/47/51/569394751.db2.gz GIIMMICXYDHJDR-XDHOZWIPSA-N 0 1 403.438 3.536 50 10 HHCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000004991423 960636253 /nfs/dbraw/zinc/63/62/53/960636253.db2.gz RXURZYIPEKGCTO-RVDMUPIBSA-N 0 1 405.435 3.626 50 10 HHCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c4ccccc34)C2=O)cc1 ZINC000005043842 960644638 /nfs/dbraw/zinc/64/46/38/960644638.db2.gz BWDDGUMIYSADHC-DEDYPNTBSA-N 0 1 416.433 3.519 50 10 HHCAMN C[C@@H](NC=C1C(=O)NC(=S)N(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000002372559 132253412 /nfs/dbraw/zinc/25/34/12/132253412.db2.gz XVUWYJJVLUXNSU-ATPAHOSSSA-N 0 1 401.491 3.822 50 10 HHCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(F)cc2)C(=O)NC1=S ZINC000006791217 132316578 /nfs/dbraw/zinc/31/65/78/132316578.db2.gz GBJGJANJUQTIGA-ZROIWOOFSA-N 0 1 419.275 3.728 50 10 HHCAMN CN(CC(=O)N(C)Cc1ccc2c(c1)OCCO2)Cc1ccc(N2CCCCC2)cc1 ZINC000012597599 132364855 /nfs/dbraw/zinc/36/48/55/132364855.db2.gz VARBEDFSGBBMKN-UHFFFAOYSA-N 0 1 423.557 3.539 50 10 HHCAMN CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000032815311 519706974 /nfs/dbraw/zinc/70/69/74/519706974.db2.gz CYNXSWWNIXUPGK-UHFFFAOYSA-N 0 1 408.785 3.824 50 10 HHCAMN CCCC[N@@H+](CC)Cc1c(=O)n(C(=O)c2ccc(C)cc2)[n-]c1-c1ccccc1O ZINC000005503329 557658735 /nfs/dbraw/zinc/65/87/35/557658735.db2.gz RIAXRFLQRQLAQH-FQEVSTJZSA-N 0 1 407.514 3.826 50 10 HHCAMN CCCC[N@H+](CC)Cc1c([O-])n(C(=O)c2ccc(C)cc2)nc1-c1ccccc1O ZINC000005503329 557658738 /nfs/dbraw/zinc/65/87/38/557658738.db2.gz RIAXRFLQRQLAQH-FQEVSTJZSA-N 0 1 407.514 3.826 50 10 HHCAMN CCCC[N@@H+](CC)Cc1c([O-])n(C(=O)c2ccc(C)cc2)nc1-c1ccccc1O ZINC000005503329 557658739 /nfs/dbraw/zinc/65/87/39/557658739.db2.gz RIAXRFLQRQLAQH-FQEVSTJZSA-N 0 1 407.514 3.826 50 10 HHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000013600976 558547581 /nfs/dbraw/zinc/54/75/81/558547581.db2.gz XFYAJGSVARDVMI-PDGQHHTCSA-N 0 1 414.303 3.757 50 10 HHCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000017145590 558823854 /nfs/dbraw/zinc/82/38/54/558823854.db2.gz XWKMGRCWVYKKKK-DHDCSXOGSA-N 0 1 412.467 3.692 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000023224606 559062540 /nfs/dbraw/zinc/06/25/40/559062540.db2.gz RRGUEBZWXJAPMN-SWCONJRYSA-N 0 1 404.595 3.800 50 10 HHCAMN COc1ccc(OCc2ccccc2F)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000001121928 568772940 /nfs/dbraw/zinc/77/29/40/568772940.db2.gz WYUFXCNGUPOFCP-XSFVSMFZSA-N 0 1 418.424 3.875 50 10 HHCAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12 ZINC000001247770 568908622 /nfs/dbraw/zinc/90/86/22/568908622.db2.gz LSCIVGJMWOROAU-XDHOZWIPSA-N 0 1 404.397 3.854 50 10 HHCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(O)c(O)c1 ZINC000085879857 569009863 /nfs/dbraw/zinc/00/98/63/569009863.db2.gz HWWQHAXBIVFEMJ-UHFFFAOYSA-N 0 1 407.382 3.694 50 10 biogenic HHCAMN Cc1cc(Br)c(O)c([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000001756434 569052040 /nfs/dbraw/zinc/05/20/40/569052040.db2.gz NXDQHZDLIIEYSV-WBVHZDCISA-N 0 1 401.260 3.633 50 10 biogenic HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 ZINC000002174739 569293329 /nfs/dbraw/zinc/29/33/29/569293329.db2.gz YQWOSCWTZHEBGP-XNTDXEJSSA-N 0 1 410.792 3.523 50 10 HHCAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000022185083 963604090 /nfs/dbraw/zinc/60/40/90/963604090.db2.gz YHIHRYVTAPDHED-NTEUORMPSA-N 0 1 420.321 3.891 50 10 HHCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000000756387 132232547 /nfs/dbraw/zinc/23/25/47/132232547.db2.gz PLMYOMIDCWTSPE-RVDMUPIBSA-N 0 1 419.462 3.935 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000001061760 132236002 /nfs/dbraw/zinc/23/60/02/132236002.db2.gz VHJABYDVKVNFNH-UXBLZVDNSA-N 0 1 421.261 3.553 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000001195326 132241423 /nfs/dbraw/zinc/24/14/23/132241423.db2.gz BNCRQFBOSQNATA-XNTDXEJSSA-N 0 1 401.285 3.589 50 10 HHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccnc1 ZINC000001219210 132242918 /nfs/dbraw/zinc/24/29/18/132242918.db2.gz IUEFAURGOYWVMO-XDHOZWIPSA-N 0 1 416.506 3.629 50 10 HHCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccs2)C(=O)NC1=S ZINC000004738998 132286359 /nfs/dbraw/zinc/28/63/59/132286359.db2.gz UPQSJGDQZGXXGW-XYOKQWHBSA-N 0 1 407.314 3.650 50 10 HHCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000006418015 132310898 /nfs/dbraw/zinc/31/08/98/132310898.db2.gz WJSSRWYAJYOADI-XSFVSMFZSA-N 0 1 406.486 3.728 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000004738881 536657844 /nfs/dbraw/zinc/65/78/44/536657844.db2.gz AWRQXBOSAOIJJF-XSFVSMFZSA-N 0 1 417.490 3.626 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000012557370 536697363 /nfs/dbraw/zinc/69/73/63/536697363.db2.gz JTVCVLQFFXAGSJ-UHFFFAOYSA-N 0 1 402.926 3.682 50 10 HHCAMN O=C(c1cc2ccccc2c(C[N@H+]2CCc3ccccc3C2)c1[O-])N1CCOCC1 ZINC000023907631 558580938 /nfs/dbraw/zinc/58/09/38/558580938.db2.gz PFDFROLZAZNAEY-UHFFFAOYSA-N 0 1 402.494 3.576 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNc1ccc(F)cc1 ZINC000098086653 559065318 /nfs/dbraw/zinc/06/53/18/559065318.db2.gz CRQFVJOTSSMULU-WQLSENKSSA-N 0 1 410.257 3.876 50 10 HHCAMN CCOc1ccccc1-n1cccc1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000020210253 568594368 /nfs/dbraw/zinc/59/43/68/568594368.db2.gz VJFNMNZJLKITSB-LGMDPLHJSA-N 0 1 405.410 3.971 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1O ZINC000001180342 568822075 /nfs/dbraw/zinc/82/20/75/568822075.db2.gz IFVABRNXQNWUAS-JXMROGBWSA-N 0 1 423.277 3.539 50 10 HHCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001306698 568913552 /nfs/dbraw/zinc/91/35/52/568913552.db2.gz NRXNPZVFDIWANY-UDWIEESQSA-N 0 1 403.438 3.862 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1 ZINC000001179520 568930464 /nfs/dbraw/zinc/93/04/64/568930464.db2.gz ZREWORXGJRKQHE-XSFVSMFZSA-N 0 1 415.405 3.635 50 10 HHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000001197505 960461321 /nfs/dbraw/zinc/46/13/21/960461321.db2.gz HFXHAYJOZMYYIR-CPNJWEJPSA-N 0 1 402.475 3.988 50 10 HHCAMN Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(CCC4=CCCCC4)C3=O)cn2)cc1 ZINC000016213550 962983892 /nfs/dbraw/zinc/98/38/92/962983892.db2.gz ZTYNMICMHHSQQZ-MOSHPQCFSA-N 0 1 404.470 3.533 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 ZINC000000979753 524383913 /nfs/dbraw/zinc/38/39/13/524383913.db2.gz AVQCQDZVCVVEJH-LDADJPATSA-N 0 1 422.437 3.926 50 10 HHCAMN CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000001199683 557238572 /nfs/dbraw/zinc/23/85/72/557238572.db2.gz GYEBCVDGOYRISM-AWNIVKPZSA-N 0 1 423.227 3.803 50 10 HHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCCOc2ccccc2)cc1 ZINC000004321137 557540583 /nfs/dbraw/zinc/54/05/83/557540583.db2.gz KVXCJDBYPIEREP-QFIPXVFZSA-N 0 1 423.513 3.783 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 ZINC000020109651 558334730 /nfs/dbraw/zinc/33/47/30/558334730.db2.gz TWTHONKUBNGVOX-NRFANRHFSA-N 0 1 412.574 3.863 50 10 HHCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000013940208 558604194 /nfs/dbraw/zinc/60/41/94/558604194.db2.gz MJWFJHPMYDZYEC-ATVHPVEESA-N 0 1 409.398 3.649 50 10 HHCAMN COc1ccccc1N1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000033333326 559063241 /nfs/dbraw/zinc/06/32/41/559063241.db2.gz VVNQXJUUIQEWPX-LGMDPLHJSA-N 0 1 419.462 3.863 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccccc1 ZINC000004812489 559069540 /nfs/dbraw/zinc/06/95/40/559069540.db2.gz RAIVONBTQIWTTG-FXBPSFAMSA-N 0 1 400.434 3.606 50 10 HHCAMN CCOC(=O)c1c(C)[nH]nc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103668010 559156720 /nfs/dbraw/zinc/15/67/20/559156720.db2.gz ZYLRHQICOVSFPF-AMSVNNNPSA-N 0 1 416.441 3.798 50 10 HHCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100148685 559164558 /nfs/dbraw/zinc/16/45/58/559164558.db2.gz DZVXVGAGDNGLGG-CXUHLZMHSA-N 0 1 401.766 3.875 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000000678056 568461237 /nfs/dbraw/zinc/46/12/37/568461237.db2.gz LRIVHBGJSNUONR-XMHGGMMESA-N 0 1 402.406 3.585 50 10 HHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1 ZINC000012389942 568693608 /nfs/dbraw/zinc/69/36/08/568693608.db2.gz IUFOXFHKKNKDGZ-MRXNPFEDSA-N 0 1 408.454 3.880 50 10 HHCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022589358 568771190 /nfs/dbraw/zinc/77/11/90/568771190.db2.gz OQSNVTNKJIGDTJ-RUZDIDTESA-N 0 1 416.569 3.624 50 10 HHCAMN COc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)cc2c1 ZINC000217924421 568919985 /nfs/dbraw/zinc/91/99/85/568919985.db2.gz AWPFNDKKTMYUSJ-UHFFFAOYSA-N 0 1 414.377 3.786 50 10 biogenic HHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001756276 569052044 /nfs/dbraw/zinc/05/20/44/569052044.db2.gz OZYQTYYVJNUVMW-MHWRWJLKSA-N 0 1 407.338 3.950 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)cc1 ZINC000239434054 569054407 /nfs/dbraw/zinc/05/44/07/569054407.db2.gz YXWLUFJYUXOUAJ-BKXMBWNOSA-N 0 1 404.595 3.656 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2)cc1 ZINC000001826629 569056263 /nfs/dbraw/zinc/05/62/63/569056263.db2.gz UBJSTPBOBJGDCT-OQKWZONESA-N 0 1 400.434 3.606 50 10 HHCAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1N1CCOCC1 ZINC000006909222 569178777 /nfs/dbraw/zinc/17/87/77/569178777.db2.gz NHAZYTMPHHWYER-UHFFFAOYSA-N 0 1 402.907 3.784 50 10 HHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(O)c1 ZINC000008974466 571197470 /nfs/dbraw/zinc/19/74/70/571197470.db2.gz JVMAKHUXDNKXCP-XMHGGMMESA-N 0 1 411.502 3.591 50 10 HHCAMN COc1cccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)NC2=S)c1 ZINC000001197572 960461303 /nfs/dbraw/zinc/46/13/03/960461303.db2.gz YCIVFDHHDGUSFT-LVVPDBGKSA-N 0 1 409.423 3.831 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000022107466 963592945 /nfs/dbraw/zinc/59/29/45/963592945.db2.gz BRHJVXBLNPHCFF-UYRXBGFRSA-N 0 1 418.474 3.688 50 10 HHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1OC ZINC000002590860 132255719 /nfs/dbraw/zinc/25/57/19/132255719.db2.gz SLAKFHCLGSJLKY-SDNWHVSQSA-N 0 1 412.467 3.692 50 10 HHCAMN Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000012363690 132359011 /nfs/dbraw/zinc/35/90/11/132359011.db2.gz JLNPOBNXLAERPD-WQLSENKSSA-N 0 1 421.341 3.959 50 10 HHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000012362848 132359049 /nfs/dbraw/zinc/35/90/49/132359049.db2.gz BUURBIQHYCBYDE-XSFVSMFZSA-N 0 1 401.491 3.925 50 10 HHCAMN CCOC(=O)C1=C(CN(C)c2ccc(OCC)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560328 520508219 /nfs/dbraw/zinc/50/82/19/520508219.db2.gz MXYOLGUJOSIMQH-JOCHJYFZSA-N 0 1 423.513 3.701 50 10 HHCAMN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 ZINC000000706489 557063952 /nfs/dbraw/zinc/06/39/52/557063952.db2.gz NYFQDEIZRGROGV-JOCHJYFZSA-N 0 1 423.513 3.913 50 10 HHCAMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Br)ccc1Br ZINC000003324384 557473413 /nfs/dbraw/zinc/47/34/13/557473413.db2.gz GTZQAJXFDSLENS-UHFFFAOYSA-N 0 1 407.083 3.718 50 10 HHCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000004676841 558888813 /nfs/dbraw/zinc/88/88/13/558888813.db2.gz FVOYGOQGNZKTIN-MTJSOVHGSA-N 0 1 417.465 3.966 50 10 HHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1 ZINC000012389941 568693642 /nfs/dbraw/zinc/69/36/42/568693642.db2.gz IUFOXFHKKNKDGZ-INIZCTEOSA-N 0 1 408.454 3.880 50 10 HHCAMN Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)o1 ZINC000096114144 568693644 /nfs/dbraw/zinc/69/36/44/568693644.db2.gz XSTKBIUPMZNKJC-LBPRGKRZSA-N 0 1 420.373 3.919 50 10 biogenic HHCAMN CC(C)(C)N1C(=O)NC(=O)C(=CNCCC(c2ccccc2)c2ccccc2)C1=O ZINC000005833645 568825272 /nfs/dbraw/zinc/82/52/72/568825272.db2.gz HYLFGFBSVUBUKQ-SILNSSARSA-N 0 1 405.498 3.559 50 10 HHCAMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S ZINC000000631904 132229415 /nfs/dbraw/zinc/22/94/15/132229415.db2.gz KFXTUMUIMPJGGS-SAPNQHFASA-N 0 1 409.511 3.664 50 10 HHCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000001176800 132240418 /nfs/dbraw/zinc/24/04/18/132240418.db2.gz ONUMTSJPHKBLGU-XYOKQWHBSA-N 0 1 407.314 3.650 50 10 HHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000002959558 132260499 /nfs/dbraw/zinc/26/04/99/132260499.db2.gz OOTTUZPYTKAWOJ-XNTDXEJSSA-N 0 1 400.887 3.878 50 10 HHCAMN COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012553650 132363256 /nfs/dbraw/zinc/36/32/56/132363256.db2.gz OKYYWPSKHJQUFR-INIZCTEOSA-N 0 1 421.463 3.713 50 10 HHCAMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000001124768 535486176 /nfs/dbraw/zinc/48/61/76/535486176.db2.gz MMHCCRPMINXKCZ-SDNWHVSQSA-N 0 1 400.887 3.878 50 10 HHCAMN COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000002369410 536657552 /nfs/dbraw/zinc/65/75/52/536657552.db2.gz FPWBZIDABDJVKR-CPNJWEJPSA-N 0 1 419.462 3.863 50 10 HHCAMN CCc1cccc2c(C=C3C(=O)NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c[nH]c21 ZINC000020232342 558350134 /nfs/dbraw/zinc/35/01/34/558350134.db2.gz LJGCWWQEFRHZFX-MFOYZWKCSA-N 0 1 417.421 3.961 50 10 HHCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000100757859 559264149 /nfs/dbraw/zinc/26/41/49/559264149.db2.gz RNLPABKJBBAOIS-DTQAZKPQSA-N 0 1 412.877 3.765 50 10 HHCAMN CC1=NN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)C1=CNc1ccccc1Cl ZINC000101652312 560798024 /nfs/dbraw/zinc/79/80/24/560798024.db2.gz MWDZHGYIDJLLFC-CSKARUKUSA-N 0 1 421.770 3.515 50 10 HHCAMN Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)o1 ZINC000096114145 568693631 /nfs/dbraw/zinc/69/36/31/568693631.db2.gz XSTKBIUPMZNKJC-GFCCVEGCSA-N 0 1 420.373 3.919 50 10 biogenic HHCAMN COc1cccc(-c2csc(=NC=C3C(=O)OC4(CCCCC4)OC3=O)[nH]2)c1 ZINC000035592639 569045479 /nfs/dbraw/zinc/04/54/79/569045479.db2.gz ANBUIVVLDCNADX-UHFFFAOYSA-N 0 1 400.456 3.875 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)cc1 ZINC000239434056 569054410 /nfs/dbraw/zinc/05/44/10/569054410.db2.gz YXWLUFJYUXOUAJ-RXOYHEDQSA-N 0 1 404.595 3.656 50 10 HHCAMN Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000019796464 571310443 /nfs/dbraw/zinc/31/04/43/571310443.db2.gz CCKFRZWNVCJBAN-UHFFFAOYSA-N 0 1 415.496 3.559 50 10 HHCAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000000712432 132231440 /nfs/dbraw/zinc/23/14/40/132231440.db2.gz DSCNKSWUSWPLMI-XMHGGMMESA-N 0 1 401.491 3.737 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000001065578 132236128 /nfs/dbraw/zinc/23/61/28/132236128.db2.gz NYTBUFPHBYHEEE-WYMLVPIESA-N 0 1 409.417 3.587 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000001185193 132240929 /nfs/dbraw/zinc/24/09/29/132240929.db2.gz CIADUBHGOBZQQW-QGOAFFKASA-N 0 1 407.882 3.962 50 10 HHCAMN COc1cccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc43)C(=O)NC2=S)c1 ZINC000001197562 132241662 /nfs/dbraw/zinc/24/16/62/132241662.db2.gz TYUXPGDGPJRJKB-CPNJWEJPSA-N 0 1 418.474 3.688 50 10 HHCAMN CCc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000004711361 132284805 /nfs/dbraw/zinc/28/48/05/132284805.db2.gz HDDJLFCJWNJUBC-UYRXBGFRSA-N 0 1 403.507 3.880 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000006215575 536597254 /nfs/dbraw/zinc/59/72/54/536597254.db2.gz CDOVPJMXCLCMMR-OQLLNIDSSA-N 0 1 400.887 3.797 50 10 HHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000000686989 557058945 /nfs/dbraw/zinc/05/89/45/557058945.db2.gz ZLIZTGNQLJNTKJ-XSFVSMFZSA-N 0 1 400.434 3.736 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000015685406 558748988 /nfs/dbraw/zinc/74/89/88/558748988.db2.gz WBMZVOFDJSZLTL-DHDCSXOGSA-N 0 1 418.452 3.723 50 10 HHCAMN COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl ZINC000016194062 558777587 /nfs/dbraw/zinc/77/75/87/558777587.db2.gz LKGCZRGNKQYAJG-ATVHPVEESA-N 0 1 422.824 3.848 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000013615657 558847638 /nfs/dbraw/zinc/84/76/38/558847638.db2.gz AHPNYWBZDZTGLB-UYRXBGFRSA-N 0 1 420.396 3.724 50 10 HHCAMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000004783812 559062900 /nfs/dbraw/zinc/06/29/00/559062900.db2.gz QSWIJCLXRZSSKQ-NTEUORMPSA-N 0 1 406.866 3.542 50 10 HHCAMN COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)ccc1O ZINC000012321363 568470910 /nfs/dbraw/zinc/47/09/10/568470910.db2.gz LKELZSHJFWIVCP-INIZCTEOSA-N 0 1 420.465 3.839 50 10 HHCAMN COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc1OC ZINC000012323318 568471352 /nfs/dbraw/zinc/47/13/52/568471352.db2.gz LSKTVLTWTMJZKO-CQSZACIVSA-N 0 1 424.453 3.580 50 10 HHCAMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000027548699 569372426 /nfs/dbraw/zinc/37/24/26/569372426.db2.gz QPSVTHYGMACVFP-LDADJPATSA-N 0 1 422.824 3.848 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000001172517 132240224 /nfs/dbraw/zinc/24/02/24/132240224.db2.gz NNWDVSPZSIACBW-HMMYKYKNSA-N 0 1 417.490 3.707 50 10 HHCAMN CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000004723879 132285954 /nfs/dbraw/zinc/28/59/54/132285954.db2.gz QAWVLDDQVKOCKX-GDNBJRDFSA-N 0 1 400.887 3.742 50 10 HHCAMN COc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)NC1=S ZINC000005527594 132306598 /nfs/dbraw/zinc/30/65/98/132306598.db2.gz XRGODNDSNXTTMM-LUAWRHEFSA-N 0 1 407.278 3.833 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2 ZINC000006898835 132319983 /nfs/dbraw/zinc/31/99/83/132319983.db2.gz MRYOEQUWHASEFP-RGEXLXHISA-N 0 1 403.507 3.628 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000004739009 536659618 /nfs/dbraw/zinc/65/96/18/536659618.db2.gz JHPSYDNFMZZQGR-ZSOIEALJSA-N 0 1 407.278 3.833 50 10 HHCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000013811578 558595694 /nfs/dbraw/zinc/59/56/94/558595694.db2.gz IFCFYMFEOAVGTK-BKUYFWCQSA-N 0 1 415.449 3.666 50 10 HHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C ZINC000015837422 558756199 /nfs/dbraw/zinc/75/61/99/558756199.db2.gz LQTXFBVGLTZZKS-WCSRMQSCSA-N 0 1 408.310 3.780 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1 ZINC000055252958 558877556 /nfs/dbraw/zinc/87/75/56/558877556.db2.gz TVLQVZDFTZUNNU-JOCHJYFZSA-N 0 1 418.541 3.603 50 10 HHCAMN COc1ccc(N2CCN(C[C@@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000023224605 559062500 /nfs/dbraw/zinc/06/25/00/559062500.db2.gz RRGUEBZWXJAPMN-YUVVGHDESA-N 0 1 404.595 3.800 50 10 HHCAMN Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@@H]3C)C(=O)NC2=S)c1 ZINC000098086674 559064967 /nfs/dbraw/zinc/06/49/67/559064967.db2.gz NXRCLTJSJGUOFU-HIXWQLQUSA-N 0 1 409.486 3.607 50 10 HHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000001199429 560727679 /nfs/dbraw/zinc/72/76/79/560727679.db2.gz FIXGSDKZRZXEFM-CPNJWEJPSA-N 0 1 418.424 3.875 50 10 HHCAMN COc1cc(OC)cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 ZINC000012296729 568462449 /nfs/dbraw/zinc/46/24/49/568462449.db2.gz OOSJRPNKUUFLHJ-SFHVURJKSA-N 0 1 420.465 3.752 50 10 biogenic HHCAMN O=C1C[C@@H](c2ccncc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114170 568694018 /nfs/dbraw/zinc/69/40/18/568694018.db2.gz MJTFGJNFTZONSL-AWEZNQCLSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccncc2)CC(=O)O1 ZINC000096114170 568694019 /nfs/dbraw/zinc/69/40/19/568694019.db2.gz MJTFGJNFTZONSL-AWEZNQCLSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN O=C1NC(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)C(=O)N1 ZINC000003195795 568860924 /nfs/dbraw/zinc/86/09/24/568860924.db2.gz IUUQTHQFRZERRH-QFIPXVFZSA-N 0 1 422.440 3.915 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c([N+](=O)[O-])c1 ZINC000084351283 568947114 /nfs/dbraw/zinc/94/71/14/568947114.db2.gz PYQPPBKMSXWEBW-AWEZNQCLSA-N 0 1 406.826 3.939 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c([N+](=O)[O-])c1 ZINC000084351283 568947116 /nfs/dbraw/zinc/94/71/16/568947116.db2.gz PYQPPBKMSXWEBW-AWEZNQCLSA-N 0 1 406.826 3.939 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000084351283 568947118 /nfs/dbraw/zinc/94/71/18/568947118.db2.gz PYQPPBKMSXWEBW-AWEZNQCLSA-N 0 1 406.826 3.939 50 10 HHCAMN O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1 ZINC000008860076 571128349 /nfs/dbraw/zinc/12/83/49/571128349.db2.gz RWSRJUNGNDTLNN-ONPCLQBLSA-N 0 1 420.515 3.776 50 10 HHCAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1 ZINC000008860076 571128352 /nfs/dbraw/zinc/12/83/52/571128352.db2.gz RWSRJUNGNDTLNN-ONPCLQBLSA-N 0 1 420.515 3.776 50 10 HHCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1F ZINC000001171002 960460527 /nfs/dbraw/zinc/46/05/27/960460527.db2.gz RCMHNEJGMGXNBO-VBKFSLOCSA-N 0 1 409.417 3.587 50 10 HHCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000001197286 960460819 /nfs/dbraw/zinc/46/08/19/960460819.db2.gz LMXCVEUXZFKFNC-DEDYPNTBSA-N 0 1 416.433 3.519 50 10 HHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC ZINC000001296103 132243845 /nfs/dbraw/zinc/24/38/45/132243845.db2.gz PEWLIABXGYWUDH-RVDMUPIBSA-N 0 1 412.467 3.692 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002916663 536598262 /nfs/dbraw/zinc/59/82/62/536598262.db2.gz XEWCDKUICJDGJJ-MDWZMJQESA-N 0 1 407.278 3.833 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 ZINC000009260353 536658794 /nfs/dbraw/zinc/65/87/94/536658794.db2.gz YDHQXDMMXCJRHG-PDGQHHTCSA-N 0 1 422.437 3.926 50 10 HHCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 ZINC000008461781 557791784 /nfs/dbraw/zinc/79/17/84/557791784.db2.gz OYJLZPUKDQWXDT-RGEXLXHISA-N 0 1 418.474 3.991 50 10 HHCAMN Cc1ccc(N2NC(=O)/C(=C/c3c(O)ccc4cc([N+](=O)[O-])ccc43)C2=O)cc1C ZINC000023410484 558557354 /nfs/dbraw/zinc/55/73/54/558557354.db2.gz WLDZIRZDQRHVPH-ODLFYWEKSA-N 0 1 403.394 3.532 50 10 HHCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1 ZINC000005098017 559245189 /nfs/dbraw/zinc/24/51/89/559245189.db2.gz NARJOUPPBGGIOT-MRXNPFEDSA-N 0 1 406.324 3.675 50 10 HHCAMN CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([NH+](CC)CC)cc3)C2=O)cc1 ZINC000100792939 559267419 /nfs/dbraw/zinc/26/74/19/559267419.db2.gz INPQROGWNRRFOO-HKWRFOASSA-N 0 1 406.486 3.674 50 10 HHCAMN COc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000012321450 568470895 /nfs/dbraw/zinc/47/08/95/568470895.db2.gz MOLHYWDXAINABY-OAQYLSRUSA-N 0 1 410.514 3.796 50 10 HHCAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000000753537 568471645 /nfs/dbraw/zinc/47/16/45/568471645.db2.gz DDYVTRMVDWMPLT-XDHOZWIPSA-N 0 1 403.394 3.933 50 10 HHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000220957725 568509160 /nfs/dbraw/zinc/50/91/60/568509160.db2.gz MHXRHORNDGONRJ-MKMNVTDBSA-N 0 1 407.278 3.833 50 10 HHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccco1)CC(=O)O2 ZINC000096113815 568693388 /nfs/dbraw/zinc/69/33/88/568693388.db2.gz XCHKXUQHUJHQBK-NSHDSACASA-N 0 1 406.346 3.611 50 10 biogenic HHCAMN Cc1cccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)c1 ZINC000038161350 568974148 /nfs/dbraw/zinc/97/41/48/568974148.db2.gz IHVQZUIHIRKOCA-GDLUXTLDSA-N 0 1 421.526 3.594 50 10 HHCAMN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@H+]3CC[C@H](c4ccccc4)C3)c2oc1=O ZINC000085875419 569009559 /nfs/dbraw/zinc/00/95/59/569009559.db2.gz IUHARTVWJBCXCE-KRWDZBQOSA-N 0 1 407.466 3.512 50 10 biogenic HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCCCOc2ccccc2)c1 ZINC000006194166 569031354 /nfs/dbraw/zinc/03/13/54/569031354.db2.gz DSRQDXUTSCWFBR-NKFKGCMQSA-N 0 1 414.461 3.996 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1 ZINC000019799234 569167911 /nfs/dbraw/zinc/16/79/11/569167911.db2.gz ZREWORXGJRKQHE-ZHZULCJRSA-N 0 1 415.405 3.635 50 10 HHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008914843 571150500 /nfs/dbraw/zinc/15/05/00/571150500.db2.gz QIPQFSMDNVHAIB-YBEGLDIGSA-N 0 1 407.338 3.950 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc12 ZINC000001197508 960461284 /nfs/dbraw/zinc/46/12/84/960461284.db2.gz WKOGODNGFUGKQA-CPNJWEJPSA-N 0 1 402.475 3.988 50 10 HHCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc4c(c3)-c3ccccc3C4)C2=O)cc1 ZINC000016183729 962976004 /nfs/dbraw/zinc/97/60/04/962976004.db2.gz LBLVHKQQHWMCJH-QRVIBDJDSA-N 0 1 424.456 3.928 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000001174568 132240191 /nfs/dbraw/zinc/24/01/91/132240191.db2.gz MUFUCYSKQWITTN-XMHGGMMESA-N 0 1 401.491 3.925 50 10 HHCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000002268619 132250964 /nfs/dbraw/zinc/25/09/64/132250964.db2.gz PIBZMBLAMDPJHS-XDHOZWIPSA-N 0 1 422.510 3.512 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000002916122 132259633 /nfs/dbraw/zinc/25/96/33/132259633.db2.gz DZYNWUJDRIPPDQ-RIYZIHGNSA-N 0 1 421.703 3.934 50 10 HHCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1C ZINC000004649285 132280745 /nfs/dbraw/zinc/28/07/45/132280745.db2.gz VRABVERXOLTNLH-PDGQHHTCSA-N 0 1 403.507 3.935 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12 ZINC000004723785 536598376 /nfs/dbraw/zinc/59/83/76/536598376.db2.gz ZJXRYRZDZDDANS-LDADJPATSA-N 0 1 406.438 3.819 50 10 HHCAMN COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000019720551 558258917 /nfs/dbraw/zinc/25/89/17/558258917.db2.gz ODJCKWJQLUVUCZ-FQEVSTJZSA-N 0 1 415.965 3.841 50 10 HHCAMN COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000019720551 558258918 /nfs/dbraw/zinc/25/89/18/558258918.db2.gz ODJCKWJQLUVUCZ-FQEVSTJZSA-N 0 1 415.965 3.841 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019909305 558306145 /nfs/dbraw/zinc/30/61/45/558306145.db2.gz XBHJRCVZFYGKFD-DEOSSOPVSA-N 0 1 418.537 3.924 50 10 HHCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C ZINC000013496677 558535042 /nfs/dbraw/zinc/53/50/42/558535042.db2.gz TXYAVTAGJAIFOI-UNOMPAQXSA-N 0 1 403.438 3.658 50 10 HHCAMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2c1 ZINC000015228164 558728999 /nfs/dbraw/zinc/72/89/99/558728999.db2.gz DQSZVSBAWIWNHF-CPNJWEJPSA-N 0 1 408.454 3.652 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1 ZINC000055576286 558883077 /nfs/dbraw/zinc/88/30/77/558883077.db2.gz BGTNZAJLMABECY-FQEVSTJZSA-N 0 1 413.587 3.503 50 10 HHCAMN Cc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000100864157 560760916 /nfs/dbraw/zinc/76/09/16/560760916.db2.gz XGHFXIHGGRNLHX-FDIDWWNZSA-N 0 1 408.504 3.528 50 10 HHCAMN Cc1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000100864157 560760918 /nfs/dbraw/zinc/76/09/18/560760918.db2.gz XGHFXIHGGRNLHX-FDIDWWNZSA-N 0 1 408.504 3.528 50 10 HHCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCC(Cl)=N2)cc1 ZINC000005671158 560773038 /nfs/dbraw/zinc/77/30/38/560773038.db2.gz DIPOQRMJQHHHPP-MHWRWJLKSA-N 0 1 401.253 3.564 50 10 HHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccco1)CC(=O)O2 ZINC000096113816 568693367 /nfs/dbraw/zinc/69/33/67/568693367.db2.gz XCHKXUQHUJHQBK-LLVKDONJSA-N 0 1 406.346 3.611 50 10 biogenic HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000096257922 568712933 /nfs/dbraw/zinc/71/29/33/568712933.db2.gz OWFMYLGFBMUNKY-GIDUJCDVSA-N 0 1 407.278 3.833 50 10 HHCAMN O=C1NC(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)C(=O)N1 ZINC000003195798 568861017 /nfs/dbraw/zinc/86/10/17/568861017.db2.gz IUUQTHQFRZERRH-JOCHJYFZSA-N 0 1 422.440 3.915 50 10 HHCAMN COc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)c(=O)[nH]c2c1 ZINC000217879487 568917460 /nfs/dbraw/zinc/91/74/60/568917460.db2.gz YBCWLBLMCRQEIB-UHFFFAOYSA-N 0 1 414.377 3.786 50 10 biogenic HHCAMN COc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 ZINC000015659368 962833634 /nfs/dbraw/zinc/83/36/34/962833634.db2.gz HIDMRGKPCRILQV-ZGCWVLQWSA-N 0 1 409.423 3.831 50 10 HHCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)C(=O)NC2=S)c1 ZINC000001203319 132242167 /nfs/dbraw/zinc/24/21/67/132242167.db2.gz YYJZSYORBOLLSJ-ZHZULCJRSA-N 0 1 423.538 3.763 50 10 HHCAMN Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000001203312 132242170 /nfs/dbraw/zinc/24/21/70/132242170.db2.gz XQWOOZXNZDXKIA-OQLLNIDSSA-N 0 1 401.285 3.589 50 10 HHCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C ZINC000004711416 132284746 /nfs/dbraw/zinc/28/47/46/132284746.db2.gz YUBPPZIHWNLLIA-BOPFTXTBSA-N 0 1 409.898 3.971 50 10 HHCAMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O ZINC000004711354 132284748 /nfs/dbraw/zinc/28/47/48/132284748.db2.gz LEBUKFVUQCYXEN-QGOAFFKASA-N 0 1 405.454 3.756 50 10 HHCAMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc([NH+](CC)CC)cc2)C1=O ZINC000004834450 132289966 /nfs/dbraw/zinc/28/99/66/132289966.db2.gz MYOZOPXTSIPVMP-SDXDJHTJSA-N 0 1 422.485 3.510 50 10 HHCAMN COc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 ZINC000001197694 536657731 /nfs/dbraw/zinc/65/77/31/536657731.db2.gz HIDMRGKPCRILQV-ANSBUGDOSA-N 0 1 409.423 3.831 50 10 HHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000009323843 557837048 /nfs/dbraw/zinc/83/70/48/557837048.db2.gz OMGGGFKKPSAWGL-UDWIEESQSA-N 0 1 420.396 3.660 50 10 HHCAMN CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000011872749 558290708 /nfs/dbraw/zinc/29/07/08/558290708.db2.gz CCIGVKCNZFPMIR-KRWDZBQOSA-N 0 1 405.951 3.763 50 10 HHCAMN COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c1 ZINC000012407764 558398748 /nfs/dbraw/zinc/39/87/48/558398748.db2.gz QKIQPMOFPASYSF-INIZCTEOSA-N 0 1 408.454 3.880 50 10 HHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000013943193 558605269 /nfs/dbraw/zinc/60/52/69/558605269.db2.gz STMXYSIPULROQB-DEDYPNTBSA-N 0 1 418.424 3.875 50 10 HHCAMN COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)c1 ZINC000017146071 558824120 /nfs/dbraw/zinc/82/41/20/558824120.db2.gz BXLJPPCDQQWLSW-UYRXBGFRSA-N 0 1 402.406 3.503 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1 ZINC000055252961 558877516 /nfs/dbraw/zinc/87/75/16/558877516.db2.gz TVLQVZDFTZUNNU-QFIPXVFZSA-N 0 1 418.541 3.603 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1 ZINC000055368904 558880192 /nfs/dbraw/zinc/88/01/92/558880192.db2.gz URHQWFWNDOWJSO-CFGKVWFZSA-N 0 1 411.571 3.583 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1 ZINC000055368902 558880201 /nfs/dbraw/zinc/88/02/01/558880201.db2.gz URHQWFWNDOWJSO-CTDFXDFQSA-N 0 1 411.571 3.583 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000033342637 559064873 /nfs/dbraw/zinc/06/48/73/559064873.db2.gz AHPNYWBZDZTGLB-CPNJWEJPSA-N 0 1 420.396 3.724 50 10 HHCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101148749 560788725 /nfs/dbraw/zinc/78/87/25/560788725.db2.gz FMTLOTLKLXBCHK-NTEUORMPSA-N 0 1 401.766 3.875 50 10 HHCAMN CN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000001202922 568823690 /nfs/dbraw/zinc/82/36/90/568823690.db2.gz PLQGFZBEGDBZGS-LICLKQGHSA-N 0 1 404.382 3.530 50 10 HHCAMN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000001467587 568991849 /nfs/dbraw/zinc/99/18/49/568991849.db2.gz FDILMQCETMKSDQ-UHFFFAOYSA-N 0 1 416.437 3.916 50 10 HHCAMN COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000036384723 569159748 /nfs/dbraw/zinc/15/97/48/569159748.db2.gz XCNGIKAKVHVOMZ-OVCLIPMQSA-N 0 1 402.453 3.710 50 10 HHCAMN O=C1NC(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000009319244 571247857 /nfs/dbraw/zinc/24/78/57/571247857.db2.gz IWPFFZLFKIIMGC-RSZPVBOMSA-N 0 1 400.434 3.634 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000002216859 960470327 /nfs/dbraw/zinc/47/03/27/960470327.db2.gz CLUITWRKEJTPHP-RGEXLXHISA-N 0 1 408.527 3.585 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C\c3cn(CC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000002195689 960470805 /nfs/dbraw/zinc/47/08/05/960470805.db2.gz IAIGXHSPRIPTCO-UYRXBGFRSA-N 0 1 419.506 3.891 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000001203275 132242185 /nfs/dbraw/zinc/24/21/85/132242185.db2.gz ZAYQGYOQVUVQFZ-RIYZIHGNSA-N 0 1 421.703 3.934 50 10 HHCAMN C[C@H](NC=C1C(=O)NC(=S)N(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000002372555 132253484 /nfs/dbraw/zinc/25/34/84/132253484.db2.gz XVUWYJJVLUXNSU-NOMGLIDZSA-N 0 1 401.491 3.822 50 10 HHCAMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 ZINC000004676277 132282297 /nfs/dbraw/zinc/28/22/97/132282297.db2.gz QRZJNWPEOSNYQI-CPNJWEJPSA-N 0 1 417.490 3.631 50 10 HHCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000006418018 132310853 /nfs/dbraw/zinc/31/08/53/132310853.db2.gz LCUMLJSQONOUBY-QGOAFFKASA-N 0 1 412.877 3.765 50 10 HHCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000005941004 536655503 /nfs/dbraw/zinc/65/55/03/536655503.db2.gz TYLAJBPDXWUYAF-OQLLNIDSSA-N 0 1 422.293 3.746 50 10 HHCAMN COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000019720550 558258984 /nfs/dbraw/zinc/25/89/84/558258984.db2.gz ODJCKWJQLUVUCZ-HXUWFJFHSA-N 0 1 415.965 3.841 50 10 HHCAMN COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000019720550 558258987 /nfs/dbraw/zinc/25/89/87/558258987.db2.gz ODJCKWJQLUVUCZ-HXUWFJFHSA-N 0 1 415.965 3.841 50 10 HHCAMN Cc1ccc(C2=NN[C@@]3(S2)c2ccccc2N(CCN2CCCCC2)C3=O)cc1 ZINC000001442299 558430602 /nfs/dbraw/zinc/43/06/02/558430602.db2.gz RDDXSWFPWFHBKE-HSZRJFAPSA-N 0 1 406.555 3.679 50 10 HHCAMN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000013898609 558601040 /nfs/dbraw/zinc/60/10/40/558601040.db2.gz NCGDYMXELPWCLV-DHDCSXOGSA-N 0 1 402.453 3.710 50 10 HHCAMN COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1O ZINC000015010750 558700139 /nfs/dbraw/zinc/70/01/39/558700139.db2.gz JFUMSUAYXIWNSS-YBEGLDIGSA-N 0 1 416.480 3.753 50 10 HHCAMN COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000015013464 558701269 /nfs/dbraw/zinc/70/12/69/558701269.db2.gz AQRKYPPGOMXWDX-GDNBJRDFSA-N 0 1 400.887 3.797 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1 ZINC000055576285 558883143 /nfs/dbraw/zinc/88/31/43/558883143.db2.gz BGTNZAJLMABECY-HXUWFJFHSA-N 0 1 413.587 3.503 50 10 HHCAMN CC(=O)Nc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000100507477 559135968 /nfs/dbraw/zinc/13/59/68/559135968.db2.gz IJCRHGQDHWZYTJ-GZTJUZNOSA-N 0 1 407.430 3.889 50 10 HHCAMN Cn1nccc1-c1c2oc3c(ccc(O)c3O)c2nc2c1c(=O)[nH]n2C1CCCC1 ZINC000095480789 559163490 /nfs/dbraw/zinc/16/34/90/559163490.db2.gz KHLFZYIKNFLFCI-UHFFFAOYSA-N 0 1 405.414 3.963 50 10 HHCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000103682388 560843882 /nfs/dbraw/zinc/84/38/82/560843882.db2.gz CCKOFBYXPRVBJB-LCYFTJDESA-N 0 1 422.293 3.746 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000015659366 560855747 /nfs/dbraw/zinc/85/57/47/560855747.db2.gz FNGRSUDVGCYULC-UYRXBGFRSA-N 0 1 418.474 3.688 50 10 HHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1)CCC3 ZINC000012296334 568462567 /nfs/dbraw/zinc/46/25/67/568462567.db2.gz BGDZFIMTHYEKTL-SFHVURJKSA-N 0 1 403.482 3.800 50 10 biogenic HHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCCC3 ZINC000012297043 568462963 /nfs/dbraw/zinc/46/29/63/568462963.db2.gz JCHCHMVVCHQLIH-INIZCTEOSA-N 0 1 418.449 3.853 50 10 biogenic HHCAMN Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1 ZINC000001085788 568768092 /nfs/dbraw/zinc/76/80/92/568768092.db2.gz KVEHADLCINFIAP-UHFFFAOYSA-N 0 1 417.508 3.643 50 10 HHCAMN CCCCn1c([O-])c(C2=NN[C@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S ZINC000015834768 569012876 /nfs/dbraw/zinc/01/28/76/569012876.db2.gz QALQFNXBXUQAFB-INIZCTEOSA-N 0 1 415.563 3.696 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccccc2)cc1 ZINC000006194116 569031294 /nfs/dbraw/zinc/03/12/94/569031294.db2.gz YGSOKJAQCRTUKG-NKFKGCMQSA-N 0 1 414.461 3.996 50 10 HHCAMN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(O)ccc2ccccc21 ZINC000013008200 569049862 /nfs/dbraw/zinc/04/98/62/569049862.db2.gz VKJDVHHYOYJLHW-INIZCTEOSA-N 0 1 403.482 3.741 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 ZINC000526052531 569239812 /nfs/dbraw/zinc/23/98/12/569239812.db2.gz MJNBWCXFQYNSNU-FPRSRYDQSA-N 0 1 406.526 3.894 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 ZINC000526052531 569239813 /nfs/dbraw/zinc/23/98/13/569239813.db2.gz MJNBWCXFQYNSNU-FPRSRYDQSA-N 0 1 406.526 3.894 50 10 HHCAMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S ZINC000004689806 132283646 /nfs/dbraw/zinc/28/36/46/132283646.db2.gz DDOYMGHNMOMNDY-YRNVUSSQSA-N 0 1 407.278 3.839 50 10 HHCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C ZINC000004711333 132284822 /nfs/dbraw/zinc/28/48/22/132284822.db2.gz APDQPQODWOJTSG-BOPFTXTBSA-N 0 1 409.898 3.971 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 ZINC000004819387 132289371 /nfs/dbraw/zinc/28/93/71/132289371.db2.gz MCOWCEBRLRRKGR-ZHZULCJRSA-N 0 1 417.534 3.525 50 10 HHCAMN CCOc1ccc(NC=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000005924698 132308480 /nfs/dbraw/zinc/30/84/80/132308480.db2.gz QRZATWCUDFXIDI-RGEXLXHISA-N 0 1 417.490 3.982 50 10 HHCAMN CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([NH+](CC)CC)cc3)C2=O)cc1 ZINC000009089735 536184257 /nfs/dbraw/zinc/18/42/57/536184257.db2.gz INPQROGWNRRFOO-HMMYKYKNSA-N 0 1 406.486 3.674 50 10 HHCAMN COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001197262 536604507 /nfs/dbraw/zinc/60/45/07/536604507.db2.gz QWZHHNVRSANILJ-OQLLNIDSSA-N 0 1 400.843 3.798 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)Cc3cccc4ccccc43)CC2)cc1 ZINC000011853449 536696452 /nfs/dbraw/zinc/69/64/52/536696452.db2.gz GZMFXJMMDVHWSC-UHFFFAOYSA-N 0 1 417.553 3.719 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOc2ccccc2)cc1 ZINC000004501958 557560380 /nfs/dbraw/zinc/56/03/80/557560380.db2.gz UBJSTPBOBJGDCT-XLNRJJMWSA-N 0 1 400.434 3.606 50 10 HHCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000019925550 558307843 /nfs/dbraw/zinc/30/78/43/558307843.db2.gz VKGNBENPIWSSNL-MTJSOVHGSA-N 0 1 405.429 3.993 50 10 HHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 ZINC000013477228 558534190 /nfs/dbraw/zinc/53/41/90/558534190.db2.gz QSWTXTKXZXIVEJ-AQTBWJFISA-N 0 1 414.303 3.757 50 10 HHCAMN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000013477240 558534243 /nfs/dbraw/zinc/53/42/43/558534243.db2.gz BEGFRCPLVIVCPH-BOPFTXTBSA-N 0 1 409.239 3.769 50 10 HHCAMN CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000013562081 558540546 /nfs/dbraw/zinc/54/05/46/558540546.db2.gz HKOSWRKZHFMOBJ-VBKFSLOCSA-N 0 1 401.260 3.699 50 10 HHCAMN CCc1cc2c(ncnc2NCCCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000024059495 558587119 /nfs/dbraw/zinc/58/71/19/558587119.db2.gz FMMFOBOVUBCHIB-UHFFFAOYSA-N 0 1 411.575 3.887 50 10 HHCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000004456444 558590131 /nfs/dbraw/zinc/59/01/31/558590131.db2.gz LKGYPZUZOPLRRE-ZROIWOOFSA-N 0 1 405.237 3.664 50 10 HHCAMN CN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br ZINC000016667707 558798522 /nfs/dbraw/zinc/79/85/22/558798522.db2.gz YPXGYMPRVZXXRU-ZSOIEALJSA-N 0 1 420.694 3.630 50 10 HHCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100148683 559130681 /nfs/dbraw/zinc/13/06/81/559130681.db2.gz DZVXVGAGDNGLGG-SXGWCWSVSA-N 0 1 401.766 3.875 50 10 HHCAMN COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)ccc1O ZINC000012321364 568470920 /nfs/dbraw/zinc/47/09/20/568470920.db2.gz LKELZSHJFWIVCP-MRXNPFEDSA-N 0 1 420.465 3.839 50 10 HHCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000001215708 568834457 /nfs/dbraw/zinc/83/44/57/568834457.db2.gz CMPOQGKJUKZWNN-UHFFFAOYSA-N 0 1 416.433 3.567 50 10 HHCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc(OC)c1OC ZINC000217837854 568915526 /nfs/dbraw/zinc/91/55/26/568915526.db2.gz SFXRLYQCUSHDEN-UHFFFAOYSA-N 0 1 407.382 3.961 50 10 biogenic HHCAMN CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)cc2)C1=O ZINC000016671933 569070114 /nfs/dbraw/zinc/07/01/14/569070114.db2.gz PBJICJAEBJVOFX-WJDWOHSUSA-N 0 1 401.260 3.618 50 10 HHCAMN CN(C)[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCN2C ZINC000008798819 571120385 /nfs/dbraw/zinc/12/03/85/571120385.db2.gz QREBSSMBZCFVPL-XMMPIXPASA-N 0 1 423.582 3.803 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1C ZINC000001101056 132237068 /nfs/dbraw/zinc/23/70/68/132237068.db2.gz XJFAKWYRUCVVOZ-DEDYPNTBSA-N 0 1 417.490 3.631 50 10 HHCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1 ZINC000001150243 132239216 /nfs/dbraw/zinc/23/92/16/132239216.db2.gz PKEHHNPEQQJNFW-MDWZMJQESA-N 0 1 421.341 3.959 50 10 HHCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 ZINC000001172447 132240255 /nfs/dbraw/zinc/24/02/55/132240255.db2.gz IBENHPMZQPYSNX-XSFVSMFZSA-N 0 1 401.491 3.925 50 10 HHCAMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1C ZINC000002982113 132261277 /nfs/dbraw/zinc/26/12/77/132261277.db2.gz NLQRQGQUCNJDCR-XMHGGMMESA-N 0 1 401.491 3.925 50 10 HHCAMN Cc1cccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)c1 ZINC000006898273 132319997 /nfs/dbraw/zinc/31/99/97/132319997.db2.gz IHVQZUIHIRKOCA-YWXUCKCNSA-N 0 1 421.526 3.594 50 10 HHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(OC)cc4)c(C)oc32)CC1 ZINC000020589172 521686799 /nfs/dbraw/zinc/68/67/99/521686799.db2.gz PERLXHIBXAQANZ-UHFFFAOYSA-N 0 1 424.497 3.745 50 10 HHCAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1OC(C)C ZINC000000660531 537078245 /nfs/dbraw/zinc/07/82/45/537078245.db2.gz YAURVHOLBKCTLV-FOWTUZBSSA-N 0 1 410.495 3.622 50 10 HHCAMN Cc1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008738514 557803226 /nfs/dbraw/zinc/80/32/26/557803226.db2.gz MBFWLLMQLRTWSM-XSFVSMFZSA-N 0 1 419.437 3.971 50 10 HHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 ZINC000004330767 558262557 /nfs/dbraw/zinc/26/25/57/558262557.db2.gz FOCLPFOHGJQIJT-QFIPXVFZSA-N 0 1 422.573 3.570 50 10 HHCAMN COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c1 ZINC000012407765 558398764 /nfs/dbraw/zinc/39/87/64/558398764.db2.gz QKIQPMOFPASYSF-MRXNPFEDSA-N 0 1 408.454 3.880 50 10 HHCAMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000005098982 559244631 /nfs/dbraw/zinc/24/46/31/559244631.db2.gz YNTNKDDCLNXLLH-FQEVSTJZSA-N 0 1 407.967 3.521 50 10 HHCAMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000022107455 568475418 /nfs/dbraw/zinc/47/54/18/568475418.db2.gz IOVUQDFJPNAKCV-UYRXBGFRSA-N 0 1 402.475 3.988 50 10 HHCAMN COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 ZINC000012391620 568696061 /nfs/dbraw/zinc/69/60/61/568696061.db2.gz ZYDZPUNOLVTHBD-KRWDZBQOSA-N 0 1 420.465 3.752 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000096234379 568708465 /nfs/dbraw/zinc/70/84/65/568708465.db2.gz FNLSSUZGJKCDAC-VZUCSPMQSA-N 0 1 421.261 3.553 50 10 HHCAMN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)c(OC)c1OC ZINC000217840146 568915514 /nfs/dbraw/zinc/91/55/14/568915514.db2.gz IJYZGTGTKHJWDP-UHFFFAOYSA-N 0 1 407.382 3.961 50 10 biogenic HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000001197658 960460865 /nfs/dbraw/zinc/46/08/65/960460865.db2.gz HMMOSTBUAOZXLO-AQTBWJFISA-N 0 1 411.914 3.772 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000005060922 960644454 /nfs/dbraw/zinc/64/44/54/960644454.db2.gz JHPSYDNFMZZQGR-RIYZIHGNSA-N 0 1 407.278 3.833 50 10 HHCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12 ZINC000022107445 963592625 /nfs/dbraw/zinc/59/26/25/963592625.db2.gz LSCIVGJMWOROAU-UNOMPAQXSA-N 0 1 404.397 3.650 50 10 HHCAMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)C(=O)NC2=S)c1 ZINC000001204526 132242334 /nfs/dbraw/zinc/24/23/34/132242334.db2.gz JDXHIHZSQYWTJI-UDWIEESQSA-N 0 1 424.522 3.951 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 ZINC000004675552 132282071 /nfs/dbraw/zinc/28/20/71/132282071.db2.gz MPYBJIRAOVTSPB-HKWRFOASSA-N 0 1 421.522 3.517 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1 ZINC000020536305 524431383 /nfs/dbraw/zinc/43/13/83/524431383.db2.gz CREACZBXUYCVSN-HXUWFJFHSA-N 0 1 401.501 3.760 50 10 HHCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000003004694 536655841 /nfs/dbraw/zinc/65/58/41/536655841.db2.gz HWGKVDUGOZJKGQ-FMIVXFBMSA-N 0 1 422.293 3.746 50 10 HHCAMN COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c1 ZINC000000666636 557045894 /nfs/dbraw/zinc/04/58/94/557045894.db2.gz SBBLBDRUBMCTHP-PDGQHHTCSA-N 0 1 422.824 3.848 50 10 HHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 ZINC000020109650 558334672 /nfs/dbraw/zinc/33/46/72/558334672.db2.gz TWTHONKUBNGVOX-OAQYLSRUSA-N 0 1 412.574 3.863 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)cc1 ZINC000020109686 558334689 /nfs/dbraw/zinc/33/46/89/558334689.db2.gz YXWLUFJYUXOUAJ-NAMDQGSHSA-N 0 1 404.595 3.656 50 10 HHCAMN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1 ZINC000033071586 558866493 /nfs/dbraw/zinc/86/64/93/558866493.db2.gz LVMPHWWQHQERDS-MRXNPFEDSA-N 0 1 411.937 3.815 50 10 HHCAMN COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc1OC ZINC000012323317 568471357 /nfs/dbraw/zinc/47/13/57/568471357.db2.gz LSKTVLTWTMJZKO-AWEZNQCLSA-N 0 1 424.453 3.580 50 10 HHCAMN O=C1C[C@@H](c2cccnc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115527 568695223 /nfs/dbraw/zinc/69/52/23/568695223.db2.gz RSRRQFZGHNPIHP-AWEZNQCLSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2cccnc2)CC(=O)O1 ZINC000096115527 568695227 /nfs/dbraw/zinc/69/52/27/568695227.db2.gz RSRRQFZGHNPIHP-AWEZNQCLSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1 ZINC000012391583 568696014 /nfs/dbraw/zinc/69/60/14/568696014.db2.gz ZPRJAQRYFSCXQQ-QGZVFWFLSA-N 0 1 420.465 3.752 50 10 HHCAMN Cc1ccc(OCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000006030170 568835840 /nfs/dbraw/zinc/83/58/40/568835840.db2.gz RWRIIZZYPRXGBX-OQKWZONESA-N 0 1 414.461 3.914 50 10 HHCAMN O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1 ZINC000001452093 568986611 /nfs/dbraw/zinc/98/66/11/568986611.db2.gz RWSRJUNGNDTLNN-HMPUBDHJSA-N 0 1 420.515 3.776 50 10 HHCAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1 ZINC000001452093 568986612 /nfs/dbraw/zinc/98/66/12/568986612.db2.gz RWSRJUNGNDTLNN-HMPUBDHJSA-N 0 1 420.515 3.776 50 10 HHCAMN O=C(Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1)c1ccccc1F ZINC000001117758 569277367 /nfs/dbraw/zinc/27/73/67/569277367.db2.gz RPMCDCTUWVDNJG-XMHGGMMESA-N 0 1 402.381 3.506 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccccc1 ZINC000002304635 569372330 /nfs/dbraw/zinc/37/23/30/569372330.db2.gz RAIVONBTQIWTTG-HEHNFIMWSA-N 0 1 400.434 3.606 50 10 HHCAMN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1C ZINC000008856589 571127958 /nfs/dbraw/zinc/12/79/58/571127958.db2.gz JJWKGJOLEOHRIA-UHFFFAOYSA-N 0 1 416.437 3.836 50 10 HHCAMN Cc1ccc(-c2nc(NC=C3C(=O)NC(=O)NC3=O)sc2-c2ccc(C)cc2)cc1 ZINC000009439557 571259014 /nfs/dbraw/zinc/25/90/14/571259014.db2.gz PSWLKSREBBAACS-UHFFFAOYSA-N 0 1 418.478 3.756 50 10 HHCAMN COc1ccccc1N1C(=O)/C(=C\c2ccc3c4c(cccc42)CC3)C(=O)NC1=S ZINC000004873004 960621977 /nfs/dbraw/zinc/62/19/77/960621977.db2.gz MJCYPFHCYCQBTG-AQTBWJFISA-N 0 1 414.486 3.778 50 10 HHCAMN CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000000693716 132231042 /nfs/dbraw/zinc/23/10/42/132231042.db2.gz UWENTBPAFKZNLC-XDJHFCHBSA-N 0 1 401.491 3.871 50 10 HHCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000001161594 132239736 /nfs/dbraw/zinc/23/97/36/132239736.db2.gz JLNPOBNXLAERPD-XYOKQWHBSA-N 0 1 421.341 3.959 50 10 HHCAMN CCc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000004468379 132277300 /nfs/dbraw/zinc/27/73/00/132277300.db2.gz BSXMPOHGOBOKCK-HKWRFOASSA-N 0 1 401.491 3.871 50 10 HHCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)c1 ZINC000005113007 132301774 /nfs/dbraw/zinc/30/17/74/132301774.db2.gz HIDPTYBHDIXUSI-DHDCSXOGSA-N 0 1 416.886 3.579 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000009933803 132344211 /nfs/dbraw/zinc/34/42/11/132344211.db2.gz LTRFGZQWOWMKDH-ZROIWOOFSA-N 0 1 421.703 3.934 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccccc1F ZINC000015822387 132462815 /nfs/dbraw/zinc/46/28/15/132462815.db2.gz NYTBUFPHBYHEEE-OWBHPGMISA-N 0 1 409.417 3.587 50 10 HHCAMN COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000032099592 522083440 /nfs/dbraw/zinc/08/34/40/522083440.db2.gz QYJQOSRXTTXDPF-LDADJPATSA-N 0 1 422.824 3.848 50 10 HHCAMN O=C1NC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000001890312 557294322 /nfs/dbraw/zinc/29/43/22/557294322.db2.gz GCSTYFJRMBIMSU-UHFFFAOYSA-N 0 1 403.803 3.989 50 10 HHCAMN CCOc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004289697 557536378 /nfs/dbraw/zinc/53/63/78/557536378.db2.gz AMCIQYRFIPRTKL-UHFFFAOYSA-N 0 1 407.447 3.662 50 10 HHCAMN Cc1ccc(C2=NN[C@]3(S2)c2ccccc2N(CCN2CCCCC2)C3=O)cc1 ZINC000001442300 558430730 /nfs/dbraw/zinc/43/07/30/558430730.db2.gz RDDXSWFPWFHBKE-QHCPKHFHSA-N 0 1 406.555 3.679 50 10 HHCAMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375069 558554631 /nfs/dbraw/zinc/55/46/31/558554631.db2.gz XQYGSPWTMYUSTE-NRFANRHFSA-N 0 1 403.929 3.971 50 10 HHCAMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375069 558554633 /nfs/dbraw/zinc/55/46/33/558554633.db2.gz XQYGSPWTMYUSTE-NRFANRHFSA-N 0 1 403.929 3.971 50 10 HHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c(OC(C)C)c1 ZINC000013810336 558595386 /nfs/dbraw/zinc/59/53/86/558595386.db2.gz HRSRYYMXJYDIGY-MOSHPQCFSA-N 0 1 411.477 3.921 50 10 HHCAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000016676215 560861189 /nfs/dbraw/zinc/86/11/89/560861189.db2.gz FPGVXAWMOKQCQH-NTEUORMPSA-N 0 1 420.321 3.891 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2nc(Cl)ncc2F)cc1 ZINC000108893130 568420092 /nfs/dbraw/zinc/42/00/92/568420092.db2.gz YQWOSCWTZHEBGP-GDNBJRDFSA-N 0 1 410.792 3.523 50 10 HHCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000000631714 568456470 /nfs/dbraw/zinc/45/64/70/568456470.db2.gz ULLCRNJKBINZHJ-CIAFOILYSA-N 0 1 405.429 3.993 50 10 HHCAMN O=C1C[C@H](c2ccncc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114171 568693856 /nfs/dbraw/zinc/69/38/56/568693856.db2.gz MJTFGJNFTZONSL-CQSZACIVSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccncc2)CC(=O)O1 ZINC000096114171 568693860 /nfs/dbraw/zinc/69/38/60/568693860.db2.gz MJTFGJNFTZONSL-CQSZACIVSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022589351 568771196 /nfs/dbraw/zinc/77/11/96/568771196.db2.gz OQSNVTNKJIGDTJ-VWLOTQADSA-N 0 1 416.569 3.624 50 10 HHCAMN COc1ccc(C[N@H+]2CCN(Cc3cc(Cl)ccc3O)C[C@H]2CCO)c(C)c1C ZINC000104397547 569008494 /nfs/dbraw/zinc/00/84/94/569008494.db2.gz VIDLJIMXMQTBGE-OAQYLSRUSA-N 0 1 418.965 3.740 50 10 HHCAMN CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S ZINC000015834765 569012895 /nfs/dbraw/zinc/01/28/95/569012895.db2.gz QALQFNXBXUQAFB-MRXNPFEDSA-N 0 1 415.563 3.696 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)cc1 ZINC000239434055 569054405 /nfs/dbraw/zinc/05/44/05/569054405.db2.gz YXWLUFJYUXOUAJ-NZRJUOQRSA-N 0 1 404.595 3.656 50 10 HHCAMN COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000001843195 569056497 /nfs/dbraw/zinc/05/64/97/569056497.db2.gz WRQBEFIJZLEUBS-UDWIEESQSA-N 0 1 419.437 3.562 50 10 HHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1 ZINC000000706673 132231266 /nfs/dbraw/zinc/23/12/66/132231266.db2.gz PATKLQVDJAVBIY-LDADJPATSA-N 0 1 410.495 3.624 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000004489084 132277731 /nfs/dbraw/zinc/27/77/31/132277731.db2.gz ANAYICVKHQSWEE-CSKARUKUSA-N 0 1 410.257 3.876 50 10 HHCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O ZINC000004672981 132281917 /nfs/dbraw/zinc/28/19/17/132281917.db2.gz RKNAMSLPQDLZES-UKTHLTGXSA-N 0 1 416.886 3.584 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005024988 132298697 /nfs/dbraw/zinc/29/86/97/132298697.db2.gz IMYLVOGPZOVIEX-XMHGGMMESA-N 0 1 408.527 3.585 50 10 HHCAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000009111594 132335992 /nfs/dbraw/zinc/33/59/92/132335992.db2.gz MEZRQZVJBJMURX-FOWTUZBSSA-N 0 1 405.479 3.501 50 10 HHCAMN CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21 ZINC000009464046 535275805 /nfs/dbraw/zinc/27/58/05/535275805.db2.gz VBLWDHJOGDCMRC-SAPNQHFASA-N 0 1 423.513 3.820 50 10 HHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000000706674 535681803 /nfs/dbraw/zinc/68/18/03/535681803.db2.gz JHUMIMKREBETEA-QGOAFFKASA-N 0 1 423.538 3.681 50 10 HHCAMN O=C1NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1 ZINC000002900087 557424587 /nfs/dbraw/zinc/42/45/87/557424587.db2.gz CROCWZZEDGMAJB-UHFFFAOYSA-N 0 1 414.248 3.746 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1 ZINC000020118051 558336668 /nfs/dbraw/zinc/33/66/68/558336668.db2.gz FXRTXSDYSHZCAI-GOSISDBHSA-N 0 1 419.491 3.899 50 10 HHCAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)n1 ZINC000004384948 558482471 /nfs/dbraw/zinc/48/24/71/558482471.db2.gz NDKRBNJJCCADRG-UHFFFAOYSA-N 0 1 418.906 3.865 50 10 HHCAMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000016671137 558798692 /nfs/dbraw/zinc/79/86/92/558798692.db2.gz TZMUBDKRIJHQCF-ZROIWOOFSA-N 0 1 420.694 3.630 50 10 HHCAMN COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000016878796 558808766 /nfs/dbraw/zinc/80/87/66/558808766.db2.gz LCVUETIYGBXKJD-UHFFFAOYSA-N 0 1 420.509 3.801 50 10 HHCAMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000016878796 558808767 /nfs/dbraw/zinc/80/87/67/558808767.db2.gz LCVUETIYGBXKJD-UHFFFAOYSA-N 0 1 420.509 3.801 50 10 HHCAMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000005098981 559244647 /nfs/dbraw/zinc/24/46/47/559244647.db2.gz YNTNKDDCLNXLLH-HXUWFJFHSA-N 0 1 407.967 3.521 50 10 HHCAMN COc1ccc(-c2c3c(=O)[nH]nc-3[nH]c3c2C(=O)c2ccccc2-3)c(OC)c1OC ZINC000018196166 560782436 /nfs/dbraw/zinc/78/24/36/560782436.db2.gz HGVOMDCOCFIXLE-UHFFFAOYSA-N 0 1 403.394 3.568 50 10 HHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000103682397 560843840 /nfs/dbraw/zinc/84/38/40/560843840.db2.gz ANAYICVKHQSWEE-NTMALXAHSA-N 0 1 410.257 3.876 50 10 HHCAMN COc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000012321449 568470963 /nfs/dbraw/zinc/47/09/63/568470963.db2.gz MOLHYWDXAINABY-NRFANRHFSA-N 0 1 410.514 3.796 50 10 HHCAMN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1 ZINC000020114412 568589422 /nfs/dbraw/zinc/58/94/22/568589422.db2.gz JUQCGDYDGXMIAV-IZZDOVSWSA-N 0 1 416.525 3.956 50 10 HHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc32)CC1 ZINC000020358296 568600512 /nfs/dbraw/zinc/60/05/12/568600512.db2.gz FCBOIKIULWHHQU-UHFFFAOYSA-N 0 1 408.498 3.620 50 10 biogenic HHCAMN O=C1C[C@H](c2cccnc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115528 568695312 /nfs/dbraw/zinc/69/53/12/568695312.db2.gz RSRRQFZGHNPIHP-CQSZACIVSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2cccnc2)CC(=O)O1 ZINC000096115528 568695316 /nfs/dbraw/zinc/69/53/16/568695316.db2.gz RSRRQFZGHNPIHP-CQSZACIVSA-N 0 1 401.374 3.707 50 10 biogenic HHCAMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000005795123 568734303 /nfs/dbraw/zinc/73/43/03/568734303.db2.gz FUPXTPFHCRWIDW-DEDYPNTBSA-N 0 1 416.433 3.811 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)CCc3ccccc3Cl)CC2)cc1 ZINC000028064971 568779076 /nfs/dbraw/zinc/77/90/76/568779076.db2.gz ZHFDZZOVNNNHKD-UHFFFAOYSA-N 0 1 415.965 3.610 50 10 HHCAMN COc1ccc(N2CCN(C(=O)CN[C@@H](c3cccs3)c3ccccc3)CC2)cc1 ZINC000057435071 568836663 /nfs/dbraw/zinc/83/66/63/568836663.db2.gz HZJCRNNVIDYIIT-XMMPIXPASA-N 0 1 421.566 3.785 50 10 HHCAMN Cc1ccc(OCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1 ZINC000001883117 569148337 /nfs/dbraw/zinc/14/83/37/569148337.db2.gz XSXRGZVWSBGSKK-HAVVHWLPSA-N 0 1 414.461 3.914 50 10 HHCAMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000000664808 132230304 /nfs/dbraw/zinc/23/03/04/132230304.db2.gz AQRKYPPGOMXWDX-XNTDXEJSSA-N 0 1 400.887 3.797 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1C ZINC000002979492 132261074 /nfs/dbraw/zinc/26/10/74/132261074.db2.gz DWRYXTPNFHYRID-XSFVSMFZSA-N 0 1 401.491 3.925 50 10 HHCAMN Cc1cccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)NC2=S)c1 ZINC000006898276 132319980 /nfs/dbraw/zinc/31/99/80/132319980.db2.gz IHVQZUIHIRKOCA-ZSFFSCSXSA-N 0 1 421.526 3.594 50 10 HHCAMN COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001197359 536603752 /nfs/dbraw/zinc/60/37/52/536603752.db2.gz JKOQNVKQQYYFCB-XNTDXEJSSA-N 0 1 400.843 3.798 50 10 HHCAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCCc2ccccc2)cc1 ZINC000000823630 557092841 /nfs/dbraw/zinc/09/28/41/557092841.db2.gz DBIVKUUMGGMKMM-JOCHJYFZSA-N 0 1 407.514 3.947 50 10 HHCAMN COc1ccc2ccc(O)c(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c2c1 ZINC000022794531 558512241 /nfs/dbraw/zinc/51/22/41/558512241.db2.gz XJPIULJIHGZPAP-UHFFFAOYSA-N 0 1 419.525 3.619 50 10 HHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C ZINC000013551147 558539123 /nfs/dbraw/zinc/53/91/23/558539123.db2.gz DNGXZUNKRHKDHZ-WQLSENKSSA-N 0 1 408.310 3.780 50 10 HHCAMN Cc1cccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000016349486 558787553 /nfs/dbraw/zinc/78/75/53/558787553.db2.gz DSAIFPOMWKECSG-BOPFTXTBSA-N 0 1 422.828 3.809 50 10 HHCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1 ZINC000016398894 558789731 /nfs/dbraw/zinc/78/97/31/558789731.db2.gz DIPOQRMJQHHHPP-YBEGLDIGSA-N 0 1 401.253 3.564 50 10 HHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1)CCC3 ZINC000012296335 568462574 /nfs/dbraw/zinc/46/25/74/568462574.db2.gz BGDZFIMTHYEKTL-GOSISDBHSA-N 0 1 403.482 3.800 50 10 biogenic HHCAMN C[C@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC(C)(C)C ZINC000095997160 568679082 /nfs/dbraw/zinc/67/90/82/568679082.db2.gz FPPNYYWMQFXSOG-QMMMGPOBSA-N 0 1 409.118 3.737 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c([N+](=O)[O-])c1 ZINC000084351276 568947057 /nfs/dbraw/zinc/94/70/57/568947057.db2.gz PYQPPBKMSXWEBW-CQSZACIVSA-N 0 1 406.826 3.939 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c([N+](=O)[O-])c1 ZINC000084351276 568947059 /nfs/dbraw/zinc/94/70/59/568947059.db2.gz PYQPPBKMSXWEBW-CQSZACIVSA-N 0 1 406.826 3.939 50 10 HHCAMN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000084351276 568947061 /nfs/dbraw/zinc/94/70/61/568947061.db2.gz PYQPPBKMSXWEBW-CQSZACIVSA-N 0 1 406.826 3.939 50 10 HHCAMN CCCOc1ccccc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O ZINC000002058440 569072478 /nfs/dbraw/zinc/07/24/78/569072478.db2.gz WDTHFHASNKRDQW-WJDWOHSUSA-N 0 1 401.260 3.699 50 10 HHCAMN CC[NH+](CC)CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000027534289 571049533 /nfs/dbraw/zinc/04/95/33/571049533.db2.gz JLQVACKTEKKRME-XLNRJJMWSA-N 0 1 420.513 3.904 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002221379 960470381 /nfs/dbraw/zinc/47/03/81/960470381.db2.gz IMYLVOGPZOVIEX-RGEXLXHISA-N 0 1 408.527 3.585 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001186562 132241207 /nfs/dbraw/zinc/24/12/07/132241207.db2.gz LTZBEQQSTLXAJH-FOWTUZBSSA-N 0 1 415.902 3.755 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000009851258 132343686 /nfs/dbraw/zinc/34/36/86/132343686.db2.gz HJZUYCAGNUBLDN-LDADJPATSA-N 0 1 423.881 3.668 50 10 HHCAMN Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)NC2=S)c1 ZINC000009908224 132344086 /nfs/dbraw/zinc/34/40/86/132344086.db2.gz URFMZXWGESLYRZ-AUWJEWJLSA-N 0 1 421.341 3.959 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000032764121 524422637 /nfs/dbraw/zinc/42/26/37/524422637.db2.gz WQFXTBVVARORAJ-UHFFFAOYSA-N 0 1 417.553 3.719 50 10 HHCAMN COc1ccc(N2CCN(CCCNc3ncnc4cc(Cl)ccc43)CC2)cc1 ZINC000032808481 524424682 /nfs/dbraw/zinc/42/46/82/524424682.db2.gz UHFJQGBASCUHPE-UHFFFAOYSA-N 0 1 411.937 3.916 50 10 HHCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000013482393 558534440 /nfs/dbraw/zinc/53/44/40/558534440.db2.gz NRXNPZVFDIWANY-NDENLUEZSA-N 0 1 403.438 3.658 50 10 HHCAMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cccc1OC ZINC000004783832 559062890 /nfs/dbraw/zinc/06/28/90/559062890.db2.gz VJHYYRKZXMLMIX-DLRWLJPMSA-N 0 1 400.475 3.667 50 10 HHCAMN COc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)C(=O)NC1=S ZINC000005559137 560614985 /nfs/dbraw/zinc/61/49/85/560614985.db2.gz XRGODNDSNXTTMM-PKNBQFBNSA-N 0 1 407.278 3.833 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCCOc1ccccc1 ZINC000002180335 568932588 /nfs/dbraw/zinc/93/25/88/568932588.db2.gz YWTDYTPMDQNKAV-RELWKKBWSA-N 0 1 414.461 3.996 50 10 HHCAMN Cc1ccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)cc1 ZINC000038176683 568975038 /nfs/dbraw/zinc/97/50/38/568975038.db2.gz LYPRZQFFNFKLBW-YWXUCKCNSA-N 0 1 421.526 3.594 50 10 HHCAMN Cc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000001447171 568985555 /nfs/dbraw/zinc/98/55/55/568985555.db2.gz XGHFXIHGGRNLHX-FEEIMYBTSA-N 0 1 408.504 3.528 50 10 HHCAMN Cc1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000001447171 568985556 /nfs/dbraw/zinc/98/55/56/568985556.db2.gz XGHFXIHGGRNLHX-FEEIMYBTSA-N 0 1 408.504 3.528 50 10 HHCAMN O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc[nH]c3=O)c12 ZINC000085879943 569009825 /nfs/dbraw/zinc/00/98/25/569009825.db2.gz XZMHJIZJEQHMIU-UHFFFAOYSA-N 0 1 418.409 3.506 50 10 biogenic HHCAMN Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@H+](C)C[C@@H]1CCCN2CCCC[C@H]12)CCC3 ZINC000524729992 569051662 /nfs/dbraw/zinc/05/16/62/569051662.db2.gz QKDKWEFQOMEWTO-LAUBAEHRSA-N 0 1 410.558 3.992 50 10 HHCAMN Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12)CCC3 ZINC000524729992 569051663 /nfs/dbraw/zinc/05/16/63/569051663.db2.gz QKDKWEFQOMEWTO-LAUBAEHRSA-N 0 1 410.558 3.992 50 10 HHCAMN CC(C)(C)N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000002281592 569364097 /nfs/dbraw/zinc/36/40/97/569364097.db2.gz ZXNDXWDHJISWPK-CPNJWEJPSA-N 0 1 401.466 3.950 50 10 HHCAMN CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)ccc21 ZINC000002366383 569388118 /nfs/dbraw/zinc/38/81/18/569388118.db2.gz BAANTKIROMCJGC-HMMYKYKNSA-N 0 1 403.482 3.716 50 10 HHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)CC1 ZINC000041515054 571265386 /nfs/dbraw/zinc/26/53/86/571265386.db2.gz KYRKOIZEMGLJEE-UHFFFAOYSA-N 0 1 421.522 3.913 50 10 HHCAMN Cc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000021548842 963488745 /nfs/dbraw/zinc/48/87/45/963488745.db2.gz XGHFXIHGGRNLHX-KTZOAPACSA-N 0 1 408.504 3.528 50 10 HHCAMN Cc1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000021548842 963488754 /nfs/dbraw/zinc/48/87/54/963488754.db2.gz XGHFXIHGGRNLHX-KTZOAPACSA-N 0 1 408.504 3.528 50 10 HHCAMN COc1ccc(CCN2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1OC ZINC000034234576 966414090 /nfs/dbraw/zinc/41/40/90/966414090.db2.gz BFFORCWBAAHMPL-ATVHPVEESA-N 0 1 419.437 3.730 50 10 HHCAMN CC(=O)C(=C(C)O)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1O ZINC000101404568 969195836 /nfs/dbraw/zinc/19/58/36/969195836.db2.gz FDJHCKIJCLVOEQ-UHFFFAOYSA-N 0 1 411.479 3.916 50 10 HHCAMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)NC2=S)c1 ZINC000002919914 132259579 /nfs/dbraw/zinc/25/95/79/132259579.db2.gz YYJZSYORBOLLSJ-XSFVSMFZSA-N 0 1 423.538 3.763 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000002916142 132259618 /nfs/dbraw/zinc/25/96/18/132259618.db2.gz XNJJXBAEYXKBFC-NTEUORMPSA-N 0 1 421.703 3.934 50 10 HHCAMN CCOc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000004472028 132277429 /nfs/dbraw/zinc/27/74/29/132277429.db2.gz XWCURWNWCHODKM-UYRXBGFRSA-N 0 1 419.506 3.717 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c(C)c1 ZINC000004547168 132278361 /nfs/dbraw/zinc/27/83/61/132278361.db2.gz RJHANYYDWUIERL-CPNJWEJPSA-N 0 1 417.490 3.631 50 10 HHCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000004819632 132289351 /nfs/dbraw/zinc/28/93/51/132289351.db2.gz RNLPABKJBBAOIS-SSZFMOIBSA-N 0 1 412.877 3.765 50 10 HHCAMN O=C1NC(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C(=O)N1 ZINC000001048278 557157913 /nfs/dbraw/zinc/15/79/13/557157913.db2.gz AUNPYRGRIVNTEK-UHFFFAOYSA-N 0 1 418.249 3.734 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012512911 558424375 /nfs/dbraw/zinc/42/43/75/558424375.db2.gz SHMZNOXQGMYZKM-WJDWOHSUSA-N 0 1 408.801 3.500 50 10 HHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C ZINC000004491443 558609556 /nfs/dbraw/zinc/60/95/56/558609556.db2.gz DDYVTRMVDWMPLT-UNOMPAQXSA-N 0 1 403.394 3.933 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C)c4)C3=O)o2)cc1 ZINC000016265601 558781944 /nfs/dbraw/zinc/78/19/44/558781944.db2.gz BLTVBJUYSIUMRC-ZHZULCJRSA-N 0 1 416.433 3.893 50 10 HHCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)o1 ZINC000016266786 558782253 /nfs/dbraw/zinc/78/22/53/558782253.db2.gz BYELBXGMVBRIKL-PDGQHHTCSA-N 0 1 419.393 3.633 50 10 HHCAMN CN(C)c1ccc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000033071208 558866554 /nfs/dbraw/zinc/86/65/54/558866554.db2.gz AAAADVYFXUUVEO-UHFFFAOYSA-N 0 1 411.937 3.815 50 10 HHCAMN COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1OC ZINC000077387093 559003365 /nfs/dbraw/zinc/00/33/65/559003365.db2.gz WSPKAVWMKGNYJO-OAHLLOKOSA-N 0 1 418.921 3.705 50 10 HHCAMN COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1OC ZINC000077387093 559003366 /nfs/dbraw/zinc/00/33/66/559003366.db2.gz WSPKAVWMKGNYJO-OAHLLOKOSA-N 0 1 418.921 3.705 50 10 HHCAMN CSc1ccc2c(c1)[C@H](N1CCN(CCCO)CC1)Cc1ccc(O)cc1S2 ZINC000022590948 559014966 /nfs/dbraw/zinc/01/49/66/559014966.db2.gz HLZPAJSIDRQQSZ-HXUWFJFHSA-N 0 1 416.612 3.863 50 10 HHCAMN COc1ccc(O)c(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c1 ZINC000299787459 568875649 /nfs/dbraw/zinc/87/56/49/568875649.db2.gz XDAGDQBBEAUVQD-UXHICEINSA-N 0 1 418.534 3.800 50 10 HHCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 ZINC000016212328 962984060 /nfs/dbraw/zinc/98/40/60/962984060.db2.gz FJNRIQROBQXVSX-PXNMLYILSA-N 0 1 424.254 3.592 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001092435 132236823 /nfs/dbraw/zinc/23/68/23/132236823.db2.gz FKRWZUSLCQXBSZ-FOWTUZBSSA-N 0 1 415.902 3.755 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537041658 /nfs/dbraw/zinc/04/16/58/537041658.db2.gz IOVUQDFJPNAKCV-CPNJWEJPSA-N 0 1 402.475 3.988 50 10 HHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019909303 558306061 /nfs/dbraw/zinc/30/60/61/558306061.db2.gz XBHJRCVZFYGKFD-XMMPIXPASA-N 0 1 418.537 3.924 50 10 HHCAMN CCOC(=O)C1CC[NH+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000016662810 558798350 /nfs/dbraw/zinc/79/83/50/558798350.db2.gz XGCHAFPKDCHPPK-UHFFFAOYSA-N 0 1 421.129 3.692 50 10 HHCAMN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1 ZINC000033071588 558866593 /nfs/dbraw/zinc/86/65/93/558866593.db2.gz LVMPHWWQHQERDS-INIZCTEOSA-N 0 1 411.937 3.815 50 10 HHCAMN CCCCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000004808271 559068566 /nfs/dbraw/zinc/06/85/66/559068566.db2.gz OURAMNSXBKSAGB-ZHZULCJRSA-N 0 1 401.466 3.952 50 10 HHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1C ZINC000004837043 559166258 /nfs/dbraw/zinc/16/62/58/559166258.db2.gz ZJEXVMOQINXUOF-JAIQZWGSSA-N 0 1 414.417 3.695 50 10 HHCAMN O=C1NC(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N1 ZINC000001176336 560727554 /nfs/dbraw/zinc/72/75/54/560727554.db2.gz KNTKDCHNNZXWCF-UHFFFAOYSA-N 0 1 406.825 3.822 50 10 HHCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000102540591 560814342 /nfs/dbraw/zinc/81/43/42/560814342.db2.gz PIBZMBLAMDPJHS-UNOMPAQXSA-N 0 1 422.510 3.923 50 10 HHCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000083293434 568912782 /nfs/dbraw/zinc/91/27/82/568912782.db2.gz ZTBJFFTVDGMVLV-XSFVSMFZSA-N 0 1 405.454 3.798 50 10 HHCAMN COc1ccc(-c2csc(=NC=C3C(=O)OC4(CCCCC4)OC3=O)[nH]2)cc1 ZINC000035592641 569045453 /nfs/dbraw/zinc/04/54/53/569045453.db2.gz BXDMTEUQJFNZLZ-UHFFFAOYSA-N 0 1 400.456 3.875 50 10 HHCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)C(=O)NC2=S)c1 ZINC000006573626 569066684 /nfs/dbraw/zinc/06/66/84/569066684.db2.gz JDXHIHZSQYWTJI-NDENLUEZSA-N 0 1 424.522 3.951 50 10 HHCAMN COc1ccc(OCc2ccc(F)cc2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000027572712 569374726 /nfs/dbraw/zinc/37/47/26/569374726.db2.gz OTVXIDNBUPUWOB-KGENOOAVSA-N 0 1 418.424 3.875 50 10 HHCAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCN2C ZINC000008798820 571120530 /nfs/dbraw/zinc/12/05/30/571120530.db2.gz QREBSSMBZCFVPL-DEOSSOPVSA-N 0 1 423.582 3.803 50 10 HHCAMN COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1 ZINC000014977313 962617727 /nfs/dbraw/zinc/61/77/27/962617727.db2.gz PBOAHENZCSLJNE-KRWDZBQOSA-N 0 1 402.502 3.680 50 10 HHCAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000001186691 132241271 /nfs/dbraw/zinc/24/12/71/132241271.db2.gz UTULGLYISPUBJS-JLHYYAGUSA-N 0 1 420.321 3.891 50 10 HHCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(F)cc2)C(=O)NC1=S ZINC000001203544 132242173 /nfs/dbraw/zinc/24/21/73/132242173.db2.gz GBJGJANJUQTIGA-NTEUORMPSA-N 0 1 419.275 3.728 50 10 HHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000001307578 132243904 /nfs/dbraw/zinc/24/39/04/132243904.db2.gz QHTIKMZZHKZZAD-RVDMUPIBSA-N 0 1 412.467 3.692 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000005979310 132308916 /nfs/dbraw/zinc/30/89/16/132308916.db2.gz CLUITWRKEJTPHP-XMHGGMMESA-N 0 1 408.527 3.585 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000000715029 536597797 /nfs/dbraw/zinc/59/77/97/536597797.db2.gz FJGNPJBCLLIIOC-SFQUDFHCSA-N 0 1 418.474 3.688 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)c3csc4c3CCCC4)CC2)cc1 ZINC000006803888 536697206 /nfs/dbraw/zinc/69/72/06/536697206.db2.gz XLOZDHKYNFHRAM-UHFFFAOYSA-N 0 1 413.587 3.578 50 10 HHCAMN Cc1cc2c(n1-c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)CC(C)(C)CC2=O ZINC000002561817 557356617 /nfs/dbraw/zinc/35/66/17/557356617.db2.gz GGLUXGJEGBAVLA-UHFFFAOYSA-N 0 1 424.526 3.840 50 10 HHCAMN [O-]c1ccc(-c2ncccn2)cc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020779742 558412447 /nfs/dbraw/zinc/41/24/47/558412447.db2.gz DUOROWWKHFUCFJ-UHFFFAOYSA-N 0 1 404.558 3.792 50 10 HHCAMN COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906795 558420978 /nfs/dbraw/zinc/42/09/78/558420978.db2.gz TUYCMZGYPAETAZ-XMMPIXPASA-N 0 1 407.558 3.684 50 10 HHCAMN CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1O ZINC000015011043 558700300 /nfs/dbraw/zinc/70/03/00/558700300.db2.gz UWHRIEUPYVQVCJ-AUWJEWJLSA-N 0 1 406.441 3.694 50 10 HHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1 ZINC000055568662 558882721 /nfs/dbraw/zinc/88/27/21/558882721.db2.gz KRJFBFCJZLWECQ-IBGZPJMESA-N 0 1 413.949 3.775 50 10 HHCAMN CCOc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O ZINC000059475177 558936815 /nfs/dbraw/zinc/93/68/15/558936815.db2.gz SNBWDCOJMFZURA-GZTJUZNOSA-N 0 1 415.287 3.926 50 10 HHCAMN COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1OC ZINC000077387088 559003352 /nfs/dbraw/zinc/00/33/52/559003352.db2.gz WSPKAVWMKGNYJO-HNNXBMFYSA-N 0 1 418.921 3.705 50 10 HHCAMN COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1OC ZINC000077387088 559003354 /nfs/dbraw/zinc/00/33/54/559003354.db2.gz WSPKAVWMKGNYJO-HNNXBMFYSA-N 0 1 418.921 3.705 50 10 HHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccccc2)cc1 ZINC000002180331 560585090 /nfs/dbraw/zinc/58/50/90/560585090.db2.gz YGSOKJAQCRTUKG-PTGBLXJZSA-N 0 1 414.461 3.996 50 10 HHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000018173615 560781243 /nfs/dbraw/zinc/78/12/43/560781243.db2.gz SNENMTYTJZGXLC-QGOAFFKASA-N 0 1 402.475 3.988 50 10 HHCAMN Cn1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cn1 ZINC000095477914 568631205 /nfs/dbraw/zinc/63/12/05/568631205.db2.gz NUKFSTHFLJUQPV-UHFFFAOYSA-N 0 1 405.414 3.963 50 10 HHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1OC ZINC000012390496 568694987 /nfs/dbraw/zinc/69/49/87/568694987.db2.gz USXPAYCQVJBPTA-CQSZACIVSA-N 0 1 424.453 3.580 50 10 HHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000001129945 568773161 /nfs/dbraw/zinc/77/31/61/568773161.db2.gz GLPNZKZLLHFHIQ-QGOAFFKASA-N 0 1 411.889 3.848 50 10 HHCAMN O=c1c(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc2cccc3c2n1CC3 ZINC000218260651 568837166 /nfs/dbraw/zinc/83/71/66/568837166.db2.gz XOGNRLFKQJVGRW-UHFFFAOYSA-N 0 1 410.389 3.807 50 10 HHCAMN COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CSc3ccccc3-4)CC2)cc1 ZINC000015675240 568963286 /nfs/dbraw/zinc/96/32/86/568963286.db2.gz HMXFQQVJJNCOEW-UHFFFAOYSA-N 0 1 406.511 3.653 50 10 HHCAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(O)ccc2ccccc21 ZINC000013008198 569049829 /nfs/dbraw/zinc/04/98/29/569049829.db2.gz VKJDVHHYOYJLHW-MRXNPFEDSA-N 0 1 403.482 3.741 50 10 HHCAMN O=C(Oc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1)c1ccc(F)cc1 ZINC000001118465 960458607 /nfs/dbraw/zinc/45/86/07/960458607.db2.gz WQYNCZPJHZSILZ-XSFVSMFZSA-N 0 1 402.381 3.506 50 10 HHCAMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(C)C ZINC000015836950 962882705 /nfs/dbraw/zinc/88/27/05/962882705.db2.gz QBIWOWIRQPIPBT-BOPFTXTBSA-N 0 1 400.475 3.525 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000653704 132230122 /nfs/dbraw/zinc/23/01/22/132230122.db2.gz CXPAHVAZQAEBIG-VZUCSPMQSA-N 0 1 421.261 3.553 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000001126622 132238189 /nfs/dbraw/zinc/23/81/89/132238189.db2.gz PGOSKHUBXMDGGJ-SFQUDFHCSA-N 0 1 409.486 3.566 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 ZINC000020347317 524426641 /nfs/dbraw/zinc/42/66/41/524426641.db2.gz QOILUQJKOKOYES-IBGZPJMESA-N 0 1 404.938 3.527 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000002830496 536597206 /nfs/dbraw/zinc/59/72/06/536597206.db2.gz FCLIIVIIRRMRCR-GXDHUFHOSA-N 0 1 400.887 3.797 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000004624715 536697249 /nfs/dbraw/zinc/69/72/49/536697249.db2.gz JWMOGTMPHZXKTP-UHFFFAOYSA-N 0 1 418.994 3.847 50 10 HHCAMN CC1(C)OC(=O)C(=CN=c2[nH]c(-c3cccc(Br)c3)cs2)C(=O)O1 ZINC000002543485 557722698 /nfs/dbraw/zinc/72/26/98/557722698.db2.gz XSAMKZFPLITDQM-UHFFFAOYSA-N 0 1 409.261 3.705 50 10 HHCAMN CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000011872751 558290649 /nfs/dbraw/zinc/29/06/49/558290649.db2.gz CCIGVKCNZFPMIR-QGZVFWFLSA-N 0 1 405.951 3.763 50 10 HHCAMN CCn1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C ZINC000033334274 559063225 /nfs/dbraw/zinc/06/32/25/559063225.db2.gz ARQQKLFZIKSCCX-YBEGLDIGSA-N 0 1 413.499 3.814 50 10 HHCAMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)N=c1[nH]cccc1C ZINC000100423625 559135127 /nfs/dbraw/zinc/13/51/27/559135127.db2.gz SCDWYIRDQWLCRY-AQTBWJFISA-N 0 1 421.482 3.652 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1O ZINC000033937818 560545055 /nfs/dbraw/zinc/54/50/55/560545055.db2.gz ARFAMIINIAMWIC-JYRVWZFOSA-N 0 1 403.257 3.826 50 10 HHCAMN Cc1cc(Br)c(O)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000095365177 568602070 /nfs/dbraw/zinc/60/20/70/568602070.db2.gz QRNQSMUQFAFVDH-UHFFFAOYSA-N 0 1 421.360 3.946 50 10 HHCAMN COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 ZINC000012391621 568696147 /nfs/dbraw/zinc/69/61/47/568696147.db2.gz ZYDZPUNOLVTHBD-QGZVFWFLSA-N 0 1 420.465 3.752 50 10 HHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccccc3-c3ccccc3)CC2)cc1 ZINC000012420119 568719578 /nfs/dbraw/zinc/71/95/78/568719578.db2.gz JGPIZCYHSHUITB-QHCPKHFHSA-N 0 1 418.537 3.924 50 10 HHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001197386 568823019 /nfs/dbraw/zinc/82/30/19/568823019.db2.gz VZZRGJYMJURBGG-XDHOZWIPSA-N 0 1 404.397 3.650 50 10 HHCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000001406456 568928175 /nfs/dbraw/zinc/92/81/75/568928175.db2.gz NIZOMGSJBXIJAN-OQLLNIDSSA-N 0 1 407.228 3.837 50 10 HHCAMN COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O ZINC000001425108 568938953 /nfs/dbraw/zinc/93/89/53/568938953.db2.gz DKLZENJDUNHSOY-MHWRWJLKSA-N 0 1 401.260 3.536 50 10 HHCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)ccc1O ZINC000085875107 569009450 /nfs/dbraw/zinc/00/94/50/569009450.db2.gz YJVXMICMSUQCMW-UHFFFAOYSA-N 0 1 421.409 3.997 50 10 biogenic HHCAMN Cc1cc(Br)c(O)c([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000001756431 569052042 /nfs/dbraw/zinc/05/20/42/569052042.db2.gz NXDQHZDLIIEYSV-RDJZCZTQSA-N 0 1 401.260 3.633 50 10 biogenic HHCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000002289805 569365125 /nfs/dbraw/zinc/36/51/25/569365125.db2.gz CCAKQCFQNBTLBJ-MHWRWJLKSA-N 0 1 421.384 3.596 50 10 HHCAMN CCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000002369364 569388596 /nfs/dbraw/zinc/38/85/96/569388596.db2.gz ICMRSNCIBHSTHS-DEDYPNTBSA-N 0 1 417.465 3.926 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000002214224 960470482 /nfs/dbraw/zinc/47/04/82/960470482.db2.gz JPOFMLYYAYBIJD-JXAWBTAJSA-N 0 1 408.527 3.585 50 10 HHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000005024724 132298682 /nfs/dbraw/zinc/29/86/82/132298682.db2.gz JPOFMLYYAYBIJD-NBVRZTHBSA-N 0 1 408.527 3.585 50 10 HHCAMN CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O ZINC000009012026 132334946 /nfs/dbraw/zinc/33/49/46/132334946.db2.gz WSIMACRLKNRRHT-LTGZKZEYSA-N 0 1 417.509 3.901 50 10 HHCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000009015847 132335030 /nfs/dbraw/zinc/33/50/30/132335030.db2.gz JDJIYHXJQCUAEM-PGMHBOJBSA-N 0 1 419.525 3.738 50 10 HHCAMN COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012553653 132363264 /nfs/dbraw/zinc/36/32/64/132363264.db2.gz OKYYWPSKHJQUFR-MRXNPFEDSA-N 0 1 421.463 3.713 50 10 HHCAMN CCCN1CCCc2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)ccc21 ZINC000005643222 534914095 /nfs/dbraw/zinc/91/40/95/534914095.db2.gz PVKGUFFFSWQHAZ-HMMYKYKNSA-N 0 1 403.482 3.511 50 10 HHCAMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000000686753 535963946 /nfs/dbraw/zinc/96/39/46/535963946.db2.gz CWCZHZOOHUUBNO-CXUHLZMHSA-N 0 1 401.919 3.918 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000004675368 536658815 /nfs/dbraw/zinc/65/88/15/536658815.db2.gz SWNOZLPYJPUIRE-HKWRFOASSA-N 0 1 421.522 3.517 50 10 HHCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000009919418 536697228 /nfs/dbraw/zinc/69/72/28/536697228.db2.gz OAFAYZBWDLCKGC-UHFFFAOYSA-N 0 1 403.526 3.791 50 10 HHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 ZINC000004330774 558262600 /nfs/dbraw/zinc/26/26/00/558262600.db2.gz FOCLPFOHGJQIJT-JOCHJYFZSA-N 0 1 422.573 3.570 50 10 HHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000019814095 558287180 /nfs/dbraw/zinc/28/71/80/558287180.db2.gz KAXGSYSNMANGGZ-QSJINSDNSA-N 0 1 413.296 3.837 50 10 HHCAMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([NH+](CC)CC)cc3)C2=O)cc1 ZINC000013718518 558580639 /nfs/dbraw/zinc/58/06/39/558580639.db2.gz YRBNOMARKSIGQD-HKWRFOASSA-N 0 1 422.485 3.510 50 10 HHCAMN CCN(CC)[C@@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1 ZINC000024975918 558623626 /nfs/dbraw/zinc/62/36/26/558623626.db2.gz LDRBQCPCZKSVOJ-IBGZPJMESA-N 0 1 412.559 3.972 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000015010280 558699954 /nfs/dbraw/zinc/69/99/54/558699954.db2.gz BPCXNICOOWQJGC-FMIVXFBMSA-N 0 1 407.278 3.833 50 10 HHCAMN Oc1ccc(Br)cc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019358967 558876052 /nfs/dbraw/zinc/87/60/52/558876052.db2.gz WYIWAOUWVGWMTF-UHFFFAOYSA-N 0 1 400.320 3.954 50 10 HHCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000004682194 558895084 /nfs/dbraw/zinc/89/50/84/558895084.db2.gz JGEGELJKOFHYOF-OVCLIPMQSA-N 0 1 416.275 3.725 50 10 HHCAMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cccc1OC ZINC000004783830 559062887 /nfs/dbraw/zinc/06/28/87/559062887.db2.gz VJHYYRKZXMLMIX-INQVIGDZSA-N 0 1 400.475 3.667 50 10 HHCAMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)N=c1cccc(C)[nH]1 ZINC000100423387 559135111 /nfs/dbraw/zinc/13/51/11/559135111.db2.gz PTCVEYKLGXMYCD-UYRXBGFRSA-N 0 1 421.482 3.652 50 10 HHCAMN CC(C)Oc1ccccc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O ZINC000005381422 560577583 /nfs/dbraw/zinc/57/75/83/560577583.db2.gz GAMNHAZTEFCMOC-YBEGLDIGSA-N 0 1 401.260 3.698 50 10 HHCAMN COc1cc(OC)cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 ZINC000012296730 568462421 /nfs/dbraw/zinc/46/24/21/568462421.db2.gz OOSJRPNKUUFLHJ-GOSISDBHSA-N 0 1 420.465 3.752 50 10 biogenic HHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC ZINC000012296803 568462465 /nfs/dbraw/zinc/46/24/65/568462465.db2.gz NHDFXFXYSOHDOB-INIZCTEOSA-N 0 1 420.465 3.752 50 10 biogenic HHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 ZINC000020347315 568599432 /nfs/dbraw/zinc/59/94/32/568599432.db2.gz QOILUQJKOKOYES-LJQANCHMSA-N 0 1 404.938 3.527 50 10 HHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc32)CC1 ZINC000020605115 568636271 /nfs/dbraw/zinc/63/62/71/568636271.db2.gz SDDZKBFECNYQTH-UHFFFAOYSA-N 0 1 408.498 3.620 50 10 HHCAMN COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000015011891 568737492 /nfs/dbraw/zinc/73/74/92/568737492.db2.gz WBMZVOFDJSZLTL-OQLLNIDSSA-N 0 1 418.452 3.723 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c2o1 ZINC000526052540 569239758 /nfs/dbraw/zinc/23/97/58/569239758.db2.gz MJNBWCXFQYNSNU-YWQGAKJTSA-N 0 1 406.526 3.894 50 10 HHCAMN O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c2o1 ZINC000526052540 569239759 /nfs/dbraw/zinc/23/97/59/569239759.db2.gz MJNBWCXFQYNSNU-YWQGAKJTSA-N 0 1 406.526 3.894 50 10 HHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000013452500 569255674 /nfs/dbraw/zinc/25/56/74/569255674.db2.gz LRIVHBGJSNUONR-RGEXLXHISA-N 0 1 402.406 3.585 50 10 HHCAMN COc1cccc(-n2c(C)cc(C(=O)NCc3n[nH]c(-c4ccccc4)n3)c2C)c1 ZINC000069454813 571228176 /nfs/dbraw/zinc/22/81/76/571228176.db2.gz GYTLIUIXEZWZFL-UHFFFAOYSA-N 0 1 401.470 3.818 50 10 HHCAMN COc1cccc(-n2c(C)cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)c2C)c1 ZINC000069454813 571228177 /nfs/dbraw/zinc/22/81/77/571228177.db2.gz GYTLIUIXEZWZFL-UHFFFAOYSA-N 0 1 401.470 3.818 50 10 HHCAMN CCCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000002966134 960477110 /nfs/dbraw/zinc/47/71/10/960477110.db2.gz XEYNDNPTQYTYLZ-QGOAFFKASA-N 0 1 408.454 3.536 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c(C)c1 ZINC000000664705 132230280 /nfs/dbraw/zinc/23/02/80/132230280.db2.gz PUSRREHSLFSXRR-XYOKQWHBSA-N 0 1 421.341 3.959 50 10 HHCAMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000000693786 132231022 /nfs/dbraw/zinc/23/10/22/132231022.db2.gz BSXMPOHGOBOKCK-HMMYKYKNSA-N 0 1 401.491 3.871 50 10 HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000000708686 132231310 /nfs/dbraw/zinc/23/13/10/132231310.db2.gz RLUTXHNLZIYJRF-LDADJPATSA-N 0 1 411.914 3.772 50 10 HHCAMN CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000004739024 132286395 /nfs/dbraw/zinc/28/63/95/132286395.db2.gz UWENTBPAFKZNLC-CYVLTUHYSA-N 0 1 401.491 3.871 50 10 HHCAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)C(=O)NC2=S)c(C)c1 ZINC000009262623 132337754 /nfs/dbraw/zinc/33/77/54/132337754.db2.gz PUSRREHSLFSXRR-WQLSENKSSA-N 0 1 421.341 3.959 50 10 HHCAMN Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000012363098 132359022 /nfs/dbraw/zinc/35/90/22/132359022.db2.gz ONUMTSJPHKBLGU-WQLSENKSSA-N 0 1 407.314 3.650 50 10 HHCAMN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCN(C)CC4)cc3)on2)cc1 ZINC000012401869 132359405 /nfs/dbraw/zinc/35/94/05/132359405.db2.gz JIDSIXVZLZNGJO-QGZVFWFLSA-N 0 1 420.513 3.593 50 10 HHCAMN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(O)c(Cl)c1 ZINC000054017794 526682976 /nfs/dbraw/zinc/68/29/76/526682976.db2.gz MRQCVUWDHVCPGI-UHFFFAOYSA-N 0 1 414.811 3.831 50 10 HHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc12 ZINC000004723772 536597308 /nfs/dbraw/zinc/59/73/08/536597308.db2.gz LACOPTRJIKKMTL-WOJGMQOQSA-N 0 1 406.438 3.819 50 10 HHCAMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OCC ZINC000004783823 559062874 /nfs/dbraw/zinc/06/28/74/559062874.db2.gz KNGUGYWWGBPZEC-XNTDXEJSSA-N 0 1 420.893 3.932 50 10 HHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000005073422 559241724 /nfs/dbraw/zinc/24/17/24/559241724.db2.gz LPWGQEHMEASIDD-UNOMPAQXSA-N 0 1 403.394 3.933 50 10 HHCAMN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c1 ZINC000000666626 568460648 /nfs/dbraw/zinc/46/06/48/568460648.db2.gz DERQLWVPWRZIBV-DEDYPNTBSA-N 0 1 416.433 3.811 50 10 HHCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000005867637 568826991 /nfs/dbraw/zinc/82/69/91/568826991.db2.gz QJHJQITXWLIQFE-XSFVSMFZSA-N 0 1 417.465 3.510 50 10 HHCAMN Cc1cc(Br)c(O)c([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000001756437 568829432 /nfs/dbraw/zinc/82/94/32/568829432.db2.gz NXDQHZDLIIEYSV-NVXWUHKLSA-N 0 1 401.260 3.633 50 10 biogenic HHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001777796 568834224 /nfs/dbraw/zinc/83/42/24/568834224.db2.gz QIPQFSMDNVHAIB-MHWRWJLKSA-N 0 1 407.338 3.950 50 10 HHCAMN COc1cc(OC)c(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1OC ZINC000217772915 568911327 /nfs/dbraw/zinc/91/13/27/568911327.db2.gz BRCKWRIYYMELSK-UHFFFAOYSA-N 0 1 407.382 3.961 50 10 biogenic HHCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000006974288 569193000 /nfs/dbraw/zinc/19/30/00/569193000.db2.gz VHJABYDVKVNFNH-POHAHGRESA-N 0 1 421.261 3.553 50 10 HHCAMN Cc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000005785739 960779625 /nfs/dbraw/zinc/77/96/25/960779625.db2.gz XGHFXIHGGRNLHX-PCJMVEANSA-N 0 1 408.504 3.528 50 10 HHCAMN Cc1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000005785739 960779636 /nfs/dbraw/zinc/77/96/36/960779636.db2.gz XGHFXIHGGRNLHX-PCJMVEANSA-N 0 1 408.504 3.528 50 10 HHCAMN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)NC2=S)c1 ZINC000001197565 132241667 /nfs/dbraw/zinc/24/16/67/132241667.db2.gz FWMVBCQSJNHFCU-XDHOZWIPSA-N 0 1 418.474 3.688 50 10 HHCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O ZINC000002075723 132248790 /nfs/dbraw/zinc/24/87/90/132248790.db2.gz CKOCMBIKZFNGHT-IZZDOVSWSA-N 0 1 423.277 3.539 50 10 HHCAMN Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000004362577 132275878 /nfs/dbraw/zinc/27/58/78/132275878.db2.gz AIFGROIUPQSDRB-UHFFFAOYSA-N 0 1 423.948 3.516 50 10 HHCAMN CCCN1CCN(c2cc(NCCOC)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006738016 534931977 /nfs/dbraw/zinc/93/19/77/534931977.db2.gz GXEWFQXBERSLBF-UHFFFAOYSA-N 0 1 420.513 3.630 50 10 HHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 ZINC000000706488 557063980 /nfs/dbraw/zinc/06/39/80/557063980.db2.gz NYFQDEIZRGROGV-QFIPXVFZSA-N 0 1 423.513 3.913 50 10 HHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCCc2ccccc2)cc1 ZINC000000823629 557092909 /nfs/dbraw/zinc/09/29/09/557092909.db2.gz DBIVKUUMGGMKMM-QFIPXVFZSA-N 0 1 407.514 3.947 50 10 HHCAMN CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccc(Cl)cc3[nH]1)OCO2 ZINC000008566201 557795265 /nfs/dbraw/zinc/79/52/65/557795265.db2.gz FFBFMKJDYXEJLT-UHFFFAOYSA-N 0 1 403.847 3.878 50 10 HHCAMN CCN(CC)[C@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1 ZINC000024975924 558623597 /nfs/dbraw/zinc/62/35/97/558623597.db2.gz LDRBQCPCZKSVOJ-LJQANCHMSA-N 0 1 412.559 3.972 50 10 HHCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC ZINC000015822074 558754668 /nfs/dbraw/zinc/75/46/68/558754668.db2.gz FGDQZTGBGRDDSD-YBEGLDIGSA-N 0 1 400.862 3.907 50 10 HHCAMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000017300004 558826763 /nfs/dbraw/zinc/82/67/63/558826763.db2.gz GDBYXPBOLOCNIK-KGENOOAVSA-N 0 1 421.497 3.897 50 10 HHCAMN Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@H]3C)C(=O)NC2=S)c1 ZINC000098086675 559064993 /nfs/dbraw/zinc/06/49/93/559064993.db2.gz NXRCLTJSJGUOFU-IIMQCXAKSA-N 0 1 409.486 3.607 50 10 HHCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccccc3C)c3ccccc23)C1=O ZINC000005867648 568827015 /nfs/dbraw/zinc/82/70/15/568827015.db2.gz FHNJAICZQPJWLO-XMHGGMMESA-N 0 1 417.465 3.510 50 10 HHCAMN Cc1cc(Br)c(O)c([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000001756433 569052072 /nfs/dbraw/zinc/05/20/72/569052072.db2.gz NXDQHZDLIIEYSV-DOTOQJQBSA-N 0 1 401.260 3.633 50 10 biogenic HHCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001830301 569056341 /nfs/dbraw/zinc/05/63/41/569056341.db2.gz DFBUQCAWVZDUGC-YBFXNURJSA-N 0 1 407.401 3.693 50 10 HHCAMN O=C1NC(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000009319247 571247860 /nfs/dbraw/zinc/24/78/60/571247860.db2.gz IWPFFZLFKIIMGC-VYVDHXHBSA-N 0 1 400.434 3.634 50 10 HHCAMN