smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001115631 194029631 /nfs/dbraw/zinc/02/96/31/194029631.db2.gz UHDWHKUCQLYPPV-RGVLZGJSSA-N 0 1 473.554 5.111 50 10 JKCAMN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000001125904 194036086 /nfs/dbraw/zinc/03/60/86/194036086.db2.gz ANBFFJZVFMKHAJ-LFIBNONCSA-N 0 1 497.916 5.497 50 10 JKCAMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000001130514 194038850 /nfs/dbraw/zinc/03/88/50/194038850.db2.gz JRQQXNZUKHTACS-QGOAFFKASA-N 0 1 451.935 5.119 50 10 JKCAMN O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001134267 194041016 /nfs/dbraw/zinc/04/10/16/194041016.db2.gz SMGUVRHQFAUOOI-GZTJUZNOSA-N 0 1 451.822 5.011 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001240099 194078807 /nfs/dbraw/zinc/07/88/07/194078807.db2.gz LBKKALYYOIGFOO-ZHZULCJRSA-N 0 1 455.514 5.500 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001278502 194081419 /nfs/dbraw/zinc/08/14/19/194081419.db2.gz GFIFYZFJARVWAP-PDGQHHTCSA-N 0 1 453.926 5.129 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001293785 194081900 /nfs/dbraw/zinc/08/19/00/194081900.db2.gz KNVQLKVPENBMKQ-MHWRWJLKSA-N 0 1 461.301 6.064 50 10 JKCAMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000001514090 194127003 /nfs/dbraw/zinc/12/70/03/194127003.db2.gz KZMZMEOTYSXXOU-UHFFFAOYSA-N 0 1 464.768 5.443 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000001747797 194133890 /nfs/dbraw/zinc/13/38/90/194133890.db2.gz DTMVIPQDRBCLTI-ZDUSSCGKSA-N 0 1 451.872 6.212 50 10 biogenic JKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21 ZINC000001768209 194135592 /nfs/dbraw/zinc/13/55/92/194135592.db2.gz UXUITPMLYGDMKA-UHFFFAOYSA-N 0 1 465.468 5.434 50 10 biogenic JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000001913295 194155227 /nfs/dbraw/zinc/15/52/27/194155227.db2.gz HVSORPOVHSOBFS-UHFFFAOYSA-N 0 1 483.486 6.215 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc32)C1 ZINC000001913344 194155526 /nfs/dbraw/zinc/15/55/26/194155526.db2.gz CABJPKLEZUYNKQ-CYBMUJFWSA-N 0 1 451.872 6.070 50 10 JKCAMN CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl ZINC000002996371 194197842 /nfs/dbraw/zinc/19/78/42/194197842.db2.gz HWIUGRUNUFTLSV-KGENOOAVSA-N 0 1 478.932 5.245 50 10 JKCAMN COc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccc(Br)cc4)n[nH]3)c2C)cc1 ZINC000003409203 194314841 /nfs/dbraw/zinc/31/48/41/194314841.db2.gz YKOXUVXYECKJRP-UHFFFAOYSA-N 0 1 497.418 5.625 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21 ZINC000004289899 194387251 /nfs/dbraw/zinc/38/72/51/194387251.db2.gz QNWBCUHFOOGDQQ-INIZCTEOSA-N 0 1 465.899 6.602 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000004290007 194387348 /nfs/dbraw/zinc/38/73/48/194387348.db2.gz KBEDTBQFKKWVJW-HNNXBMFYSA-N 0 1 461.480 5.958 50 10 biogenic JKCAMN COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)cc(Br)c3O)C2)cc1 ZINC000020764454 195220238 /nfs/dbraw/zinc/22/02/38/195220238.db2.gz JCCNFTQKAGJJIL-UYAOXDASSA-N 0 1 482.216 5.432 50 10 JKCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000016677423 520622004 /nfs/dbraw/zinc/62/20/04/520622004.db2.gz KBGSIWDXPLWQHB-ZHZULCJRSA-N 0 1 492.984 5.149 50 10 JKCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(O)c1 ZINC000016675930 520880831 /nfs/dbraw/zinc/88/08/31/520880831.db2.gz HVBMOYHIGUAVIK-OQLLNIDSSA-N 0 1 464.374 5.217 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000001184992 521033671 /nfs/dbraw/zinc/03/36/71/521033671.db2.gz AGLZOVHTPXMAIP-XSFVSMFZSA-N 0 1 496.386 5.310 50 10 JKCAMN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000033347725 521852820 /nfs/dbraw/zinc/85/28/20/521852820.db2.gz MJSVTEAOELDYSX-PLRJNAJWSA-N 0 1 491.616 6.687 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O ZINC000085877600 523081740 /nfs/dbraw/zinc/08/17/40/523081740.db2.gz VBOAUAMOWKRVOU-UHFFFAOYSA-N 0 1 489.528 5.702 50 10 biogenic JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1 ZINC000001163076 524382610 /nfs/dbraw/zinc/38/26/10/524382610.db2.gz YMKQNBZVQLJFLM-XDHOZWIPSA-N 0 1 452.919 5.589 50 10 JKCAMN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 ZINC000033304437 524411478 /nfs/dbraw/zinc/41/14/78/524411478.db2.gz WEJFVFNDRUODML-NDENLUEZSA-N 0 1 474.498 5.071 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000009009338 524531933 /nfs/dbraw/zinc/53/19/33/524531933.db2.gz WXOZKPZVVQWGIE-HZHRSRAPSA-N 0 1 494.576 5.260 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1C ZINC000033333282 524532111 /nfs/dbraw/zinc/53/21/11/524532111.db2.gz SNSMLCJGMOMCLT-UYRXBGFRSA-N 0 1 469.488 5.785 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c(C)c1 ZINC000033348442 524917725 /nfs/dbraw/zinc/91/77/25/524917725.db2.gz FKDJHRDQCDVWRP-PDGQHHTCSA-N 0 1 485.055 6.841 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c(C)c1 ZINC000002099580 524918483 /nfs/dbraw/zinc/91/84/83/524918483.db2.gz FKDJHRDQCDVWRP-LDADJPATSA-N 0 1 485.055 6.001 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000016266801 526085833 /nfs/dbraw/zinc/08/58/33/526085833.db2.gz OVLLCANZXQPQGM-RGVLZGJSSA-N 0 1 478.892 5.158 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000001150794 526086616 /nfs/dbraw/zinc/08/66/16/526086616.db2.gz RYYFWEPYORGYOH-RGVLZGJSSA-N 0 1 467.953 5.867 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1 ZINC000002917163 526091494 /nfs/dbraw/zinc/09/14/94/526091494.db2.gz OZQRGYYQJHRSRJ-WOJGMQOQSA-N 0 1 470.381 5.232 50 10 JKCAMN Cc1cc(C(=O)COC(=O)c2cc(=O)c3cc(C)ccc3[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012523523 526212218 /nfs/dbraw/zinc/21/22/18/526212218.db2.gz DSAXEKVTNUKACH-UHFFFAOYSA-N 0 1 482.458 5.303 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000013536038 527047951 /nfs/dbraw/zinc/04/79/51/527047951.db2.gz ZRRMZDUBQXAMMI-YBFXNURJSA-N 0 1 494.334 5.251 50 10 JKCAMN O=S(=O)([N-]c1cccc(N2CCC([N@@H+]3CCCC[C@@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 ZINC000012455007 527253775 /nfs/dbraw/zinc/25/37/75/527253775.db2.gz MFDVHPILYVVAHM-HHHXNRCGSA-N 0 1 494.636 5.218 50 10 JKCAMN O=S(=O)([N-]c1cccc(N2CCC([N@H+]3CCCC[C@@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 ZINC000012455007 527253779 /nfs/dbraw/zinc/25/37/79/527253779.db2.gz MFDVHPILYVVAHM-HHHXNRCGSA-N 0 1 494.636 5.218 50 10 JKCAMN O=S(=O)([N-]c1cccc(N2CCC([N@@H+]3CCCC[C@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 ZINC000012455010 527254009 /nfs/dbraw/zinc/25/40/09/527254009.db2.gz MFDVHPILYVVAHM-MHZLTWQESA-N 0 1 494.636 5.218 50 10 JKCAMN O=S(=O)([N-]c1cccc(N2CCC([N@H+]3CCCC[C@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 ZINC000012455010 527254013 /nfs/dbraw/zinc/25/40/13/527254013.db2.gz MFDVHPILYVVAHM-MHZLTWQESA-N 0 1 494.636 5.218 50 10 JKCAMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC ZINC000000632319 553718768 /nfs/dbraw/zinc/71/87/68/553718768.db2.gz HVSMLPFOMULKPC-UHFFFAOYSA-N 0 1 466.342 5.042 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000000634872 553720832 /nfs/dbraw/zinc/72/08/32/553720832.db2.gz OVKFQYLWCSCIRA-HMAPJEAMSA-N 0 1 486.984 5.127 50 10 JKCAMN CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 ZINC000000666602 553742529 /nfs/dbraw/zinc/74/25/29/553742529.db2.gz IWANSPYEHJHTLX-KGENOOAVSA-N 0 1 478.932 5.189 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000000849729 553797664 /nfs/dbraw/zinc/79/76/64/553797664.db2.gz XQJUGKVZQKDGQO-XNTDXEJSSA-N 0 1 461.301 5.224 50 10 JKCAMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000000858024 553801070 /nfs/dbraw/zinc/80/10/70/553801070.db2.gz VNYACUMNKIHHGT-BUVRLJJBSA-N 0 1 457.599 5.945 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000000980554 553891053 /nfs/dbraw/zinc/89/10/53/553891053.db2.gz BSHHKUWCFQGRGI-UNOMPAQXSA-N 0 1 467.953 5.026 50 10 JKCAMN Oc1c(Br)cc2oc3c(c2c1CNc1ccc(I)cc1)CCCC3 ZINC000001773390 553987134 /nfs/dbraw/zinc/98/71/34/553987134.db2.gz QZIJQIVOZMQRHG-UHFFFAOYSA-N 0 1 498.158 5.996 50 10 JKCAMN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000001916160 554003800 /nfs/dbraw/zinc/00/38/00/554003800.db2.gz ZSSIOWGFBMMBMA-OAHLLOKOSA-N 0 1 495.925 6.954 50 10 JKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000001916170 554003890 /nfs/dbraw/zinc/00/38/90/554003890.db2.gz NOOFGEOGYIGZIF-UHFFFAOYSA-N 0 1 483.914 6.812 50 10 JKCAMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c1-c1nc2ccccc2s1 ZINC000002106881 554046903 /nfs/dbraw/zinc/04/69/03/554046903.db2.gz KQYBKHPFDHPYKD-HPGBDJQBSA-N 0 1 474.626 6.484 50 10 biogenic JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002174349 554077215 /nfs/dbraw/zinc/07/72/15/554077215.db2.gz HUTRLQYCNYVJEP-CPNJWEJPSA-N 0 1 489.959 5.313 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000002239485 554109095 /nfs/dbraw/zinc/10/90/95/554109095.db2.gz AOZNCDMRDDHWDM-WQRHYEAKSA-N 0 1 494.334 5.251 50 10 JKCAMN Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S ZINC000002398545 554184201 /nfs/dbraw/zinc/18/42/01/554184201.db2.gz DDVQXTQEKDRUIM-RCCKNPSSSA-N 0 1 488.012 5.883 50 10 JKCAMN CC1(C)OC(=O)C(=CNc2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)O1 ZINC000002562199 554236288 /nfs/dbraw/zinc/23/62/88/554236288.db2.gz GGZZFOYFLXKUKQ-UHFFFAOYSA-N 0 1 458.845 5.037 50 10 JKCAMN Cc1cc(C(=O)C[C@@H](C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(C)cc1 ZINC000002616059 554240996 /nfs/dbraw/zinc/24/09/96/554240996.db2.gz BXJZIACKAMLYBN-VWLOTQADSA-N 0 1 478.617 7.252 50 10 JKCAMN CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(C[N@@H+]2CCCC[C@H]2CC)c1[O-] ZINC000002996676 554421599 /nfs/dbraw/zinc/42/15/99/554421599.db2.gz POLNWZAMALLAES-OAQYLSRUSA-N 0 1 457.574 5.678 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006147914 554511110 /nfs/dbraw/zinc/51/11/10/554511110.db2.gz VEPFKZJYJGNFHO-INIZCTEOSA-N 0 1 465.899 6.602 50 10 biogenic JKCAMN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2C)c1=O ZINC000008443307 554592915 /nfs/dbraw/zinc/59/29/15/554592915.db2.gz JMGDGYWJORGQQQ-LPYMAVHISA-N 0 1 492.421 5.895 50 10 JKCAMN CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008766769 554667338 /nfs/dbraw/zinc/66/73/38/554667338.db2.gz CEIGJHMFFLPSKB-RPNTZMPASA-N 0 1 461.518 5.176 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc21 ZINC000008789573 554682174 /nfs/dbraw/zinc/68/21/74/554682174.db2.gz KLVGKBLGJRUBIL-AWEZNQCLSA-N 0 1 496.357 5.409 50 10 biogenic JKCAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)c1 ZINC000008859982 554756569 /nfs/dbraw/zinc/75/65/69/554756569.db2.gz SMSUMPVKNCTGAG-UHFFFAOYSA-N 0 1 466.540 5.547 50 10 JKCAMN Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008914392 554807398 /nfs/dbraw/zinc/80/73/98/554807398.db2.gz YHFWHRNYVXIROR-LFVJCYFKSA-N 0 1 483.524 5.514 50 10 JKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000008919872 554816711 /nfs/dbraw/zinc/81/67/11/554816711.db2.gz IVWULXATDPVHCT-MGNBDDOMSA-N 0 1 483.859 6.840 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc21 ZINC000008951962 554835056 /nfs/dbraw/zinc/83/50/56/554835056.db2.gz FXAHGALVUUIDKP-KRWDZBQOSA-N 0 1 461.514 5.045 50 10 biogenic JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000008968980 554843047 /nfs/dbraw/zinc/84/30/47/554843047.db2.gz XQAYGQIAGUHECP-XSFVSMFZSA-N 0 1 489.915 5.469 50 10 JKCAMN CCc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000008997263 554858467 /nfs/dbraw/zinc/85/84/67/554858467.db2.gz IWMXFGLZUUADSO-PCLIKHOPSA-N 0 1 479.605 6.232 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 ZINC000009009649 554863228 /nfs/dbraw/zinc/86/32/28/554863228.db2.gz LMAJVANIMFMBAZ-JJIBRWJFSA-N 0 1 483.593 5.320 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 ZINC000009015632 554866023 /nfs/dbraw/zinc/86/60/23/554866023.db2.gz DVVUYEHSNXFVQL-XIEYBQDHSA-N 0 1 497.620 5.710 50 10 JKCAMN COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 ZINC000009016064 554866316 /nfs/dbraw/zinc/86/63/16/554866316.db2.gz KHPKUGLLXMSVKA-NDENLUEZSA-N 0 1 495.988 5.436 50 10 JKCAMN C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c([O-])c3c(=O)cc(-c4ccccc4)oc23)C1 ZINC000009043311 554869592 /nfs/dbraw/zinc/86/95/92/554869592.db2.gz XSJQHACBDRANOR-PMACEKPBSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000009043311 554869594 /nfs/dbraw/zinc/86/95/94/554869594.db2.gz XSJQHACBDRANOR-PMACEKPBSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000009043311 554869596 /nfs/dbraw/zinc/86/95/96/554869596.db2.gz XSJQHACBDRANOR-PMACEKPBSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21 ZINC000009319517 555093933 /nfs/dbraw/zinc/09/39/33/555093933.db2.gz IUWWTJGSLPGPTR-CQSZACIVSA-N 0 1 451.906 5.300 50 10 biogenic JKCAMN CCCN1CCN(c2cc(Nc3ccc(OCC)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009780056 555499436 /nfs/dbraw/zinc/49/94/36/555499436.db2.gz CGPQLWHCJSKOEG-UHFFFAOYSA-N 0 1 482.584 5.714 50 10 JKCAMN CCCN1CCN(c2cc(Nc3ccc(C(=O)OC)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009780080 555499520 /nfs/dbraw/zinc/49/95/20/555499520.db2.gz HJTDDTXPKNBMHT-UHFFFAOYSA-N 0 1 496.567 5.101 50 10 JKCAMN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000010059393 555609922 /nfs/dbraw/zinc/60/99/22/555609922.db2.gz GXDKHBRWZOGIQI-XYZCENFISA-N 0 1 469.832 6.450 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013801997 555622114 /nfs/dbraw/zinc/62/21/14/555622114.db2.gz JYKILYPXHAUAAL-MOSHPQCFSA-N 0 1 480.387 5.528 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1[O-] ZINC000011867323 555844197 /nfs/dbraw/zinc/84/41/97/555844197.db2.gz MPNBYOPYBMAXEQ-LJQANCHMSA-N 0 1 461.587 5.268 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@H+]2CCCC[C@H]2C)c1[O-] ZINC000011869519 555845923 /nfs/dbraw/zinc/84/59/23/555845923.db2.gz IUJXAJIMXMCGJP-GOSISDBHSA-N 0 1 473.617 6.113 50 10 JKCAMN COc1cc([N+](=O)[O-])cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077981 555871949 /nfs/dbraw/zinc/87/19/49/555871949.db2.gz HIRWERIBQUXYIX-XMMPIXPASA-N 0 1 484.936 5.127 50 10 JKCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077981 555871952 /nfs/dbraw/zinc/87/19/52/555871952.db2.gz HIRWERIBQUXYIX-XMMPIXPASA-N 0 1 484.936 5.127 50 10 JKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC ZINC000015799463 556007757 /nfs/dbraw/zinc/00/77/57/556007757.db2.gz BHOCRGCSSUNEQU-FMIVXFBMSA-N 0 1 451.331 5.072 50 10 JKCAMN COc1ccc(-c2ccc(CCC(=O)N3CCN(CC(C)C)CC3)n2-c2ccc(SC)cc2)cc1 ZINC000023443972 556061360 /nfs/dbraw/zinc/06/13/60/556061360.db2.gz UPFWGKAIHBEBPN-UHFFFAOYSA-N 0 1 491.701 5.608 50 10 JKCAMN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015947454 556085477 /nfs/dbraw/zinc/08/54/77/556085477.db2.gz CKOTZNITJSGSJB-MLXNANBUSA-N 0 1 472.202 5.532 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc3C2)cc1 ZINC000016914324 556178281 /nfs/dbraw/zinc/17/82/81/556178281.db2.gz DPIKTWLSFCQEBK-VWLOTQADSA-N 0 1 478.434 5.045 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 ZINC000016914467 556178711 /nfs/dbraw/zinc/17/87/11/556178711.db2.gz DRFWFKURKCYSFS-VWLOTQADSA-N 0 1 478.434 5.045 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCc3ccccc3C2)cc1 ZINC000016914581 556179016 /nfs/dbraw/zinc/17/90/16/556179016.db2.gz XYYGDHCDOAYILT-RUZDIDTESA-N 0 1 478.434 5.045 50 10 JKCAMN Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000017122698 556219882 /nfs/dbraw/zinc/21/98/82/556219882.db2.gz ZQMBRMNKUNGDMX-ATVHPVEESA-N 0 1 467.344 5.689 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000017167443 556230415 /nfs/dbraw/zinc/23/04/15/556230415.db2.gz OVKFQYLWCSCIRA-HYARGMPZSA-N 0 1 486.984 5.127 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000018066133 556282181 /nfs/dbraw/zinc/28/21/81/556282181.db2.gz KQNVRYPVBKRLNG-WQRHYEAKSA-N 0 1 480.889 5.107 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018089148 556286233 /nfs/dbraw/zinc/28/62/33/556286233.db2.gz KDWPXBAHHVCUNV-SDHSZQHLSA-N 0 1 475.976 5.237 50 10 JKCAMN Cc1ccc(C)c(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000027548754 556295405 /nfs/dbraw/zinc/29/54/05/556295405.db2.gz QOYNXWHJHJHLAT-HAHDFKILSA-N 0 1 483.524 5.432 50 10 JKCAMN CC(C)c1ccc2c(c1)[C@@H](N1CCN(Cc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370875 556346994 /nfs/dbraw/zinc/34/69/94/556346994.db2.gz WLPNXKJYBLSZCS-SANMLTNESA-N 0 1 464.625 6.654 50 10 JKCAMN CC(C)c1ccc2c(c1)[C@H](N1CCN(CCOc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370890 556347046 /nfs/dbraw/zinc/34/70/46/556347046.db2.gz FZQUOGKQOBDCFB-HHHXNRCGSA-N 0 1 494.651 6.533 50 10 JKCAMN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019596414 556356347 /nfs/dbraw/zinc/35/63/47/556356347.db2.gz ZTUCLIOXFQERGZ-CQSZACIVSA-N 0 1 463.452 5.693 50 10 biogenic JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc21 ZINC000019789767 556370052 /nfs/dbraw/zinc/37/00/52/556370052.db2.gz SIPYLGLFKQBYQJ-OAHLLOKOSA-N 0 1 477.479 6.083 50 10 JKCAMN CC[N@@H+](Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000019791773 556371047 /nfs/dbraw/zinc/37/10/47/556371047.db2.gz PXJGSCNUKJPYMO-UHFFFAOYSA-N 0 1 475.507 6.773 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21 ZINC000019793051 556372293 /nfs/dbraw/zinc/37/22/93/556372293.db2.gz AWTZRHOZASRJPY-UHFFFAOYSA-N 0 1 483.486 6.640 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019793041 556372326 /nfs/dbraw/zinc/37/23/26/556372326.db2.gz SXYIMVLWLYSQAP-OAHLLOKOSA-N 0 1 461.480 6.247 50 10 JKCAMN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793073 556372391 /nfs/dbraw/zinc/37/23/91/556372391.db2.gz WIRICJGDVHQDQE-CQSZACIVSA-N 0 1 461.480 6.158 50 10 JKCAMN CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc1C(F)(F)F ZINC000019793182 556372605 /nfs/dbraw/zinc/37/26/05/556372605.db2.gz RQBLCUFRGDRTIN-HNNXBMFYSA-N 0 1 477.479 5.940 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)c1 ZINC000019793133 556372688 /nfs/dbraw/zinc/37/26/88/556372688.db2.gz UEEFFHNBVYNBKL-UHFFFAOYSA-N 0 1 483.486 6.559 50 10 JKCAMN CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(C[N@@H+](C)Cc3ccccc3)c2oc1C(F)(F)F ZINC000019793186 556373089 /nfs/dbraw/zinc/37/30/89/556373089.db2.gz LHUPCFFLUCJBCV-UHFFFAOYSA-N 0 1 499.485 6.340 50 10 JKCAMN Cc1oc2ccc([O-])c(C[N@H+](C)Cc3ccccc3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008612193 562947914 /nfs/dbraw/zinc/94/79/14/562947914.db2.gz CIATVCCPFKNCHK-UHFFFAOYSA-N 0 1 468.475 6.350 50 10 aggregator JKCAMN Cc1oc2ccc([O-])c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008612193 562947915 /nfs/dbraw/zinc/94/79/15/562947915.db2.gz CIATVCCPFKNCHK-UHFFFAOYSA-N 0 1 468.475 6.350 50 10 aggregator JKCAMN Cc1oc2ccc([O-])c(C[N@H+](C)C3CCN(C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008717865 569596871 /nfs/dbraw/zinc/59/68/71/569596871.db2.gz RETLMZFEIXKONJ-UHFFFAOYSA-N 0 1 475.511 5.244 50 10 JKCAMN COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000034683343 569644289 /nfs/dbraw/zinc/64/42/89/569644289.db2.gz FAIIXPPABOPVGT-UHFFFAOYSA-N 0 1 464.993 5.674 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 ZINC000085877074 569716021 /nfs/dbraw/zinc/71/60/21/569716021.db2.gz WZHUUCNGDZHJKA-UHFFFAOYSA-N 0 1 473.529 5.996 50 10 biogenic JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(OCc2ccccn2)cc1 ZINC000095472741 569723706 /nfs/dbraw/zinc/72/37/06/569723706.db2.gz KWIBEIMIAPWXGG-UHFFFAOYSA-N 0 1 482.496 5.669 50 10 JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(OCc2ccccc2)cc1 ZINC000095475231 569724255 /nfs/dbraw/zinc/72/42/55/569724255.db2.gz PVLQRDSPBRJGGO-UHFFFAOYSA-N 0 1 481.508 6.274 50 10 JKCAMN O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3cccc(O)c3)c12 ZINC000095480249 569724681 /nfs/dbraw/zinc/72/46/81/569724681.db2.gz UTFZXRXGUOGLCV-UHFFFAOYSA-N 0 1 459.502 6.106 50 10 JKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccc(Cl)cc2Cl)CC(=O)O1 ZINC000096114864 569733814 /nfs/dbraw/zinc/73/38/14/569733814.db2.gz UOPSCSVSQQJKGS-CQSZACIVSA-N 0 1 469.276 5.619 50 10 biogenic JKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccc(Cl)cc2Cl)CC(=O)O1 ZINC000096114863 569733828 /nfs/dbraw/zinc/73/38/28/569733828.db2.gz UOPSCSVSQQJKGS-AWEZNQCLSA-N 0 1 469.276 5.619 50 10 biogenic JKCAMN COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222886 569739819 /nfs/dbraw/zinc/73/98/19/569739819.db2.gz WPOLLYDSBJBVKJ-IBGZPJMESA-N 0 1 490.508 5.059 50 10 biogenic JKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000096563477 569741186 /nfs/dbraw/zinc/74/11/86/569741186.db2.gz POHNENBLGSETJP-QJOMJCCJSA-N 0 1 492.959 5.048 50 10 JKCAMN O=C1C[C@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712899 569767527 /nfs/dbraw/zinc/76/75/27/569767527.db2.gz ZNNJOBGUIQLDKJ-JXCCHBHTSA-N 0 1 452.436 5.543 50 10 JKCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000036347394 569771035 /nfs/dbraw/zinc/77/10/35/569771035.db2.gz NKTSASJPVPZTIB-NRFANRHFSA-N 0 1 461.440 5.125 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101157119 569784879 /nfs/dbraw/zinc/78/48/79/569784879.db2.gz KDWPXBAHHVCUNV-GVAUOCQISA-N 0 1 475.976 5.237 50 10 JKCAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nc(-c2ccccc2)cs1 ZINC000102437994 569813086 /nfs/dbraw/zinc/81/30/86/569813086.db2.gz PBHMFBJLPHZMMZ-BOPFTXTBSA-N 0 1 486.338 5.133 50 10 JKCAMN COC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000102580623 569814449 /nfs/dbraw/zinc/81/44/49/569814449.db2.gz ZCVFGLZSGPVFTH-TWQQJCIXSA-N 0 1 451.592 5.404 50 10 JKCAMN CCCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000044827054 569839369 /nfs/dbraw/zinc/83/93/69/569839369.db2.gz WCBIAGDNKOSLDH-XDJHFCHBSA-N 0 1 497.617 5.687 50 10 JKCAMN Cc1ccc2c(c1)cc(-c1c3cn[nH]c3nc3c4ccc(O)c(O)c4oc31)c(=O)n2CC(C)C ZINC000217747688 569881354 /nfs/dbraw/zinc/88/13/54/569881354.db2.gz QAKVKSWXCFUSKW-UHFFFAOYSA-N 0 1 454.486 5.215 50 10 biogenic JKCAMN COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000218112553 569882703 /nfs/dbraw/zinc/88/27/03/569882703.db2.gz SLMHAGRPZUVORZ-INIZCTEOSA-N 0 1 481.460 5.220 50 10 biogenic JKCAMN COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000218112553 569882704 /nfs/dbraw/zinc/88/27/04/569882704.db2.gz SLMHAGRPZUVORZ-INIZCTEOSA-N 0 1 481.460 5.220 50 10 biogenic JKCAMN COC(=O)C[C@@H]1c2cc3ccccc3nc2Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000218112468 569882762 /nfs/dbraw/zinc/88/27/62/569882762.db2.gz SLMHAGRPZUVORZ-MRXNPFEDSA-N 0 1 481.460 5.220 50 10 biogenic JKCAMN COC(=O)C[C@@H]1c2cc3ccccc3nc2Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000218112468 569882763 /nfs/dbraw/zinc/88/27/63/569882763.db2.gz SLMHAGRPZUVORZ-MRXNPFEDSA-N 0 1 481.460 5.220 50 10 biogenic JKCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1OCc1ccccc1 ZINC000218288784 569883219 /nfs/dbraw/zinc/88/32/19/569883219.db2.gz LXOCORIZIGJJEG-UHFFFAOYSA-N 0 1 453.454 5.523 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001011730 194002949 /nfs/dbraw/zinc/00/29/49/194002949.db2.gz IBWQMCLALIBJNS-JAIQZWGSSA-N 0 1 469.324 5.042 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000001013586 194003162 /nfs/dbraw/zinc/00/31/62/194003162.db2.gz RYJMJDQKYYVUAV-DEDYPNTBSA-N 0 1 489.959 5.313 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 ZINC000001240107 194078840 /nfs/dbraw/zinc/07/88/40/194078840.db2.gz ROLPJJZLLZKITC-HZHRSRAPSA-N 0 1 459.571 5.473 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001257896 194080560 /nfs/dbraw/zinc/08/05/60/194080560.db2.gz MSOQUYKKFYACCN-XNTDXEJSSA-N 0 1 461.301 6.064 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000001410520 194116618 /nfs/dbraw/zinc/11/66/18/194116618.db2.gz CHZNHEKKRJVNDB-LDADJPATSA-N 0 1 451.935 5.125 50 10 JKCAMN C[N@@H+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001770994 194136697 /nfs/dbraw/zinc/13/66/97/194136697.db2.gz FZLCHECTAWHPTI-UHFFFAOYSA-N 0 1 465.899 6.602 50 10 JKCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001835433 194148727 /nfs/dbraw/zinc/14/87/27/194148727.db2.gz GIVBFEAAAYPMEZ-XKZIYDEJSA-N 0 1 455.514 5.500 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc32)C1 ZINC000001871118 194151313 /nfs/dbraw/zinc/15/13/13/194151313.db2.gz KVVYDQNPTWIBKE-ZDUSSCGKSA-N 0 1 451.872 6.070 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc32)C1 ZINC000001913340 194155320 /nfs/dbraw/zinc/15/53/20/194155320.db2.gz CABJPKLEZUYNKQ-ZDUSSCGKSA-N 0 1 451.872 6.070 50 10 JKCAMN CCN1C(=O)NC(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O ZINC000002993688 194197603 /nfs/dbraw/zinc/19/76/03/194197603.db2.gz CALUWWXSCXQEHY-NBVRZTHBSA-N 0 1 451.910 5.086 50 10 JKCAMN CCCN1CCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741848 194359334 /nfs/dbraw/zinc/35/93/34/194359334.db2.gz UJUDEMWBKWCGDW-UHFFFAOYSA-N 0 1 481.600 5.381 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000004290119 194387300 /nfs/dbraw/zinc/38/73/00/194387300.db2.gz XTZCGELSAIFNCH-IBGZPJMESA-N 0 1 497.513 7.227 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000004290112 194387327 /nfs/dbraw/zinc/38/73/27/194387327.db2.gz MUMIHEPOBZGMGB-MRXNPFEDSA-N 0 1 483.486 6.837 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1C ZINC000009010131 194503784 /nfs/dbraw/zinc/50/37/84/194503784.db2.gz BBMPHDORROHQRS-KOEQRZSOSA-N 0 1 481.621 5.928 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)NC2=S)cc1 ZINC000009295812 194671526 /nfs/dbraw/zinc/67/15/26/194671526.db2.gz SFTZYMNNLIGWID-CIAFOILYSA-N 0 1 497.403 5.712 50 10 JKCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3c3cccnc3)c2=O)cc1OC ZINC000020761617 195218011 /nfs/dbraw/zinc/21/80/11/195218011.db2.gz IBKPSVLFMZANJP-QHCPKHFHSA-N 0 1 472.541 5.305 50 10 biogenic JKCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3c3cccnc3)c2=O)cc1OC ZINC000020761617 195218013 /nfs/dbraw/zinc/21/80/13/195218013.db2.gz IBKPSVLFMZANJP-QHCPKHFHSA-N 0 1 472.541 5.305 50 10 biogenic JKCAMN COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)cc(Br)c3O)C2)cc1 ZINC000020764458 195220366 /nfs/dbraw/zinc/22/03/66/195220366.db2.gz JCCNFTQKAGJJIL-QUCCMNQESA-N 0 1 482.216 5.432 50 10 JKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033332235 520622151 /nfs/dbraw/zinc/62/21/51/520622151.db2.gz ZHRVLUNNTMVUPV-NDENLUEZSA-N 0 1 483.351 5.433 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000001182431 521381408 /nfs/dbraw/zinc/38/14/08/521381408.db2.gz YEZHNURGJKGJIB-XSFVSMFZSA-N 0 1 451.935 5.201 50 10 JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O ZINC000085878035 521896560 /nfs/dbraw/zinc/89/65/60/521896560.db2.gz IQSZJPNLRDOTGY-UHFFFAOYSA-N 0 1 475.501 5.312 50 10 biogenic JKCAMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4Cl)C3=O)c2C)cc1 ZINC000016267308 521930856 /nfs/dbraw/zinc/93/08/56/521930856.db2.gz MTZXCVZGLMIYAT-FYJGNVAPSA-N 0 1 491.931 5.036 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033333734 521962644 /nfs/dbraw/zinc/96/26/44/521962644.db2.gz LVVOAIZXVYXADD-LPYMAVHISA-N 0 1 462.933 5.006 50 10 JKCAMN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000016672237 523052435 /nfs/dbraw/zinc/05/24/35/523052435.db2.gz MKQIARGPLSYWTL-DEOSSOPVSA-N 0 1 454.910 5.119 50 10 JKCAMN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000016672237 523052439 /nfs/dbraw/zinc/05/24/39/523052439.db2.gz MKQIARGPLSYWTL-DEOSSOPVSA-N 0 1 454.910 5.119 50 10 JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1OC ZINC000006148667 523073539 /nfs/dbraw/zinc/07/35/39/523073539.db2.gz CCNHMLGJOMBNLK-CQSZACIVSA-N 0 1 477.479 5.576 50 10 biogenic JKCAMN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000022419178 524235187 /nfs/dbraw/zinc/23/51/87/524235187.db2.gz SJRRZKATGMPPFE-VWLOTQADSA-N 0 1 479.024 5.336 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 ZINC000001201731 524383103 /nfs/dbraw/zinc/38/31/03/524383103.db2.gz ZWLUGTFPKSTLQG-DEDYPNTBSA-N 0 1 492.528 5.094 50 10 JKCAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000021741641 525263292 /nfs/dbraw/zinc/26/32/92/525263292.db2.gz ZIADRWXQHXYWBV-UHFFFAOYSA-N 0 1 485.609 5.126 50 10 JKCAMN Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000016193467 525412850 /nfs/dbraw/zinc/41/28/50/525412850.db2.gz PRGSAAUOMQBULL-XIEYBQDHSA-N 0 1 470.525 5.345 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000033332295 526091939 /nfs/dbraw/zinc/09/19/39/526091939.db2.gz XDVUUBLUKVTHDH-YBEGLDIGSA-N 0 1 471.916 5.697 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001186421 526939938 /nfs/dbraw/zinc/93/99/38/526939938.db2.gz JQIZWPJVGKYBAX-JLHYYAGUSA-N 0 1 488.308 5.833 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000001185022 526943497 /nfs/dbraw/zinc/94/34/97/526943497.db2.gz CHVKUHHQQYTTNL-DEDYPNTBSA-N 0 1 473.504 5.639 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)s1 ZINC000033333142 526946020 /nfs/dbraw/zinc/94/60/20/526946020.db2.gz RFJHDQHKBOYYMP-ATVHPVEESA-N 0 1 457.001 6.224 50 10 JKCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000016667541 527534641 /nfs/dbraw/zinc/53/46/41/527534641.db2.gz VFXAMSAGFCQISC-WQRHYEAKSA-N 0 1 471.742 5.108 50 10 JKCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000654916 553735586 /nfs/dbraw/zinc/73/55/86/553735586.db2.gz PGTBUAQDEGUHAG-UFFVCSGVSA-N 0 1 456.329 6.001 50 10 JKCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000661265 553739440 /nfs/dbraw/zinc/73/94/40/553739440.db2.gz KZIBUPZZAYHOAS-LDADJPATSA-N 0 1 459.424 5.307 50 10 JKCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000000661195 553739544 /nfs/dbraw/zinc/73/95/44/553739544.db2.gz KDIRYLMZPFCABD-GZTJUZNOSA-N 0 1 458.923 5.895 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1C ZINC000000664762 553741294 /nfs/dbraw/zinc/74/12/94/553741294.db2.gz SNSMLCJGMOMCLT-CPNJWEJPSA-N 0 1 469.488 5.785 50 10 JKCAMN COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000000666798 553742838 /nfs/dbraw/zinc/74/28/38/553742838.db2.gz GRDBUNLKDCADJA-YDZHTSKRSA-N 0 1 469.566 5.195 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000001913281 554003189 /nfs/dbraw/zinc/00/31/89/554003189.db2.gz SFTCFNRPXSLFSB-UHFFFAOYSA-N 0 1 454.353 6.495 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002282077 554131377 /nfs/dbraw/zinc/13/13/77/554131377.db2.gz NZNGOCCODWWFRG-LPYMAVHISA-N 0 1 471.969 6.015 50 10 JKCAMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1 ZINC000002308514 554142870 /nfs/dbraw/zinc/14/28/70/554142870.db2.gz PPORBSJWVUTOQJ-UQQQWYQISA-N 0 1 493.588 5.293 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002397477 554183725 /nfs/dbraw/zinc/18/37/25/554183725.db2.gz GFAMOQLEYKLPPJ-RCCKNPSSSA-N 0 1 473.985 5.574 50 10 JKCAMN Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000002595297 554239819 /nfs/dbraw/zinc/23/98/19/554239819.db2.gz KFMUHZREBIVZQK-JLPGSUDCSA-N 0 1 497.551 5.823 50 10 JKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000002596193 554239841 /nfs/dbraw/zinc/23/98/41/554239841.db2.gz AGCPZDFNOUXFCU-QOMWVZHYSA-N 0 1 491.616 5.283 50 10 JKCAMN CC(C)CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C\C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000006133938 554505628 /nfs/dbraw/zinc/50/56/28/554505628.db2.gz IVCDQEWYXBNGOX-TYYDQPQMSA-N 0 1 498.664 5.074 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000006147927 554511165 /nfs/dbraw/zinc/51/11/65/554511165.db2.gz DQHDGEURVWNDAG-CQSZACIVSA-N 0 1 465.899 6.602 50 10 JKCAMN O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(O)c(O)c3)[nH]c2-c2ccccc2)cc1 ZINC000006460656 554542450 /nfs/dbraw/zinc/54/24/50/554542450.db2.gz XCPDJSWCXITPBI-UHFFFAOYSA-N 0 1 450.469 6.192 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000008739304 554640979 /nfs/dbraw/zinc/64/09/79/554640979.db2.gz AOZNCDMRDDHWDM-WOJGMQOQSA-N 0 1 494.334 6.092 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000008742792 554645311 /nfs/dbraw/zinc/64/53/11/554645311.db2.gz OROKPJLKUBUDPE-GZTJUZNOSA-N 0 1 475.378 6.409 50 10 JKCAMN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N1 ZINC000008743402 554646006 /nfs/dbraw/zinc/64/60/06/554646006.db2.gz CIZKJZBRRSGRND-UHFFFAOYSA-N 0 1 478.464 5.309 50 10 JKCAMN CCc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008744375 554647454 /nfs/dbraw/zinc/64/74/54/554647454.db2.gz DVPMGHGYKRXBQD-KOEQRZSOSA-N 0 1 497.551 5.768 50 10 JKCAMN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(N4CCN(C)CC4)cc3)n2n1 ZINC000008763296 554663263 /nfs/dbraw/zinc/66/32/63/554663263.db2.gz IXYAAYULTLXEFE-UHFFFAOYSA-N 0 1 468.630 5.284 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008766485 554666891 /nfs/dbraw/zinc/66/68/91/554666891.db2.gz SVMDQAFKIHAHFV-GZTJUZNOSA-N 0 1 498.314 5.289 50 10 JKCAMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)c1 ZINC000008871905 554767855 /nfs/dbraw/zinc/76/78/55/554767855.db2.gz HABVRXOSNACLHX-UHFFFAOYSA-N 0 1 470.890 5.280 50 10 JKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000008919696 554816522 /nfs/dbraw/zinc/81/65/22/554816522.db2.gz FYBLDXNUJIOTPI-XTZNXHDOSA-N 0 1 483.859 6.840 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000008997434 554858943 /nfs/dbraw/zinc/85/89/43/554858943.db2.gz FSUUGTKMUYHECH-LPYMAVHISA-N 0 1 463.990 6.036 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009016105 554866309 /nfs/dbraw/zinc/86/63/09/554866309.db2.gz PTDAHUDJYSCURV-LTGZKZEYSA-N 0 1 488.012 5.964 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)c1 ZINC000009089892 554890624 /nfs/dbraw/zinc/89/06/24/554890624.db2.gz QFHIJAJSFKLJJD-JJIBRWJFSA-N 0 1 467.594 5.619 50 10 JKCAMN Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S ZINC000009090165 554890946 /nfs/dbraw/zinc/89/09/46/554890946.db2.gz ZBZUAVOSHPSDBT-HAVVHWLPSA-N 0 1 467.594 5.619 50 10 JKCAMN CCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000009158303 554948133 /nfs/dbraw/zinc/94/81/33/554948133.db2.gz XGORKVVNUHPGHE-INIZCTEOSA-N 0 1 451.519 5.150 50 10 biogenic JKCAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3O)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000009220344 554989672 /nfs/dbraw/zinc/98/96/72/554989672.db2.gz ZJTXJMNTOKUFHA-UHFFFAOYSA-N 0 1 470.501 5.161 50 10 JKCAMN CCc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2C)C(=O)NC1=S ZINC000009311813 555088269 /nfs/dbraw/zinc/08/82/69/555088269.db2.gz PVTWGBILPOGHOY-BWAHOGKJSA-N 0 1 491.616 5.846 50 10 JKCAMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1 ZINC000009323224 555096304 /nfs/dbraw/zinc/09/63/04/555096304.db2.gz UJQXRGAUJDUGLY-LDADJPATSA-N 0 1 464.631 5.435 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000009355093 555119683 /nfs/dbraw/zinc/11/96/83/555119683.db2.gz UCYLNKNEJAKATG-UQQQWYQISA-N 0 1 471.626 5.576 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000009424573 555189146 /nfs/dbraw/zinc/18/91/46/555189146.db2.gz QRDNCYKXXSPFRR-UCQKPKSFSA-N 0 1 461.562 5.188 50 10 JKCAMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2cccc(Cl)c2)cc1 ZINC000009514553 555305264 /nfs/dbraw/zinc/30/52/64/555305264.db2.gz IIYYGYIABPYBDI-UHFFFAOYSA-N 0 1 464.768 5.443 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009668608 555382387 /nfs/dbraw/zinc/38/23/87/555382387.db2.gz GCHNFRSJEWRHBR-XDHOZWIPSA-N 0 1 497.334 5.073 50 10 JKCAMN COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000009805742 555518026 /nfs/dbraw/zinc/51/80/26/555518026.db2.gz AHGLAQAXGBLVJK-CPNJWEJPSA-N 0 1 469.324 5.042 50 10 JKCAMN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000013774900 555615443 /nfs/dbraw/zinc/61/54/43/555615443.db2.gz HBJPJAFJLLFPDR-LCYFTJDESA-N 0 1 485.632 6.384 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013805206 555623019 /nfs/dbraw/zinc/62/30/19/555623019.db2.gz NGSZVKITUOELLM-SFHLNBCPSA-N 0 1 489.742 5.404 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013810888 555626536 /nfs/dbraw/zinc/62/65/36/555626536.db2.gz DWROTSDKPAMJAG-SFHLNBCPSA-N 0 1 489.742 5.404 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c(C)c1 ZINC000013879978 555638514 /nfs/dbraw/zinc/63/85/14/555638514.db2.gz NVUKORQUPZTYNX-WJDWOHSUSA-N 0 1 471.365 5.702 50 10 JKCAMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C1=O ZINC000020324468 555772286 /nfs/dbraw/zinc/77/22/86/555772286.db2.gz CNSGUBRUXMKXFL-CTFRJJSNSA-N 0 1 466.946 6.289 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000020344749 555778684 /nfs/dbraw/zinc/77/86/84/555778684.db2.gz HBKHFGIHJVSICG-UDWIEESQSA-N 0 1 498.377 5.667 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc32)C1 ZINC000011865063 555839569 /nfs/dbraw/zinc/83/95/69/555839569.db2.gz DPBHGVWXZWDYKQ-CQSZACIVSA-N 0 1 496.357 5.266 50 10 biogenic JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000015012840 555854734 /nfs/dbraw/zinc/85/47/34/555854734.db2.gz RYYFWEPYORGYOH-JAIQZWGSSA-N 0 1 467.953 5.026 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000015012836 555854822 /nfs/dbraw/zinc/85/48/22/555854822.db2.gz RZIQIQUNMUAHOG-IWIPYMOSSA-N 0 1 469.541 5.218 50 10 JKCAMN COc1cc([N+](=O)[O-])cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077980 555871979 /nfs/dbraw/zinc/87/19/79/555871979.db2.gz HIRWERIBQUXYIX-DEOSSOPVSA-N 0 1 484.936 5.127 50 10 JKCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077980 555871981 /nfs/dbraw/zinc/87/19/81/555871981.db2.gz HIRWERIBQUXYIX-DEOSSOPVSA-N 0 1 484.936 5.127 50 10 JKCAMN COc1ccccc1Oc1c(=O)c2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc1C(F)(F)F ZINC000023114505 556011463 /nfs/dbraw/zinc/01/14/63/556011463.db2.gz FEQPFXLKIOINDN-AWEZNQCLSA-N 0 1 463.452 5.550 50 10 biogenic JKCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000023382856 556050498 /nfs/dbraw/zinc/05/04/98/556050498.db2.gz HQFCJMVNIKUMNQ-XYGWBWBKSA-N 0 1 471.557 6.237 50 10 JKCAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947084 556084683 /nfs/dbraw/zinc/08/46/83/556084683.db2.gz SOAMVBUSIGFCMX-HSZRJFAPSA-N 0 1 468.022 5.893 50 10 JKCAMN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C ZINC000024992795 556171504 /nfs/dbraw/zinc/17/15/04/556171504.db2.gz XFYNTUIPARGKOD-UHFFFAOYSA-N 0 1 467.013 5.069 50 10 JKCAMN O=C1/C(=C/c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016949057 556183541 /nfs/dbraw/zinc/18/35/41/556183541.db2.gz FXPJBGYLEPMTQL-MLPAPPSSSA-N 0 1 471.741 5.122 50 10 JKCAMN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000017113551 556218306 /nfs/dbraw/zinc/21/83/06/556218306.db2.gz MAKVDYHMPRBPPI-NDEPHWFRSA-N 0 1 457.618 5.069 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000017123536 556220186 /nfs/dbraw/zinc/22/01/86/556220186.db2.gz LSSNIFHABSVFRH-WJDWOHSUSA-N 0 1 453.863 5.180 50 10 JKCAMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000026963391 556266869 /nfs/dbraw/zinc/26/68/69/556266869.db2.gz FYHLPZYUSGXCKZ-UHFFFAOYSA-N 0 1 461.282 5.017 50 10 JKCAMN COc1ccc2ccc(O)c([C@@H](c3ccccc3)N3CCN(C(=O)c4cccs4)CC3)c2c1 ZINC000013097038 556292645 /nfs/dbraw/zinc/29/26/45/556292645.db2.gz YGXXIVUCGJDLEZ-AREMUKBSSA-N 0 1 458.583 5.163 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000027532420 556292744 /nfs/dbraw/zinc/29/27/44/556292744.db2.gz HHRARRALGREBDN-CPNJWEJPSA-N 0 1 466.921 5.730 50 10 JKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000018181288 556299413 /nfs/dbraw/zinc/29/94/13/556299413.db2.gz GCHNFRSJEWRHBR-UNOMPAQXSA-N 0 1 497.334 5.073 50 10 JKCAMN Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1C ZINC000018190216 556300896 /nfs/dbraw/zinc/30/08/96/556300896.db2.gz BZVCGUYLGFOKOE-UQQQWYQISA-N 0 1 485.584 5.132 50 10 JKCAMN CC(C)c1ccc2c(c1)[C@H](N1CCN(Cc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370878 556347143 /nfs/dbraw/zinc/34/71/43/556347143.db2.gz WLPNXKJYBLSZCS-AREMUKBSSA-N 0 1 464.625 6.654 50 10 JKCAMN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019596412 556356548 /nfs/dbraw/zinc/35/65/48/556356548.db2.gz ZTUCLIOXFQERGZ-AWEZNQCLSA-N 0 1 463.452 5.693 50 10 biogenic JKCAMN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)c1 ZINC000019791757 556370725 /nfs/dbraw/zinc/37/07/25/556370725.db2.gz KWHQULMVYBEZAL-MRXNPFEDSA-N 0 1 461.480 6.301 50 10 JKCAMN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019792877 556371490 /nfs/dbraw/zinc/37/14/90/556371490.db2.gz YBEOYEQXGOOEPV-UHFFFAOYSA-N 0 1 469.459 6.250 50 10 JKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)CC1 ZINC000019793026 556371815 /nfs/dbraw/zinc/37/18/15/556371815.db2.gz XJDRDFDVHUZYIA-UHFFFAOYSA-N 0 1 482.886 5.101 50 10 JKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793018 556371885 /nfs/dbraw/zinc/37/18/85/556371885.db2.gz VSVWCICSXGJLQD-UHFFFAOYSA-N 0 1 455.860 6.195 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793009 556371925 /nfs/dbraw/zinc/37/19/25/556371925.db2.gz LTTJJPZWSGWROU-CQSZACIVSA-N 0 1 481.898 6.728 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@H]4CC)c3oc2C(F)(F)F)cc1 ZINC000019793035 556371936 /nfs/dbraw/zinc/37/19/36/556371936.db2.gz MWWJRPJENUISAC-QGZVFWFLSA-N 0 1 475.507 6.637 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CC[NH+](CC)CC4)c3oc2C(F)(F)F)cc1 ZINC000019793049 556372199 /nfs/dbraw/zinc/37/21/99/556372199.db2.gz WFUCBVVEYCLGRS-UHFFFAOYSA-N 0 1 476.495 5.010 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)C1 ZINC000019793087 556372223 /nfs/dbraw/zinc/37/22/23/556372223.db2.gz YBBDCPBIUZPMRL-CYBMUJFWSA-N 0 1 467.871 6.195 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793090 556372385 /nfs/dbraw/zinc/37/23/85/556372385.db2.gz RZHTXXXIHVYPGJ-HNNXBMFYSA-N 0 1 461.480 6.104 50 10 JKCAMN CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000035393722 563120164 /nfs/dbraw/zinc/12/01/64/563120164.db2.gz FQVYRZIXNQSVRU-ZHZULCJRSA-N 0 1 460.511 5.103 50 10 JKCAMN CCn1nc(C)c(N=Cc2c(C)[nH]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)c1C ZINC000008721678 569598640 /nfs/dbraw/zinc/59/86/40/569598640.db2.gz ZSJMWKQPBFWGBY-XYGWBWBKSA-N 0 1 457.622 5.706 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309658 569708488 /nfs/dbraw/zinc/70/84/88/569708488.db2.gz GSGVRKDVFKMHGR-FYJGNVAPSA-N 0 1 494.414 5.837 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000085875009 569715763 /nfs/dbraw/zinc/71/57/63/569715763.db2.gz JHDMWJQJMQHLHP-UHFFFAOYSA-N 0 1 475.501 5.225 50 10 biogenic JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O ZINC000085877940 569716146 /nfs/dbraw/zinc/71/61/46/569716146.db2.gz QEJGHKRTTWGNCT-UHFFFAOYSA-N 0 1 475.501 5.312 50 10 biogenic JKCAMN CC(C)n1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cn1 ZINC000095472154 569723590 /nfs/dbraw/zinc/72/35/90/569723590.db2.gz SDGYOPULFQIJEF-UHFFFAOYSA-N 0 1 475.549 6.177 50 10 JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(Br)cc1 ZINC000095480004 569724593 /nfs/dbraw/zinc/72/45/93/569724593.db2.gz AHTFGFBMALIJSD-UHFFFAOYSA-N 0 1 454.280 5.458 50 10 JKCAMN CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096114023 569733047 /nfs/dbraw/zinc/73/30/47/569733047.db2.gz PRSMVNCLGBKJCN-QGZVFWFLSA-N 0 1 458.466 5.099 50 10 biogenic JKCAMN CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114023 569733049 /nfs/dbraw/zinc/73/30/49/569733049.db2.gz PRSMVNCLGBKJCN-QGZVFWFLSA-N 0 1 458.466 5.099 50 10 biogenic JKCAMN CC(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114576 569733670 /nfs/dbraw/zinc/73/36/70/569733670.db2.gz XEWBRUCWQHDOKF-QGZVFWFLSA-N 0 1 488.492 5.053 50 10 biogenic JKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C ZINC000096115079 569734087 /nfs/dbraw/zinc/73/40/87/569734087.db2.gz FUGUXEPADIKDCN-QGZVFWFLSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC(C)C ZINC000096115079 569734089 /nfs/dbraw/zinc/73/40/89/569734089.db2.gz FUGUXEPADIKDCN-QGZVFWFLSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN CCc1ccc(-c2nc(C)c(-c3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)n[nH]3)s2)cc1 ZINC000038487640 569802133 /nfs/dbraw/zinc/80/21/33/569802133.db2.gz FULWJXRFDKKVKT-UHFFFAOYSA-N 0 1 487.629 5.042 50 10 JKCAMN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000102759460 569821499 /nfs/dbraw/zinc/82/14/99/569821499.db2.gz PROHNLRRZLTDRT-QNWVGRARSA-N 0 1 499.350 5.149 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102761842 569822315 /nfs/dbraw/zinc/82/23/15/569822315.db2.gz NGSZVKITUOELLM-IRFCIJBXSA-N 0 1 489.742 5.404 50 10 JKCAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1 ZINC000102762416 569822566 /nfs/dbraw/zinc/82/25/66/569822566.db2.gz MKHNEAQWPHFKIP-QNWVGRARSA-N 0 1 499.350 5.149 50 10 JKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000103450579 569834997 /nfs/dbraw/zinc/83/49/97/569834997.db2.gz DKSOSSRFICHCIC-DEOSSOPVSA-N 0 1 485.550 6.888 50 10 JKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103450619 569835064 /nfs/dbraw/zinc/83/50/64/569835064.db2.gz YKIOWDTYBKHRHI-PMERELPUSA-N 0 1 493.651 7.639 50 10 JKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000103636842 569836844 /nfs/dbraw/zinc/83/68/44/569836844.db2.gz QDUCXBKVUGVUNR-LCYFTJDESA-N 0 1 469.564 5.584 50 10 JKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103869768 569838683 /nfs/dbraw/zinc/83/86/83/569838683.db2.gz WTQHTGNCUZSUPS-MUUNZHRXSA-N 0 1 465.597 6.859 50 10 JKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103869766 569838764 /nfs/dbraw/zinc/83/87/64/569838764.db2.gz WTQHTGNCUZSUPS-NDEPHWFRSA-N 0 1 465.597 6.859 50 10 JKCAMN CCCCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000044827057 569839373 /nfs/dbraw/zinc/83/93/73/569839373.db2.gz VNCJCPGDCZBPNK-XMHGGMMESA-N 0 1 483.590 5.297 50 10 JKCAMN Oc1ccc2c3nc4n[nH]cc4c(-c4cccc(OCCc5ccc6c(c5)CCO6)c4)c3oc2c1O ZINC000217939419 569882237 /nfs/dbraw/zinc/88/22/37/569882237.db2.gz NAJQFIBRIHQTGM-UHFFFAOYSA-N 0 1 479.492 5.492 50 10 biogenic JKCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000226980566 570039438 /nfs/dbraw/zinc/03/94/38/570039438.db2.gz KRJYEFZBUAXKED-YTFSRNRJSA-N 0 1 482.367 5.111 50 10 JKCAMN O=C1NC(=NCc2ccccc2)SC1=Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000263640028 570173883 /nfs/dbraw/zinc/17/38/83/570173883.db2.gz UEVZKQRCIFGFPD-VXLYETTFSA-N 0 1 473.907 6.181 50 10 JKCAMN Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000001088469 194021726 /nfs/dbraw/zinc/02/17/26/194021726.db2.gz DTNXMKYBCQGPQK-BUVRLJJBSA-N 0 1 483.955 5.313 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000001137728 194043056 /nfs/dbraw/zinc/04/30/56/194043056.db2.gz RZIQIQUNMUAHOG-BUVRLJJBSA-N 0 1 469.541 5.218 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001747749 194133793 /nfs/dbraw/zinc/13/37/93/194133793.db2.gz ALGQGMJUWTZGSX-CYBMUJFWSA-N 0 1 451.872 6.212 50 10 biogenic JKCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001816109 194145658 /nfs/dbraw/zinc/14/56/58/194145658.db2.gz WGVRSOQZOKDYNN-LFVJCYFKSA-N 0 1 467.500 5.374 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000001913287 194155215 /nfs/dbraw/zinc/15/52/15/194155215.db2.gz GDEXOCBVYFUQOG-UHFFFAOYSA-N 0 1 487.905 6.860 50 10 JKCAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000002936420 194174042 /nfs/dbraw/zinc/17/40/42/194174042.db2.gz JERBJOUAOFVBBW-WOJGMQOQSA-N 0 1 467.890 5.488 50 10 JKCAMN CC[C@H](C)C(=O)O[C@@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000003108769 194226808 /nfs/dbraw/zinc/22/68/08/194226808.db2.gz DTYTUVZVFGDVES-GPFPLSEPSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN CCCN1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741844 194359256 /nfs/dbraw/zinc/35/92/56/194359256.db2.gz BMCVHCXQYKPKDC-UHFFFAOYSA-N 0 1 456.521 5.454 50 10 JKCAMN CCCN1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741846 194359299 /nfs/dbraw/zinc/35/92/99/194359299.db2.gz SXZGFLAFVPWCHZ-UHFFFAOYSA-N 0 1 496.567 5.086 50 10 JKCAMN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)o1 ZINC000003764403 194359893 /nfs/dbraw/zinc/35/98/93/194359893.db2.gz KSQIBIGNULHZSX-LICLKQGHSA-N 0 1 476.988 5.216 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)C1 ZINC000004136336 194380773 /nfs/dbraw/zinc/38/07/73/194380773.db2.gz JRPXNIDXGJKPNC-MRXNPFEDSA-N 0 1 483.486 6.695 50 10 JKCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000012868232 195162484 /nfs/dbraw/zinc/16/24/84/195162484.db2.gz OCXBGHNELHAQDE-HYARGMPZSA-N 0 1 472.501 5.233 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1 ZINC000001203818 521382635 /nfs/dbraw/zinc/38/26/35/521382635.db2.gz ALWRWBFFXZSIFJ-DEDYPNTBSA-N 0 1 477.498 5.234 50 10 JKCAMN COc1cc(Cl)c(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000001186210 522505143 /nfs/dbraw/zinc/50/51/43/522505143.db2.gz VWBJVLLUFSQEPE-UXBLZVDNSA-N 0 1 471.749 5.336 50 10 JKCAMN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2=O)cc1 ZINC000041585358 523078471 /nfs/dbraw/zinc/07/84/71/523078471.db2.gz OLSSYRIVXFQPFO-UHFFFAOYSA-N 0 1 490.987 5.458 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000001201853 524383145 /nfs/dbraw/zinc/38/31/45/524383145.db2.gz GCGVQFFVKSWBAD-FYJGNVAPSA-N 0 1 492.528 5.094 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000016676216 526085768 /nfs/dbraw/zinc/08/57/68/526085768.db2.gz HSQYOVWDMFFJED-RGVLZGJSSA-N 0 1 480.933 5.327 50 10 JKCAMN Cc1cnc(SCc2cccnc2)nc1[C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000012243678 526103574 /nfs/dbraw/zinc/10/35/74/526103574.db2.gz RFRUUHRDEUGUFJ-LNJOJYBOSA-N 0 1 459.663 5.431 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000020495244 526940406 /nfs/dbraw/zinc/94/04/06/526940406.db2.gz UGJBMKAXFAWNKR-GXDHUFHOSA-N 0 1 471.853 5.319 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016944611 526945070 /nfs/dbraw/zinc/94/50/70/526945070.db2.gz KNVQLKVPENBMKQ-YBEGLDIGSA-N 0 1 461.301 6.064 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000033352777 527046866 /nfs/dbraw/zinc/04/68/66/527046866.db2.gz ZRRMZDUBQXAMMI-ODLFYWEKSA-N 0 1 494.334 6.092 50 10 JKCAMN O=[P@@](c1ccccc1)([C@@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1 ZINC000016490963 527417340 /nfs/dbraw/zinc/41/73/40/527417340.db2.gz VACSDOJFRUDLQZ-IADCTJSHSA-N 0 1 477.383 5.729 50 10 JKCAMN O=[P@](c1ccccc1)([C@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1 ZINC000016490959 527417641 /nfs/dbraw/zinc/41/76/41/527417641.db2.gz VACSDOJFRUDLQZ-RNWIMVQKSA-N 0 1 477.383 5.729 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000631974 553718594 /nfs/dbraw/zinc/71/85/94/553718594.db2.gz HUTRLQYCNYVJEP-UYRXBGFRSA-N 0 1 489.959 6.154 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000000653707 553734253 /nfs/dbraw/zinc/73/42/53/553734253.db2.gz OSEZWXSLBJGJLR-RGVLZGJSSA-N 0 1 453.926 5.558 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000653712 553734279 /nfs/dbraw/zinc/73/42/79/553734279.db2.gz NUWDDSBYNXPKFP-RGVLZGJSSA-N 0 1 470.381 5.232 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000000653723 553734298 /nfs/dbraw/zinc/73/42/98/553734298.db2.gz QPXOTEOJRWRJHV-UDWIEESQSA-N 0 1 453.926 5.558 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000000686326 553756516 /nfs/dbraw/zinc/75/65/16/553756516.db2.gz CPLCMKOOUAPOOJ-WUXMJOGZSA-N 0 1 495.185 5.069 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000849721 553797719 /nfs/dbraw/zinc/79/77/19/553797719.db2.gz LSSNIFHABSVFRH-LFIBNONCSA-N 0 1 453.863 5.180 50 10 JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1OC ZINC000000956149 553883704 /nfs/dbraw/zinc/88/37/04/553883704.db2.gz GPNIZFSLSCLHTB-CQSZACIVSA-N 0 1 477.479 5.434 50 10 JKCAMN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)c1 ZINC000000977430 553889723 /nfs/dbraw/zinc/88/97/23/553889723.db2.gz FPSIBKJWMNXOND-HZHRSRAPSA-N 0 1 487.581 5.251 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000001180331 553928579 /nfs/dbraw/zinc/92/85/79/553928579.db2.gz AKHWPJYWHAXCOV-GXDHUFHOSA-N 0 1 471.853 5.319 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001273223 553939482 /nfs/dbraw/zinc/93/94/82/553939482.db2.gz NUWDDSBYNXPKFP-JAIQZWGSSA-N 0 1 470.381 5.644 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001274155 553939510 /nfs/dbraw/zinc/93/95/10/553939510.db2.gz RVRHVDJADWODFL-HAHDFKILSA-N 0 1 485.996 6.143 50 10 JKCAMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000002076091 554024603 /nfs/dbraw/zinc/02/46/03/554024603.db2.gz MJSVTEAOELDYSX-NCELDCMTSA-N 0 1 491.616 5.846 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 ZINC000002119441 554054741 /nfs/dbraw/zinc/05/47/41/554054741.db2.gz RNFZLANFRICZMQ-HYARGMPZSA-N 0 1 487.378 5.587 50 10 JKCAMN COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 ZINC000002195611 554089012 /nfs/dbraw/zinc/08/90/12/554089012.db2.gz KUMZZQHEKMYZEP-BKUYFWCQSA-N 0 1 475.570 5.091 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1[O-] ZINC000002277000 554129333 /nfs/dbraw/zinc/12/93/33/554129333.db2.gz MSVQRQDUIPRIMZ-WGDIFIGCSA-N 0 1 452.620 5.894 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002287826 554133762 /nfs/dbraw/zinc/13/37/62/554133762.db2.gz GMFGZEYLPFIQHC-GZTJUZNOSA-N 0 1 453.863 5.180 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000002298286 554138402 /nfs/dbraw/zinc/13/84/02/554138402.db2.gz GONPOPZQDVGEFS-YZSQISJMSA-N 0 1 485.653 5.885 50 10 JKCAMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002366036 554167548 /nfs/dbraw/zinc/16/75/48/554167548.db2.gz YSKNQISURFEAKJ-HAVVHWLPSA-N 0 1 485.971 5.448 50 10 JKCAMN Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000002643927 554262171 /nfs/dbraw/zinc/26/21/71/554262171.db2.gz NVLYUWCZZJUZBT-UHFFFAOYSA-N 0 1 473.421 5.678 50 10 JKCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002824239 554365762 /nfs/dbraw/zinc/36/57/62/554365762.db2.gz QJRGGNRLJLSARJ-LICLKQGHSA-N 0 1 488.308 5.833 50 10 JKCAMN O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1cccc2ccccc21 ZINC000002841314 554373064 /nfs/dbraw/zinc/37/30/64/554373064.db2.gz JAJATDYHWUEIKO-UHFFFAOYSA-N 0 1 491.568 7.025 50 10 JKCAMN O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2cccnc21 ZINC000002856796 554383471 /nfs/dbraw/zinc/38/34/71/554383471.db2.gz SCJRVKWKLBUINX-UHFFFAOYSA-N 0 1 465.581 5.502 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C(=O)NC2=S)cc1 ZINC000002878851 554400646 /nfs/dbraw/zinc/40/06/46/554400646.db2.gz IZCJRFBNPGNUBN-OQLLNIDSSA-N 0 1 451.331 5.072 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008743255 554645941 /nfs/dbraw/zinc/64/59/41/554645941.db2.gz GMFGZEYLPFIQHC-BOPFTXTBSA-N 0 1 453.863 5.180 50 10 JKCAMN CC[C@@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000008952225 554835758 /nfs/dbraw/zinc/83/57/58/554835758.db2.gz TYEMATUKFKXUNU-GBDYGOOCSA-N 0 1 456.542 5.119 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008984462 554848375 /nfs/dbraw/zinc/84/83/75/554848375.db2.gz DKPMIGNTFGOUQZ-YBFXNURJSA-N 0 1 469.324 5.042 50 10 JKCAMN Cc1cc(C)cc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000008997365 554858914 /nfs/dbraw/zinc/85/89/14/554858914.db2.gz KUQYGUMGJJHLKA-PCLIKHOPSA-N 0 1 497.551 5.823 50 10 JKCAMN Cc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1C ZINC000008997383 554858932 /nfs/dbraw/zinc/85/89/32/554858932.db2.gz IEOPFQKVGUHEFN-LFVJCYFKSA-N 0 1 497.551 5.823 50 10 JKCAMN COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S ZINC000009009633 554863012 /nfs/dbraw/zinc/86/30/12/554863012.db2.gz BRIKUOQNOPGUIR-UYRXBGFRSA-N 0 1 465.962 5.428 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009012027 554864573 /nfs/dbraw/zinc/86/45/73/554864573.db2.gz BWZKVERBVPCEAO-XQNSMLJCSA-N 0 1 488.012 5.964 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000009015830 554865937 /nfs/dbraw/zinc/86/59/37/554865937.db2.gz AVXRTGOAHPJHTN-HYARGMPZSA-N 0 1 489.915 5.469 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C ZINC000009144505 554936092 /nfs/dbraw/zinc/93/60/92/554936092.db2.gz XIPSTGKFMREXRW-FYJGNVAPSA-N 0 1 462.933 5.088 50 10 JKCAMN Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)cc1)CCCC2 ZINC000009153310 554942708 /nfs/dbraw/zinc/94/27/08/554942708.db2.gz CKPVXEMDKBDBGT-UHFFFAOYSA-N 0 1 484.688 5.223 50 10 JKCAMN O=C(NN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)c1cccs1 ZINC000009232361 555004650 /nfs/dbraw/zinc/00/46/50/555004650.db2.gz DKDDNXMUFRWNAS-XNTDXEJSSA-N 0 1 479.029 5.692 50 10 JKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(N2CCCCCC2)cc1 ZINC000009282666 555052384 /nfs/dbraw/zinc/05/23/84/555052384.db2.gz ZARCOIPCOWCSKL-NKFKGCMQSA-N 0 1 455.583 5.052 50 10 JKCAMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000009309200 555083615 /nfs/dbraw/zinc/08/36/15/555083615.db2.gz WORRRIKGMOTAEW-HZHRSRAPSA-N 0 1 465.578 5.138 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21 ZINC000009319520 555093885 /nfs/dbraw/zinc/09/38/85/555093885.db2.gz IUWWTJGSLPGPTR-AWEZNQCLSA-N 0 1 451.906 5.300 50 10 biogenic JKCAMN COc1ccccc1N1C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)NC1=S ZINC000009357705 555122518 /nfs/dbraw/zinc/12/25/18/555122518.db2.gz YTUSEXNLJYUZQI-CYVLTUHYSA-N 0 1 453.523 5.086 50 10 JKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009436087 555207833 /nfs/dbraw/zinc/20/78/33/555207833.db2.gz SMLCNCJWMHFSCV-SZXQPVLSSA-N 0 1 482.580 5.654 50 10 JKCAMN CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000009439082 555208908 /nfs/dbraw/zinc/20/89/08/555208908.db2.gz HZWKYWNFCLRVPE-ZVSYKFGMSA-N 0 1 490.987 5.773 50 10 JKCAMN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000010059395 555610002 /nfs/dbraw/zinc/61/00/02/555610002.db2.gz GXDKHBRWZOGIQI-HUTHGQBESA-N 0 1 469.832 6.450 50 10 JKCAMN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000010059392 555610010 /nfs/dbraw/zinc/61/00/10/555610010.db2.gz GXDKHBRWZOGIQI-XLFHBGCDSA-N 0 1 469.832 6.450 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013769858 555613993 /nfs/dbraw/zinc/61/39/93/555613993.db2.gz VNDRKTXYLQGOEN-WYMJOSIYSA-N 0 1 470.057 5.493 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013805209 555623034 /nfs/dbraw/zinc/62/30/34/555623034.db2.gz NGSZVKITUOELLM-SVFBPWRDSA-N 0 1 489.742 5.404 50 10 JKCAMN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)c1 ZINC000013809856 555624518 /nfs/dbraw/zinc/62/45/18/555624518.db2.gz FPSIBKJWMNXOND-HAHDFKILSA-N 0 1 487.581 5.251 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013810013 555624779 /nfs/dbraw/zinc/62/47/79/555624779.db2.gz VDIUBQKNWNBVBW-BOPFTXTBSA-N 0 1 498.314 5.289 50 10 JKCAMN Cc1[nH]c2ccccc2c1[C@H](c1cc(Br)cc(Br)c1O)N1CCOCC1 ZINC000020069237 555626358 /nfs/dbraw/zinc/62/63/58/555626358.db2.gz MHYGAXGUKZCGEG-IBGZPJMESA-N 0 1 480.200 5.129 50 10 JKCAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OCCC(C)C)cc3)cc12 ZINC000020114421 555652158 /nfs/dbraw/zinc/65/21/58/555652158.db2.gz DBBVJMZTGAFIDR-KPKJPENVSA-N 0 1 472.633 5.372 50 10 JKCAMN CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000011788037 555822283 /nfs/dbraw/zinc/82/22/83/555822283.db2.gz ZMTYNTYMAJPFJO-QHCPKHFHSA-N 0 1 488.962 5.512 50 10 JKCAMN COc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)c1 ZINC000020573637 555825338 /nfs/dbraw/zinc/82/53/38/555825338.db2.gz CFMIETLJQAXWGT-CQSZACIVSA-N 0 1 463.452 5.693 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000011869516 555845977 /nfs/dbraw/zinc/84/59/77/555845977.db2.gz IUJXAJIMXMCGJP-SFHVURJKSA-N 0 1 473.617 6.113 50 10 JKCAMN CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000011909244 555856302 /nfs/dbraw/zinc/85/63/02/555856302.db2.gz OAMQQRMWSDCULC-FTJBHMTQSA-N 0 1 497.060 5.070 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000023411413 556052201 /nfs/dbraw/zinc/05/22/01/556052201.db2.gz LYNNIYXJKLPMDJ-DEDYPNTBSA-N 0 1 486.435 6.044 50 10 JKCAMN O=C1N[C@H](c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21 ZINC000015947868 556086508 /nfs/dbraw/zinc/08/65/08/556086508.db2.gz OEAUWZQQDFOQEX-INIZCTEOSA-N 0 1 480.181 6.075 50 10 JKCAMN O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016044812 556125475 /nfs/dbraw/zinc/12/54/75/556125475.db2.gz JYMJUVCKRSRVPT-UHFFFAOYSA-N 0 1 469.277 5.073 50 10 JKCAMN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000017113549 556218297 /nfs/dbraw/zinc/21/82/97/556218297.db2.gz MAKVDYHMPRBPPI-MUUNZHRXSA-N 0 1 457.618 5.069 50 10 JKCAMN Oc1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c3ccccc3)CC1)OCO2 ZINC000025561807 556221469 /nfs/dbraw/zinc/22/14/69/556221469.db2.gz AVYRXVINWBKIRM-DEOSSOPVSA-N 0 1 456.464 5.051 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c(C)c1 ZINC000013067947 556264491 /nfs/dbraw/zinc/26/44/91/556264491.db2.gz XXHRBJFOKNXNLE-XDHOZWIPSA-N 0 1 474.498 5.071 50 10 JKCAMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000026965263 556267266 /nfs/dbraw/zinc/26/72/66/556267266.db2.gz YCFGHWUBUKRFJS-UHFFFAOYSA-N 0 1 461.282 5.017 50 10 JKCAMN CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCOc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370888 556347073 /nfs/dbraw/zinc/34/70/73/556347073.db2.gz FZQUOGKQOBDCFB-MHZLTWQESA-N 0 1 494.651 6.533 50 10 JKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(C(F)(F)F)oc32)CC1 ZINC000019791760 556371113 /nfs/dbraw/zinc/37/11/13/556371113.db2.gz HZGGVGQQBZKOLA-UHFFFAOYSA-N 0 1 476.495 5.064 50 10 biogenic JKCAMN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+](C)C4CCCCC4)c3oc2C(F)(F)F)cc1 ZINC000019792872 556371449 /nfs/dbraw/zinc/37/14/49/556371449.db2.gz ONBJBKDFPHSUQN-UHFFFAOYSA-N 0 1 461.480 6.383 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793011 556371768 /nfs/dbraw/zinc/37/17/68/556371768.db2.gz LTTJJPZWSGWROU-AWEZNQCLSA-N 0 1 481.898 6.728 50 10 JKCAMN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793083 556372348 /nfs/dbraw/zinc/37/23/48/556372348.db2.gz VVHVYMSZDXXETF-CQSZACIVSA-N 0 1 463.452 5.550 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21 ZINC000019793050 556372381 /nfs/dbraw/zinc/37/23/81/556372381.db2.gz RBAKZQZWJODBQM-UHFFFAOYSA-N 0 1 497.513 6.949 50 10 JKCAMN O=C1c2ccccc2C(=O)c2c3n[nH]c(-c4nc5ccccc5nc4-c4ccccc4)c3ccc21 ZINC000008694925 569593290 /nfs/dbraw/zinc/59/32/90/569593290.db2.gz KYEMKXBYYMMGNK-UHFFFAOYSA-N 0 1 452.473 5.616 50 10 JKCAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000008721671 569598633 /nfs/dbraw/zinc/59/86/33/569598633.db2.gz GPOCRIDWAYMSMX-XDHOZWIPSA-N 0 1 464.978 5.182 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000033774003 569634271 /nfs/dbraw/zinc/63/42/71/569634271.db2.gz SFDJBWINWOZHKA-LFVJCYFKSA-N 0 1 482.536 6.230 50 10 JKCAMN Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cc(Cl)ccc3O)CC2)c1 ZINC000034683936 569644847 /nfs/dbraw/zinc/64/48/47/569644847.db2.gz KCZMUFAFJNCVAS-UHFFFAOYSA-N 0 1 489.012 5.353 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000085875304 569715697 /nfs/dbraw/zinc/71/56/97/569715697.db2.gz NOAXWIRDPVDHMJ-UHFFFAOYSA-N 0 1 459.502 5.606 50 10 biogenic JKCAMN O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000085876442 569715879 /nfs/dbraw/zinc/71/58/79/569715879.db2.gz QTXMSEIRKBBPDL-UHFFFAOYSA-N 0 1 475.501 5.399 50 10 biogenic JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cc2c(c(Cl)c1)OCO2 ZINC000095477206 569724319 /nfs/dbraw/zinc/72/43/19/569724319.db2.gz CAHMXNRBHLDBGP-UHFFFAOYSA-N 0 1 453.838 5.078 50 10 JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(OCCc2ccccc2)cc1 ZINC000095477676 569724354 /nfs/dbraw/zinc/72/43/54/569724354.db2.gz FOBVTVJKVLRXTN-UHFFFAOYSA-N 0 1 495.535 6.317 50 10 JKCAMN COc1ccccc1-c1c2oc3c(ccc(O)c3O)c2nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000095476325 569724357 /nfs/dbraw/zinc/72/43/57/569724357.db2.gz APVNLGIRVXGZGD-UHFFFAOYSA-N 0 1 473.529 6.409 50 10 JKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccccc2Br)CC(=O)O1 ZINC000096115848 569734924 /nfs/dbraw/zinc/73/49/24/569734924.db2.gz IPCNHNKEHXRZQS-CQSZACIVSA-N 0 1 479.282 5.075 50 10 biogenic JKCAMN COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222884 569739805 /nfs/dbraw/zinc/73/98/05/569739805.db2.gz WPOLLYDSBJBVKJ-LJQANCHMSA-N 0 1 490.508 5.059 50 10 biogenic JKCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000036347395 569770988 /nfs/dbraw/zinc/77/09/88/569770988.db2.gz NKTSASJPVPZTIB-OAQYLSRUSA-N 0 1 461.440 5.125 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Br)ccc1O ZINC000038167780 569799720 /nfs/dbraw/zinc/79/97/20/569799720.db2.gz ZKKIAWLNFSLQAM-WDZFZDKYSA-N 0 1 472.147 5.133 50 10 JKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000102650243 569815069 /nfs/dbraw/zinc/81/50/69/569815069.db2.gz NREAASQEXRGIGD-NDEPHWFRSA-N 0 1 496.680 7.416 50 10 JKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)sc2c1CCCC2 ZINC000103884150 569838700 /nfs/dbraw/zinc/83/87/00/569838700.db2.gz QGTPVLMQOGOLEF-ATVHPVEESA-N 0 1 488.407 5.285 50 10 JKCAMN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000044827100 569839328 /nfs/dbraw/zinc/83/93/28/569839328.db2.gz CWZFEFLZPCZPFR-XMHGGMMESA-N 0 1 488.569 5.122 50 10 JKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000104145298 569841933 /nfs/dbraw/zinc/84/19/33/569841933.db2.gz IWDPBOKFJVLFSH-PMERELPUSA-N 0 1 479.624 6.788 50 10 JKCAMN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2C)c1=O ZINC000108386430 569859485 /nfs/dbraw/zinc/85/94/85/569859485.db2.gz JMGDGYWJORGQQQ-XKZIYDEJSA-N 0 1 492.421 5.895 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000137950939 569865587 /nfs/dbraw/zinc/86/55/87/569865587.db2.gz DWROTSDKPAMJAG-QKNQBKEWSA-N 0 1 489.742 5.404 50 10 JKCAMN COc1ccc(CCOc2ccc(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)cc2)cc1 ZINC000217608666 569880585 /nfs/dbraw/zinc/88/05/85/569880585.db2.gz NFIAAIIBOVITPK-UHFFFAOYSA-N 0 1 467.481 5.566 50 10 biogenic JKCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1OCc1ccc(C(C)C)cc1 ZINC000217658088 569880912 /nfs/dbraw/zinc/88/09/12/569880912.db2.gz UCDWFWHTCANRSS-UHFFFAOYSA-N 0 1 495.535 6.647 50 10 biogenic JKCAMN COc1ccc(CCOc2ccc(-c3c4c[nH]nc4nc4c5ccc(O)c(O)c5oc43)cc2OC)cc1 ZINC000217886421 569881969 /nfs/dbraw/zinc/88/19/69/569881969.db2.gz LTDWHHAOTHPDBE-UHFFFAOYSA-N 0 1 497.507 5.574 50 10 biogenic JKCAMN COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)ccc1O ZINC000227031265 570039712 /nfs/dbraw/zinc/03/97/12/570039712.db2.gz DKFADJYGARCBKX-RRPNLBNLSA-N 0 1 495.623 5.814 50 10 JKCAMN Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000001255845 194080387 /nfs/dbraw/zinc/08/03/87/194080387.db2.gz KIEVOYMDVHGVDR-HAHDFKILSA-N 0 1 483.524 5.432 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000001254849 194080434 /nfs/dbraw/zinc/08/04/34/194080434.db2.gz JYXUXLVTWMVBFQ-HZHRSRAPSA-N 0 1 467.550 5.370 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001315011 194083841 /nfs/dbraw/zinc/08/38/41/194083841.db2.gz LITRDJKHXBVCPP-PDGQHHTCSA-N 0 1 453.926 5.129 50 10 JKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000001407189 194116056 /nfs/dbraw/zinc/11/60/56/194116056.db2.gz KWXGHALMHIZWDT-XIEYBQDHSA-N 0 1 493.588 5.293 50 10 JKCAMN CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000001407210 194116156 /nfs/dbraw/zinc/11/61/56/194116156.db2.gz DQLLSIPMAIOTED-HAHDFKILSA-N 0 1 474.582 5.085 50 10 JKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001771004 194136765 /nfs/dbraw/zinc/13/67/65/194136765.db2.gz LCJUGQCGLJGJOO-UHFFFAOYSA-N 0 1 473.878 6.470 50 10 JKCAMN CCCC[N@@H+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001770989 194136781 /nfs/dbraw/zinc/13/67/81/194136781.db2.gz DBUOAILDUAYNGJ-UHFFFAOYSA-N 0 1 453.888 6.460 50 10 JKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc21 ZINC000001771738 194137071 /nfs/dbraw/zinc/13/70/71/194137071.db2.gz JAPMNYQSYRDIPC-UHFFFAOYSA-N 0 1 463.533 6.590 50 10 biogenic JKCAMN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+](C)Cc3ccccc3)c2oc1C(F)(F)F ZINC000001782087 194139244 /nfs/dbraw/zinc/13/92/44/194139244.db2.gz SJYNQLGOZIOHSG-UHFFFAOYSA-N 0 1 469.459 5.825 50 10 biogenic JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001747748 194133741 /nfs/dbraw/zinc/13/37/41/194133741.db2.gz ALGQGMJUWTZGSX-ZDUSSCGKSA-N 0 1 451.872 6.212 50 10 biogenic JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+](C)C4CCCCC4)c3oc2C(F)(F)F)cc1OC ZINC000001768216 194135599 /nfs/dbraw/zinc/13/55/99/194135599.db2.gz NHHHSAORTSNPCD-UHFFFAOYSA-N 0 1 491.506 5.966 50 10 biogenic JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001819094 194145925 /nfs/dbraw/zinc/14/59/25/194145925.db2.gz OSJNSCPOIRLYLY-YBFXNURJSA-N 0 1 484.408 6.381 50 10 JKCAMN CCCN1CCN(c2cc(Nc3ccc(OC)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741847 194359376 /nfs/dbraw/zinc/35/93/76/194359376.db2.gz FORUOGCHCTYSNG-UHFFFAOYSA-N 0 1 468.557 5.323 50 10 JKCAMN CC(C)CC(=O)O[C@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000004016727 194370013 /nfs/dbraw/zinc/37/00/13/194370013.db2.gz IVCDQEWYXBNGOX-YGQLNEIFSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009934878 195027641 /nfs/dbraw/zinc/02/76/41/195027641.db2.gz YVHAAOOPYWHJAT-BUVRLJJBSA-N 0 1 481.577 5.678 50 10 JKCAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCCC[C@H]4c4cccnc4)c3oc2=O)cc1OC ZINC000020762283 195218610 /nfs/dbraw/zinc/21/86/10/195218610.db2.gz PEUFLPNSKMVHRY-QHCPKHFHSA-N 0 1 472.541 5.305 50 10 biogenic JKCAMN CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(CC)cc4)C3=O)o2)ccc1Cl ZINC000033348835 520221279 /nfs/dbraw/zinc/22/12/79/520221279.db2.gz PPLVVUXLVMNWIO-RCCKNPSSSA-N 0 1 478.932 5.191 50 10 JKCAMN CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000002995295 520222488 /nfs/dbraw/zinc/22/24/88/520222488.db2.gz DQHQFMYQTHUKTM-CPNJWEJPSA-N 0 1 499.350 5.590 50 10 JKCAMN CCOc1cc([N+](=O)[O-])cc(CNc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000036187706 520788075 /nfs/dbraw/zinc/78/80/75/520788075.db2.gz IXSJPCKWTRJZKV-UHFFFAOYSA-N 0 1 474.300 6.426 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c1 ZINC000001203382 521381532 /nfs/dbraw/zinc/38/15/32/521381532.db2.gz DHRVJJKYYNQIFZ-LDADJPATSA-N 0 1 497.916 5.579 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000013552423 521950374 /nfs/dbraw/zinc/95/03/74/521950374.db2.gz FDZZWJCARAPECH-WQRHYEAKSA-N 0 1 469.324 5.042 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21 ZINC000004283337 523177627 /nfs/dbraw/zinc/17/76/27/523177627.db2.gz BFGIHWNLHQPMKH-MRXNPFEDSA-N 0 1 491.506 5.966 50 10 biogenic JKCAMN Cc1ccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)cc1 ZINC000033149439 524772548 /nfs/dbraw/zinc/77/25/48/524772548.db2.gz HOHBLQDFCOUHON-KGENOOAVSA-N 0 1 469.541 5.809 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033332398 526091360 /nfs/dbraw/zinc/09/13/60/526091360.db2.gz OSEZWXSLBJGJLR-JAIQZWGSSA-N 0 1 453.926 5.558 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002915769 526091700 /nfs/dbraw/zinc/09/17/00/526091700.db2.gz SQSXDDABZDBUKN-YBFXNURJSA-N 0 1 484.408 5.541 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001172628 526940107 /nfs/dbraw/zinc/94/01/07/526940107.db2.gz QCBOGXWOFQEXFO-GXDHUFHOSA-N 0 1 488.308 5.833 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001203729 526946205 /nfs/dbraw/zinc/94/62/05/526946205.db2.gz WWUQZBQMTXNXSF-WJDWOHSUSA-N 0 1 498.314 5.289 50 10 JKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000009009386 527045952 /nfs/dbraw/zinc/04/59/52/527045952.db2.gz ZARCOIPCOWCSKL-PTGBLXJZSA-N 0 1 455.583 5.463 50 10 JKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000012374277 527083432 /nfs/dbraw/zinc/08/34/32/527083432.db2.gz JJDCBRHZQBCPCB-MTJSOVHGSA-N 0 1 462.336 5.458 50 10 JKCAMN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S ZINC000000637456 553721619 /nfs/dbraw/zinc/72/16/19/553721619.db2.gz ZLCOIEQNSRYXEH-UDWIEESQSA-N 0 1 473.554 5.057 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000000640718 553723471 /nfs/dbraw/zinc/72/34/71/553723471.db2.gz ZHRVLUNNTMVUPV-UDWIEESQSA-N 0 1 483.351 5.433 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000000654507 553735080 /nfs/dbraw/zinc/73/50/80/553735080.db2.gz PPLYAMBRVPONNA-XDHOZWIPSA-N 0 1 486.435 5.122 50 10 JKCAMN CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000000706666 553763883 /nfs/dbraw/zinc/76/38/83/553763883.db2.gz HXTBQUXUAGGWDA-FOWTUZBSSA-N 0 1 471.365 6.217 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000843415 553793871 /nfs/dbraw/zinc/79/38/71/553793871.db2.gz WPFNXTBJPWGTAN-RGVLZGJSSA-N 0 1 480.933 5.327 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c1 ZINC000000859938 553801629 /nfs/dbraw/zinc/80/16/29/553801629.db2.gz QMFUTZQADJFLAD-BUVRLJJBSA-N 0 1 488.613 5.230 50 10 JKCAMN Cc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1C ZINC000002061604 554017781 /nfs/dbraw/zinc/01/77/81/554017781.db2.gz NAPSGDPSELYNLA-LDADJPATSA-N 0 1 464.631 5.435 50 10 JKCAMN CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(CC)cc4)C3=O)o2)ccc1Cl ZINC000002125575 554057993 /nfs/dbraw/zinc/05/79/93/554057993.db2.gz PPLVVUXLVMNWIO-QNGOZBTKSA-N 0 1 478.932 5.191 50 10 JKCAMN Cc1cc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Cl ZINC000002149649 554068693 /nfs/dbraw/zinc/06/86/93/554068693.db2.gz YZCQOEFFGVOIJI-RCCKNPSSSA-N 0 1 483.351 5.221 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002277347 554129410 /nfs/dbraw/zinc/12/94/10/554129410.db2.gz BKGKIRLLGUPIKQ-ZHZULCJRSA-N 0 1 471.969 6.015 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002277607 554129689 /nfs/dbraw/zinc/12/96/89/554129689.db2.gz ZVDZNJHYYOBQGP-HMAPJEAMSA-N 0 1 471.969 6.015 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000002282078 554131357 /nfs/dbraw/zinc/13/13/57/554131357.db2.gz NZNGOCCODWWFRG-XKZIYDEJSA-N 0 1 471.969 5.174 50 10 JKCAMN COc1ccccc1N1C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)NC1=S ZINC000002389164 554178802 /nfs/dbraw/zinc/17/88/02/554178802.db2.gz YTUSEXNLJYUZQI-XDJHFCHBSA-N 0 1 453.523 5.515 50 10 JKCAMN Cc1cc(C)c(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000002450352 554217507 /nfs/dbraw/zinc/21/75/07/554217507.db2.gz DTUCAIMBDFWEFB-BUVRLJJBSA-N 0 1 479.605 6.286 50 10 JKCAMN COc1ccc(N2CCN(c3c(C(=O)c4ccc(C)cc4)cnc4cc(OC)c(OC)cc43)CC2)cc1 ZINC000002694464 554291844 /nfs/dbraw/zinc/29/18/44/554291844.db2.gz AQRLEORTJVRULS-UHFFFAOYSA-N 0 1 497.595 5.127 50 10 JKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC ZINC000002811582 554360580 /nfs/dbraw/zinc/36/05/80/554360580.db2.gz QQVCOEKABMSSSK-LICLKQGHSA-N 0 1 458.967 5.426 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1 ZINC000002873476 554396831 /nfs/dbraw/zinc/39/68/31/554396831.db2.gz MEOSZMGCPIDJMU-DEDYPNTBSA-N 0 1 477.498 5.234 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006147912 554511008 /nfs/dbraw/zinc/51/10/08/554511008.db2.gz VEPFKZJYJGNFHO-MRXNPFEDSA-N 0 1 465.899 6.602 50 10 biogenic JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000006147928 554511127 /nfs/dbraw/zinc/51/11/27/554511127.db2.gz DQHDGEURVWNDAG-AWEZNQCLSA-N 0 1 465.899 6.602 50 10 JKCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 ZINC000008496283 554600891 /nfs/dbraw/zinc/60/08/91/554600891.db2.gz IWANSPYEHJHTLX-STZFKDTASA-N 0 1 478.932 5.189 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc32)C1 ZINC000008788925 554680914 /nfs/dbraw/zinc/68/09/14/554680914.db2.gz YLIOVEBMEADVCA-CQSZACIVSA-N 0 1 451.906 5.157 50 10 biogenic JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc21 ZINC000008789574 554682124 /nfs/dbraw/zinc/68/21/24/554682124.db2.gz KLVGKBLGJRUBIL-CQSZACIVSA-N 0 1 496.357 5.409 50 10 biogenic JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008816278 554698118 /nfs/dbraw/zinc/69/81/18/554698118.db2.gz XCCJBEPQNULJBQ-UVTDQMKNSA-N 0 1 461.301 5.224 50 10 JKCAMN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000008914545 554807659 /nfs/dbraw/zinc/80/76/59/554807659.db2.gz KUYXJDDDVSUKHM-PJVCEZMGSA-N 0 1 456.542 5.119 50 10 JKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000008919692 554816474 /nfs/dbraw/zinc/81/64/74/554816474.db2.gz FYBLDXNUJIOTPI-MLCYQJTMSA-N 0 1 483.859 6.840 50 10 JKCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000008927292 554824787 /nfs/dbraw/zinc/82/47/87/554824787.db2.gz UGKWIQJWLAWJJE-BOPFTXTBSA-N 0 1 483.889 5.188 50 10 JKCAMN CC[C@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000008952226 554835780 /nfs/dbraw/zinc/83/57/80/554835780.db2.gz TYEMATUKFKXUNU-VHVXKRGMSA-N 0 1 456.542 5.119 50 10 JKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 ZINC000009046358 554870569 /nfs/dbraw/zinc/87/05/69/554870569.db2.gz JSCAQLWPWBMXEL-SGWCAAJKSA-N 0 1 482.580 5.654 50 10 JKCAMN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000009065865 554885499 /nfs/dbraw/zinc/88/54/99/554885499.db2.gz KUYXJDDDVSUKHM-HOIQBIFOSA-N 0 1 456.542 5.119 50 10 JKCAMN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000009113108 554900468 /nfs/dbraw/zinc/90/04/68/554900468.db2.gz HFAVZXVXUTUFSI-AYBPGSHHSA-N 0 1 486.568 5.128 50 10 JKCAMN O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)c1cccs1 ZINC000009235915 555010108 /nfs/dbraw/zinc/01/01/08/555010108.db2.gz IZWQWPKJSZKDRT-MHWRWJLKSA-N 0 1 480.514 5.573 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000009311129 555087608 /nfs/dbraw/zinc/08/76/08/555087608.db2.gz GONPOPZQDVGEFS-ONUIUJJFSA-N 0 1 485.653 5.885 50 10 JKCAMN COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)ccc1O ZINC000009328636 555099312 /nfs/dbraw/zinc/09/93/12/555099312.db2.gz DKFADJYGARCBKX-KAYWLYCHSA-N 0 1 495.623 5.814 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4[nH]c3-c3ccccc3)C(=O)NC2=S)cc1C ZINC000009331662 555101401 /nfs/dbraw/zinc/10/14/01/555101401.db2.gz QNTIMHVZHSLTRP-PXLXIMEGSA-N 0 1 451.551 5.283 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009463981 555234977 /nfs/dbraw/zinc/23/49/77/555234977.db2.gz GKVWZLRYAXOQCJ-XKZIYDEJSA-N 0 1 463.990 5.196 50 10 JKCAMN COc1ccc(N2CCN(CCNc3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)cc1 ZINC000009527108 555320781 /nfs/dbraw/zinc/32/07/81/555320781.db2.gz XIJLTFLBHVDUFW-UHFFFAOYSA-N 0 1 474.008 5.193 50 10 JKCAMN Cc1cccc(C)c1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013688272 555581455 /nfs/dbraw/zinc/58/14/55/555581455.db2.gz LHNNPQUGPUSPAM-HAHDFKILSA-N 0 1 483.524 5.432 50 10 JKCAMN Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013689396 555582941 /nfs/dbraw/zinc/58/29/41/555582941.db2.gz KGCOPMRRBHHFBJ-JCMHNJIXSA-N 0 1 469.497 5.124 50 10 JKCAMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000010059722 555610655 /nfs/dbraw/zinc/61/06/55/555610655.db2.gz XMJIPLQOKSATGD-UHFFFAOYSA-N 0 1 450.741 5.134 50 10 JKCAMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c2nsnc2ccc1C ZINC000020036801 555611241 /nfs/dbraw/zinc/61/12/41/555611241.db2.gz LEKMUUWPEDISSJ-ZROIWOOFSA-N 0 1 456.369 5.098 50 10 JKCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000013810422 555625530 /nfs/dbraw/zinc/62/55/30/555625530.db2.gz HZWKYWNFCLRVPE-ZZMKYJANSA-N 0 1 490.987 5.773 50 10 JKCAMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000013880131 555638882 /nfs/dbraw/zinc/63/88/82/555638882.db2.gz REWUZDIRQMLXGX-HYARGMPZSA-N 0 1 487.581 5.169 50 10 JKCAMN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000013940557 555651584 /nfs/dbraw/zinc/65/15/84/555651584.db2.gz HFAVZXVXUTUFSI-CTNNYUBMSA-N 0 1 486.568 5.128 50 10 JKCAMN COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)c(C)c1 ZINC000013942265 555653240 /nfs/dbraw/zinc/65/32/40/555653240.db2.gz IWNIHMIPYZJVBX-FYJGNVAPSA-N 0 1 474.538 5.330 50 10 JKCAMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000020192366 555693366 /nfs/dbraw/zinc/69/33/66/555693366.db2.gz VNYACUMNKIHHGT-IWIPYMOSSA-N 0 1 457.599 5.945 50 10 JKCAMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C1=O ZINC000020324462 555772261 /nfs/dbraw/zinc/77/22/61/555772261.db2.gz CNSGUBRUXMKXFL-HYTQYMIGSA-N 0 1 466.946 6.289 50 10 JKCAMN Cc1cc(C(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000014357279 555796627 /nfs/dbraw/zinc/79/66/27/555796627.db2.gz DOJCJBNHBFNYCE-MRXNPFEDSA-N 0 1 455.530 6.244 50 10 JKCAMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000011786839 555820164 /nfs/dbraw/zinc/82/01/64/555820164.db2.gz PYOUCKCHTQLBTA-HSZRJFAPSA-N 0 1 499.080 5.336 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000015276547 555892062 /nfs/dbraw/zinc/89/20/62/555892062.db2.gz IBWQMCLALIBJNS-RGVLZGJSSA-N 0 1 469.324 5.042 50 10 JKCAMN COc1ccc(-n2c(CCC(=O)N3CCN(CC(C)C)CC3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023436727 556058303 /nfs/dbraw/zinc/05/83/03/556058303.db2.gz CLVFWGRSLPCJOS-UHFFFAOYSA-N 0 1 480.052 5.539 50 10 JKCAMN Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1 ZINC000023451809 556066279 /nfs/dbraw/zinc/06/62/79/556066279.db2.gz LLZXAGLLUHUBRI-UHFFFAOYSA-N 0 1 450.464 5.317 50 10 JKCAMN Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)cc1 ZINC000023454070 556067126 /nfs/dbraw/zinc/06/71/26/556067126.db2.gz ZARQRXFPTRWFOK-UHFFFAOYSA-N 0 1 465.601 5.289 50 10 JKCAMN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015947458 556085567 /nfs/dbraw/zinc/08/55/67/556085567.db2.gz CKOTZNITJSGSJB-KWKYVRJSSA-N 0 1 472.202 5.532 50 10 JKCAMN O=C1N[C@@H](c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21 ZINC000015947866 556086451 /nfs/dbraw/zinc/08/64/51/556086451.db2.gz OEAUWZQQDFOQEX-MRXNPFEDSA-N 0 1 480.181 6.075 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCc3ccccc3C2)cc1 ZINC000016914343 556178309 /nfs/dbraw/zinc/17/83/09/556178309.db2.gz FWJUKSJROFUWJW-VWLOTQADSA-N 0 1 467.535 5.301 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCc3ccccc3C2)cc1 ZINC000016914479 556178528 /nfs/dbraw/zinc/17/85/28/556178528.db2.gz JMNGLPHPUWEGSU-RUZDIDTESA-N 0 1 467.535 5.301 50 10 JKCAMN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C ZINC000017145805 556225886 /nfs/dbraw/zinc/22/58/86/556225886.db2.gz KJFXWSSVZJNVHQ-XSFVSMFZSA-N 0 1 461.562 5.776 50 10 JKCAMN COc1ccc(C)cc1NC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2c2cccs2)c1[O-] ZINC000013061504 556256903 /nfs/dbraw/zinc/25/69/03/556256903.db2.gz HNEZKVXFRRCPBN-XMMPIXPASA-N 0 1 472.610 6.513 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000018190733 556300753 /nfs/dbraw/zinc/30/07/53/556300753.db2.gz VEGJQRZJMSUPTF-IMRQLAEWSA-N 0 1 481.596 5.804 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793013 556371826 /nfs/dbraw/zinc/37/18/26/556371826.db2.gz YQWZTCGFLUUJHC-CYBMUJFWSA-N 0 1 467.871 6.338 50 10 JKCAMN CCCC[N@@H+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793020 556371980 /nfs/dbraw/zinc/37/19/80/556371980.db2.gz UIIFGGHVIXSNQL-UHFFFAOYSA-N 0 1 469.887 6.585 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019793048 556372318 /nfs/dbraw/zinc/37/23/18/556372318.db2.gz JXTNAWIJBBZHHU-UHFFFAOYSA-N 0 1 483.486 6.504 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)c1 ZINC000019793123 556372572 /nfs/dbraw/zinc/37/25/72/556372572.db2.gz LOOZGJCZWCZSAN-MRXNPFEDSA-N 0 1 461.480 6.301 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)c1 ZINC000019793124 556372642 /nfs/dbraw/zinc/37/26/42/556372642.db2.gz LOOZGJCZWCZSAN-INIZCTEOSA-N 0 1 461.480 6.301 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@H+](C)C4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000019793129 556372728 /nfs/dbraw/zinc/37/27/28/556372728.db2.gz SATHWKXEJJAURU-UHFFFAOYSA-N 0 1 475.507 6.691 50 10 JKCAMN Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C=C1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000032099453 556415926 /nfs/dbraw/zinc/41/59/26/556415926.db2.gz KTKFPQCZSCYPMO-NPBUNYCVSA-N 0 1 494.395 5.412 50 10 JKCAMN CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000032099359 556416037 /nfs/dbraw/zinc/41/60/37/556416037.db2.gz ZIWXDVFMWHMRDT-PDGQHHTCSA-N 0 1 485.323 5.200 50 10 JKCAMN COc1cc2c(cc1OC)C[N@H+](Cc1c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc31)CC2 ZINC000032855935 556512322 /nfs/dbraw/zinc/51/23/22/556512322.db2.gz APPWQTKTUHZAEA-UHFFFAOYSA-N 0 1 457.526 5.050 50 10 JKCAMN COc1cc2c(cc1OC)C[N@@H+](Cc1c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc31)CC2 ZINC000032855935 556512324 /nfs/dbraw/zinc/51/23/24/556512324.db2.gz APPWQTKTUHZAEA-UHFFFAOYSA-N 0 1 457.526 5.050 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008438770 569589734 /nfs/dbraw/zinc/58/97/34/569589734.db2.gz LVVOAIZXVYXADD-XKZIYDEJSA-N 0 1 462.933 5.006 50 10 JKCAMN COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)c2=O)cc1 ZINC000008441876 569590411 /nfs/dbraw/zinc/59/04/11/569590411.db2.gz FKKYOAOGEUZDPO-UHFFFAOYSA-N 0 1 459.498 5.018 50 10 biogenic JKCAMN O=C(Cc1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000034683579 569644478 /nfs/dbraw/zinc/64/44/78/569644478.db2.gz CIBUIKDQZSFELI-UHFFFAOYSA-N 0 1 452.957 5.425 50 10 JKCAMN CCc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683819 569644606 /nfs/dbraw/zinc/64/46/06/569644606.db2.gz JHRONFLJDHWVHK-UHFFFAOYSA-N 0 1 477.674 5.175 50 10 JKCAMN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000034683917 569644804 /nfs/dbraw/zinc/64/48/04/569644804.db2.gz GOCVLXOYXKCZRB-UHFFFAOYSA-N 0 1 489.012 5.353 50 10 JKCAMN CC(C)Cn1c2ccccc2cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)c1=O ZINC000085875190 569715694 /nfs/dbraw/zinc/71/56/94/569715694.db2.gz PQFQQMXXGIKGPM-UHFFFAOYSA-N 0 1 498.539 5.254 50 10 biogenic JKCAMN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000085878263 569715999 /nfs/dbraw/zinc/71/59/99/569715999.db2.gz FEQAAELNJONUTG-UHFFFAOYSA-N 0 1 457.954 5.070 50 10 biogenic JKCAMN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000085878263 569716000 /nfs/dbraw/zinc/71/60/00/569716000.db2.gz FEQAAELNJONUTG-UHFFFAOYSA-N 0 1 457.954 5.070 50 10 biogenic JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000095472987 569723691 /nfs/dbraw/zinc/72/36/91/569723691.db2.gz JFPLILSIDUQNEP-UHFFFAOYSA-N 0 1 461.474 5.247 50 10 JKCAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C ZINC000096114779 569733911 /nfs/dbraw/zinc/73/39/11/569733911.db2.gz FTGKRIGUKLIEHI-QGZVFWFLSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C ZINC000096115078 569734101 /nfs/dbraw/zinc/73/41/01/569734101.db2.gz FUGUXEPADIKDCN-KRWDZBQOSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC(C)C ZINC000096115078 569734103 /nfs/dbraw/zinc/73/41/03/569734103.db2.gz FUGUXEPADIKDCN-KRWDZBQOSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c2ccccc12 ZINC000096115519 569734483 /nfs/dbraw/zinc/73/44/83/569734483.db2.gz KGMCBRZIYLYNOT-SFHVURJKSA-N 0 1 496.471 5.180 50 10 biogenic JKCAMN CC[C@H](C)C(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000036046321 569755683 /nfs/dbraw/zinc/75/56/83/569755683.db2.gz DTYTUVZVFGDVES-IJPAYHPWSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN CC[C@H](C)C(=O)O[C@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000036046323 569755758 /nfs/dbraw/zinc/75/57/58/569755758.db2.gz DTYTUVZVFGDVES-UWGQEOPMSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN Cc1cccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1C ZINC000038163370 569799778 /nfs/dbraw/zinc/79/97/78/569799778.db2.gz NAPSGDPSELYNLA-PDGQHHTCSA-N 0 1 464.631 6.276 50 10 JKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000102650246 569815101 /nfs/dbraw/zinc/81/51/01/569815101.db2.gz NREAASQEXRGIGD-MUUNZHRXSA-N 0 1 496.680 7.416 50 10 JKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000103877853 569838751 /nfs/dbraw/zinc/83/87/51/569838751.db2.gz QDUCXBKVUGVUNR-UKTHLTGXSA-N 0 1 469.564 5.584 50 10 JKCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1OCCc1ccccc1 ZINC000218341793 569883309 /nfs/dbraw/zinc/88/33/09/569883309.db2.gz ABGYELDQUXGGIL-UHFFFAOYSA-N 0 1 467.481 5.566 50 10 JKCAMN COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)ccc1O ZINC000227031253 570039748 /nfs/dbraw/zinc/03/97/48/570039748.db2.gz DKFADJYGARCBKX-SVBPBHIXSA-N 0 1 495.623 5.814 50 10 JKCAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1 ZINC000230041143 570043882 /nfs/dbraw/zinc/04/38/82/570043882.db2.gz MKHNEAQWPHFKIP-QZNHQXDQSA-N 0 1 499.350 5.149 50 10 JKCAMN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O ZINC000245327713 570065344 /nfs/dbraw/zinc/06/53/44/570065344.db2.gz PROHNLRRZLTDRT-MQSCRBSSSA-N 0 1 499.350 5.149 50 10 JKCAMN Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3Cc3ccccc3O)ccc2s1 ZINC000299796802 570177328 /nfs/dbraw/zinc/17/73/28/570177328.db2.gz SDBOBLFWJTTZBH-GGAORHGYSA-N 0 1 493.629 5.823 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001128129 194037496 /nfs/dbraw/zinc/03/74/96/194037496.db2.gz ZAWSMUHHJYHMBF-DJKKODMXSA-N 0 1 479.945 5.148 50 10 JKCAMN Cc1ccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000001140345 194044461 /nfs/dbraw/zinc/04/44/61/194044461.db2.gz DTGWGPWVNAIYEY-OEAKJJBVSA-N 0 1 469.541 5.809 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001240098 194078849 /nfs/dbraw/zinc/07/88/49/194078849.db2.gz LBKKALYYOIGFOO-XSFVSMFZSA-N 0 1 455.514 5.500 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000001240462 194078858 /nfs/dbraw/zinc/07/88/58/194078858.db2.gz OGFJVZRJSFMDMW-GZTJUZNOSA-N 0 1 457.338 6.233 50 10 JKCAMN CC[N@@H+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001771001 194136760 /nfs/dbraw/zinc/13/67/60/194136760.db2.gz OVHZLCNZAYAVFH-UHFFFAOYSA-N 0 1 479.926 6.992 50 10 biogenic JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000001747799 194133901 /nfs/dbraw/zinc/13/39/01/194133901.db2.gz DTMVIPQDRBCLTI-CYBMUJFWSA-N 0 1 451.872 6.212 50 10 biogenic JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000001913290 194155271 /nfs/dbraw/zinc/15/52/71/194155271.db2.gz PWJKSSSUMXQEQM-UHFFFAOYSA-N 0 1 453.460 6.207 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001913284 194155336 /nfs/dbraw/zinc/15/53/36/194155336.db2.gz OSODYEAZJIFQRW-UHFFFAOYSA-N 0 1 487.905 6.860 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002936152 194174062 /nfs/dbraw/zinc/17/40/62/194174062.db2.gz KOTGBDYCXPNOBQ-GZTJUZNOSA-N 0 1 498.314 5.289 50 10 JKCAMN CC1(C)Cc2oc3ccc(NS(=O)(=O)c4cccc5c4C(=O)c4ccccc4C5=O)cc3c2C(=O)C1 ZINC000003878239 194366407 /nfs/dbraw/zinc/36/64/07/194366407.db2.gz ISRPLTUDABNUSK-UHFFFAOYSA-N 0 1 499.544 5.164 50 10 JKCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000004083453 194376212 /nfs/dbraw/zinc/37/62/12/194376212.db2.gz ONRYDAJABJERNQ-LFVJCYFKSA-N 0 1 499.954 5.876 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc21 ZINC000004289747 194387265 /nfs/dbraw/zinc/38/72/65/194387265.db2.gz OKLUCGPABODFKT-MRXNPFEDSA-N 0 1 467.487 6.712 50 10 JKCAMN COc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000009933816 195025685 /nfs/dbraw/zinc/02/56/85/195025685.db2.gz TWLUTQMZRBJCEV-FOWTUZBSSA-N 0 1 470.959 5.764 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009934879 195027652 /nfs/dbraw/zinc/02/76/52/195027652.db2.gz DJCGTIHUFOKNBQ-BUVRLJJBSA-N 0 1 481.577 5.678 50 10 JKCAMN COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000012757632 195109053 /nfs/dbraw/zinc/10/90/53/195109053.db2.gz PKTGFRYDOPAGQB-UHFFFAOYSA-N 0 1 450.966 5.572 50 10 JKCAMN COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)cc(Br)c3O)C2)cc1 ZINC000020764462 195220202 /nfs/dbraw/zinc/22/02/02/195220202.db2.gz JCCNFTQKAGJJIL-AZUAARDMSA-N 0 1 482.216 5.432 50 10 JKCAMN CCCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccccc1O ZINC000058251426 195375155 /nfs/dbraw/zinc/37/51/55/195375155.db2.gz KIDACDNTYIXUTJ-UHFFFAOYSA-N 0 1 470.205 5.076 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000059194103 195394174 /nfs/dbraw/zinc/39/41/74/195394174.db2.gz TTWIAZKMXKVYJM-ODLFYWEKSA-N 0 1 469.324 5.042 50 10 JKCAMN CCCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000022419207 520887356 /nfs/dbraw/zinc/88/73/56/520887356.db2.gz NXFQMCVXPUIIKT-LJAQVGFWSA-N 0 1 486.660 5.853 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000002302414 521033917 /nfs/dbraw/zinc/03/39/17/521033917.db2.gz TXYSPMMLYFXWEO-SFQUDFHCSA-N 0 1 497.916 5.579 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1 ZINC000001203604 521382683 /nfs/dbraw/zinc/38/26/83/521382683.db2.gz HXDDBSBIXIVUEG-LDADJPATSA-N 0 1 497.916 5.579 50 10 JKCAMN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 ZINC000016266513 521459587 /nfs/dbraw/zinc/45/95/87/521459587.db2.gz HKRNMYQFGXXXJK-CPNJWEJPSA-N 0 1 478.888 5.279 50 10 JKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033332865 521945111 /nfs/dbraw/zinc/94/51/11/521945111.db2.gz LACCXZXZCISONE-WOJGMQOQSA-N 0 1 496.947 5.738 50 10 JKCAMN COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000033333424 522637886 /nfs/dbraw/zinc/63/78/86/522637886.db2.gz GRDBUNLKDCADJA-QRVIBDJDSA-N 0 1 469.566 5.195 50 10 JKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 ZINC000033149481 523408861 /nfs/dbraw/zinc/40/88/61/523408861.db2.gz VJAMQFRXKVBVJF-RVDMUPIBSA-N 0 1 457.338 5.827 50 10 JKCAMN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000001147028 524062206 /nfs/dbraw/zinc/06/22/06/524062206.db2.gz HDEHUPZQRFLIMX-HYARGMPZSA-N 0 1 461.562 5.776 50 10 JKCAMN Cc1cc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Cl ZINC000033572089 525371906 /nfs/dbraw/zinc/37/19/06/525371906.db2.gz YZCQOEFFGVOIJI-QNGOZBTKSA-N 0 1 483.351 5.221 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000001150523 526940507 /nfs/dbraw/zinc/94/05/07/526940507.db2.gz MURYFVBWENEDTA-XNTDXEJSSA-N 0 1 471.853 5.319 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001205470 526944471 /nfs/dbraw/zinc/94/44/71/526944471.db2.gz SVMDQAFKIHAHFV-BOPFTXTBSA-N 0 1 498.314 5.289 50 10 JKCAMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1Cc1ccccc1 ZINC000015011473 526944859 /nfs/dbraw/zinc/94/48/59/526944859.db2.gz ZBQFVRZXQSTNQR-VGOFMYFVSA-N 0 1 485.222 5.319 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001206778 526946681 /nfs/dbraw/zinc/94/66/81/526946681.db2.gz KMVXXOHLFUWTHN-WJDWOHSUSA-N 0 1 498.314 5.289 50 10 JKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000033336070 526947458 /nfs/dbraw/zinc/94/74/58/526947458.db2.gz YGOHLBPJXLJAON-UQQQWYQISA-N 0 1 487.584 6.514 50 10 JKCAMN O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000033305850 527045660 /nfs/dbraw/zinc/04/56/60/527045660.db2.gz KYARCGBHCLQTBP-HMMYKYKNSA-N 0 1 461.493 5.104 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000000661077 553739496 /nfs/dbraw/zinc/73/94/96/553739496.db2.gz RFJHDQHKBOYYMP-SFQUDFHCSA-N 0 1 457.001 5.384 50 10 JKCAMN CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000000715267 553768578 /nfs/dbraw/zinc/76/85/78/553768578.db2.gz OPCIKTKEGKEGAA-AREMUKBSSA-N 0 1 455.558 5.084 50 10 JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1OC ZINC000000956148 553883802 /nfs/dbraw/zinc/88/38/02/553883802.db2.gz GPNIZFSLSCLHTB-AWEZNQCLSA-N 0 1 477.479 5.434 50 10 JKCAMN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000001916175 554003813 /nfs/dbraw/zinc/00/38/13/554003813.db2.gz IMQKUZICJOHNLS-CYBMUJFWSA-N 0 1 495.925 6.812 50 10 JKCAMN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000001916163 554003832 /nfs/dbraw/zinc/00/38/32/554003832.db2.gz ZSSIOWGFBMMBMA-HNNXBMFYSA-N 0 1 495.925 6.954 50 10 JKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc21 ZINC000002135809 554062101 /nfs/dbraw/zinc/06/21/01/554062101.db2.gz HOAADLUXPWZKTQ-UHFFFAOYSA-N 0 1 484.346 5.266 50 10 biogenic JKCAMN CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000002156399 554072533 /nfs/dbraw/zinc/07/25/33/554072533.db2.gz NDIDJYXJNALHID-XSFVSMFZSA-N 0 1 451.935 5.201 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002358969 554164836 /nfs/dbraw/zinc/16/48/36/554164836.db2.gz FEFDUCJCJUVZHE-NBVRZTHBSA-N 0 1 457.942 6.160 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002397190 554183606 /nfs/dbraw/zinc/18/36/06/554183606.db2.gz AWAZCGHNACTTLU-IWIPYMOSSA-N 0 1 457.599 6.198 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000002399087 554184680 /nfs/dbraw/zinc/18/46/80/554184680.db2.gz WKJPCAZMIRZLGY-PXLXIMEGSA-N 0 1 488.012 5.883 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002420927 554198284 /nfs/dbraw/zinc/19/82/84/554198284.db2.gz VNDRKTXYLQGOEN-ZRJLEYOISA-N 0 1 470.057 5.493 50 10 JKCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002813996 554361853 /nfs/dbraw/zinc/36/18/53/554361853.db2.gz KOAGWAFGZQMLHD-LICLKQGHSA-N 0 1 488.308 5.833 50 10 JKCAMN CN(C)c1ccc(-c2nc3c([nH]2)c2cc(I)ccc2c2ccccc32)cc1 ZINC000006393874 554533138 /nfs/dbraw/zinc/53/31/38/554533138.db2.gz NCZCMYFBLRYWME-UHFFFAOYSA-N 0 1 463.322 6.207 50 10 JKCAMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000008741414 554643721 /nfs/dbraw/zinc/64/37/21/554643721.db2.gz STFBUSVLPOMWNS-HZHRSRAPSA-N 0 1 487.581 5.115 50 10 JKCAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)c1 ZINC000008871912 554767838 /nfs/dbraw/zinc/76/78/38/554767838.db2.gz YYMPGROLZMJWSX-UHFFFAOYSA-N 0 1 486.505 5.780 50 10 JKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000008919687 554816547 /nfs/dbraw/zinc/81/65/47/554816547.db2.gz FYBLDXNUJIOTPI-YPMLDQLKSA-N 0 1 483.859 6.840 50 10 JKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000008919885 554816724 /nfs/dbraw/zinc/81/67/24/554816724.db2.gz IVWULXATDPVHCT-XTZNXHDOSA-N 0 1 483.859 6.840 50 10 JKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000008997651 554859153 /nfs/dbraw/zinc/85/91/53/554859153.db2.gz SANIQQFTPAHRDJ-HZHRSRAPSA-N 0 1 487.581 5.251 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000009089692 554890459 /nfs/dbraw/zinc/89/04/59/554890459.db2.gz MGHXCUDKQXGFSY-KEBDBYFISA-N 0 1 494.334 5.456 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009111528 554899080 /nfs/dbraw/zinc/89/90/80/554899080.db2.gz KAPZRWCMEXCNBE-HZHRSRAPSA-N 0 1 488.012 5.124 50 10 JKCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000009113242 554900460 /nfs/dbraw/zinc/90/04/60/554900460.db2.gz GNGZKGMLDBTATL-VXCWRXKNSA-N 0 1 486.568 5.128 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009282631 555052396 /nfs/dbraw/zinc/05/23/96/555052396.db2.gz VNDRKTXYLQGOEN-IEUSDUHPSA-N 0 1 470.057 5.493 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1 ZINC000009295815 555072082 /nfs/dbraw/zinc/07/20/82/555072082.db2.gz HTSIAYXJPZYSEK-LDADJPATSA-N 0 1 481.371 5.157 50 10 JKCAMN C[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000009300637 555074018 /nfs/dbraw/zinc/07/40/18/555074018.db2.gz QGPIZOQEGOUCIZ-VQTJNVASSA-N 0 1 476.617 5.620 50 10 biogenic JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2C)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000009300637 555074020 /nfs/dbraw/zinc/07/40/20/555074020.db2.gz QGPIZOQEGOUCIZ-VQTJNVASSA-N 0 1 476.617 5.620 50 10 biogenic JKCAMN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2C)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000009300637 555074024 /nfs/dbraw/zinc/07/40/24/555074024.db2.gz QGPIZOQEGOUCIZ-VQTJNVASSA-N 0 1 476.617 5.620 50 10 biogenic JKCAMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000009307124 555079789 /nfs/dbraw/zinc/07/97/89/555079789.db2.gz YOZIMMQNEQIEMH-HZHRSRAPSA-N 0 1 465.578 5.138 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000009311429 555087790 /nfs/dbraw/zinc/08/77/90/555087790.db2.gz PPLYAMBRVPONNA-UNOMPAQXSA-N 0 1 486.435 5.122 50 10 JKCAMN CCc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009311778 555088342 /nfs/dbraw/zinc/08/83/42/555088342.db2.gz IWMXFGLZUUADSO-XYGWBWBKSA-N 0 1 479.605 5.392 50 10 biogenic JKCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000009680440 555408236 /nfs/dbraw/zinc/40/82/36/555408236.db2.gz NICPBRIZSIISEM-HYARGMPZSA-N 0 1 453.473 5.331 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000009805600 555517827 /nfs/dbraw/zinc/51/78/27/555517827.db2.gz TZJJUQNEEKXQKR-UDWIEESQSA-N 0 1 483.351 5.433 50 10 JKCAMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000009805842 555518038 /nfs/dbraw/zinc/51/80/38/555518038.db2.gz OSMCVHAXQFEUDY-OEAKJJBVSA-N 0 1 483.568 5.277 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1C1CCCCC1 ZINC000009849782 555552036 /nfs/dbraw/zinc/55/20/36/555552036.db2.gz QKJHLDARGWMSFG-WOJGMQOQSA-N 0 1 459.974 5.234 50 10 JKCAMN Cc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000013689549 555583212 /nfs/dbraw/zinc/58/32/12/555583212.db2.gz MREKUPYVDVYYRL-IWIPYMOSSA-N 0 1 483.524 5.432 50 10 JKCAMN O=C(Nc1ccc(Nc2cc([N+](=O)[O-])ccc2O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000020027312 555603538 /nfs/dbraw/zinc/60/35/38/555603538.db2.gz KMXGXKBYTYRGHG-UHFFFAOYSA-N 0 1 479.448 5.072 50 10 JKCAMN Cc1[nH]c2ccccc2c1[C@@H](c1cc(Br)cc(Br)c1O)N1CCOCC1 ZINC000020069239 555626318 /nfs/dbraw/zinc/62/63/18/555626318.db2.gz MHYGAXGUKZCGEG-LJQANCHMSA-N 0 1 480.200 5.129 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013810889 555626494 /nfs/dbraw/zinc/62/64/94/555626494.db2.gz DWROTSDKPAMJAG-SVFBPWRDSA-N 0 1 489.742 5.404 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000013893728 555641503 /nfs/dbraw/zinc/64/15/03/555641503.db2.gz JUPXGPOKQXXZME-BUVRLJJBSA-N 0 1 498.966 5.932 50 10 JKCAMN COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013943659 555654760 /nfs/dbraw/zinc/65/47/60/555654760.db2.gz DHRVRCUAVJXZBR-XLNRJJMWSA-N 0 1 487.556 5.364 50 10 JKCAMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)NC2=S)cc1 ZINC000020192383 555693217 /nfs/dbraw/zinc/69/32/17/555693217.db2.gz AYGXALWKXGIUSR-HAHDFKILSA-N 0 1 487.581 5.115 50 10 JKCAMN CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238472 555732244 /nfs/dbraw/zinc/73/22/44/555732244.db2.gz UAEKVZIWBMOOLX-HYTQYMIGSA-N 0 1 475.457 5.317 50 10 JKCAMN Cc1cc(C(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000014357281 555796691 /nfs/dbraw/zinc/79/66/91/555796691.db2.gz DOJCJBNHBFNYCE-INIZCTEOSA-N 0 1 455.530 6.244 50 10 JKCAMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000011786837 555820305 /nfs/dbraw/zinc/82/03/05/555820305.db2.gz PYOUCKCHTQLBTA-QHCPKHFHSA-N 0 1 499.080 5.336 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000015799649 556007748 /nfs/dbraw/zinc/00/77/48/556007748.db2.gz ZHWWIZZJZGAGFI-GHRIWEEISA-N 0 1 450.466 5.215 50 10 JKCAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947305 556085268 /nfs/dbraw/zinc/08/52/68/556085268.db2.gz YAIWIHZECDHRQK-QFIPXVFZSA-N 0 1 453.995 5.505 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc3C2)cc1 ZINC000016913999 556177429 /nfs/dbraw/zinc/17/74/29/556177429.db2.gz DCZOQFUGOXCDJN-TXDHVUEDSA-N 0 1 457.662 5.185 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCc3ccccc3C2)cc1 ZINC000016914586 556179023 /nfs/dbraw/zinc/17/90/23/556179023.db2.gz XYYGDHCDOAYILT-VWLOTQADSA-N 0 1 478.434 5.045 50 10 JKCAMN CCOc1ccc(C2=C(C=C3C(=O)NC(=O)NC3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000017159874 556229404 /nfs/dbraw/zinc/22/94/04/556229404.db2.gz YFNYMLOMSAJRTR-RUZDIDTESA-N 0 1 480.520 5.462 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017179817 556234478 /nfs/dbraw/zinc/23/44/78/556234478.db2.gz VDIUBQKNWNBVBW-GZTJUZNOSA-N 0 1 498.314 5.289 50 10 JKCAMN CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OCC ZINC000017315449 556257383 /nfs/dbraw/zinc/25/73/83/556257383.db2.gz YJJISXKROZJMHZ-HHHXNRCGSA-N 0 1 487.644 5.079 50 10 JKCAMN COCC[NH+](CCOC)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21 ZINC000019791752 556370687 /nfs/dbraw/zinc/37/06/87/556370687.db2.gz MAYGRIBVTYGAAV-UHFFFAOYSA-N 0 1 495.494 5.021 50 10 biogenic JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019793040 556371896 /nfs/dbraw/zinc/37/18/96/556371896.db2.gz SXYIMVLWLYSQAP-HNNXBMFYSA-N 0 1 461.480 6.247 50 10 JKCAMN C[N@@H+](Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000019793021 556371913 /nfs/dbraw/zinc/37/19/13/556371913.db2.gz YZAHUSSAPRXOAO-UHFFFAOYSA-N 0 1 481.898 6.728 50 10 JKCAMN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793084 556372238 /nfs/dbraw/zinc/37/22/38/556372238.db2.gz VVHVYMSZDXXETF-AWEZNQCLSA-N 0 1 463.452 5.550 50 10 JKCAMN CCCC[N@@H+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc21 ZINC000019793045 556372367 /nfs/dbraw/zinc/37/23/67/556372367.db2.gz BGIMWPIDISJJIB-UHFFFAOYSA-N 0 1 463.496 6.494 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793126 556372725 /nfs/dbraw/zinc/37/27/25/556372725.db2.gz JYYVYILMXSBENG-HNNXBMFYSA-N 0 1 461.480 6.158 50 10 JKCAMN O=c1c2ccc([O-])c(C[NH+](Cc3ccccc3)Cc3ccccc3)c2occ1-c1ccccc1Cl ZINC000054219551 569589514 /nfs/dbraw/zinc/58/95/14/569589514.db2.gz UIRZBUXIASQPOM-UHFFFAOYSA-N 0 1 481.979 7.021 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000008453145 569591280 /nfs/dbraw/zinc/59/12/80/569591280.db2.gz POHNENBLGSETJP-HAVVHWLPSA-N 0 1 492.959 5.048 50 10 JKCAMN CCOC(=O)C(=C(C)Nc1ccc(C)cc1)c1c(O)cc(Br)c(O)c1Br ZINC000008453897 569591327 /nfs/dbraw/zinc/59/13/27/569591327.db2.gz DVTFUOQVDJMFBT-PTNGSMBKSA-N 0 1 485.172 5.337 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000062621044 569613389 /nfs/dbraw/zinc/61/33/89/569613389.db2.gz TTWIAZKMXKVYJM-YBFXNURJSA-N 0 1 469.324 5.042 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000033778681 569634564 /nfs/dbraw/zinc/63/45/64/569634564.db2.gz BSHHKUWCFQGRGI-XDHOZWIPSA-N 0 1 467.953 5.867 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000033907450 569637305 /nfs/dbraw/zinc/63/73/05/569637305.db2.gz CPLCMKOOUAPOOJ-SDQBBNPISA-N 0 1 495.185 5.909 50 10 JKCAMN Cc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034683776 569644650 /nfs/dbraw/zinc/64/46/50/569644650.db2.gz GKIJTGJTLVQPOH-UHFFFAOYSA-N 0 1 477.674 5.229 50 10 JKCAMN CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000083299378 569708338 /nfs/dbraw/zinc/70/83/38/569708338.db2.gz KTEPEGCXCOPYRU-GDNBJRDFSA-N 0 1 489.391 5.227 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC ZINC000085877334 569716143 /nfs/dbraw/zinc/71/61/43/569716143.db2.gz KMWUJKVGYUJROC-UHFFFAOYSA-N 0 1 489.528 5.615 50 10 biogenic JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O ZINC000085879926 569716523 /nfs/dbraw/zinc/71/65/23/569716523.db2.gz FQGVRCVFUHYMRZ-UHFFFAOYSA-N 0 1 489.528 5.702 50 10 biogenic JKCAMN O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3cccc(OC(F)F)c3)c12 ZINC000095473047 569723796 /nfs/dbraw/zinc/72/37/96/569723796.db2.gz QRUIXBZJMKLFIO-UHFFFAOYSA-N 0 1 467.428 5.831 50 10 JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(F)F ZINC000095477748 569724312 /nfs/dbraw/zinc/72/43/12/569724312.db2.gz MEAAYALSLCUFOD-UHFFFAOYSA-N 0 1 471.416 5.305 50 10 JKCAMN CC(C)n1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cn1 ZINC000095477167 569724396 /nfs/dbraw/zinc/72/43/96/569724396.db2.gz IZYXPBLKYJTVSH-UHFFFAOYSA-N 0 1 461.522 5.787 50 10 JKCAMN CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096114022 569732995 /nfs/dbraw/zinc/73/29/95/569732995.db2.gz PRSMVNCLGBKJCN-KRWDZBQOSA-N 0 1 458.466 5.099 50 10 biogenic JKCAMN CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114022 569732997 /nfs/dbraw/zinc/73/29/97/569732997.db2.gz PRSMVNCLGBKJCN-KRWDZBQOSA-N 0 1 458.466 5.099 50 10 biogenic JKCAMN CC[C@H](C)C(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C\C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000097400698 569744938 /nfs/dbraw/zinc/74/49/38/569744938.db2.gz DTYTUVZVFGDVES-DUZQJVOZSA-N 0 1 498.664 5.074 50 10 JKCAMN CCOC(=O)c1c(-c2cccs2)csc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100209372 569755478 /nfs/dbraw/zinc/75/54/78/569755478.db2.gz RHXHYKYYMFFEBG-SFQUDFHCSA-N 0 1 451.573 5.680 50 10 JKCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101025825 569779959 /nfs/dbraw/zinc/77/99/59/569779959.db2.gz KRJYEFZBUAXKED-ZRBLBEILSA-N 0 1 482.367 5.111 50 10 JKCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101350277 569793992 /nfs/dbraw/zinc/79/39/92/569793992.db2.gz KCEMWZYPDYJHIO-YVLHZVERSA-N 0 1 458.374 5.847 50 10 JKCAMN COC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000102580621 569814431 /nfs/dbraw/zinc/81/44/31/569814431.db2.gz ZCVFGLZSGPVFTH-NISQSXRWSA-N 0 1 451.592 5.404 50 10 JKCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102722387 569817313 /nfs/dbraw/zinc/81/73/13/569817313.db2.gz KRJYEFZBUAXKED-DNVJHFABSA-N 0 1 482.367 5.111 50 10 JKCAMN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O ZINC000102759463 569821584 /nfs/dbraw/zinc/82/15/84/569821584.db2.gz PROHNLRRZLTDRT-FUPPJEDESA-N 0 1 499.350 5.149 50 10 JKCAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1 ZINC000102762147 569822243 /nfs/dbraw/zinc/82/22/43/569822243.db2.gz CBAPORZLOWXHFY-QNWVGRARSA-N 0 1 483.351 5.367 50 10 JKCAMN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000103877999 569838731 /nfs/dbraw/zinc/83/87/31/569838731.db2.gz HBJPJAFJLLFPDR-UKTHLTGXSA-N 0 1 485.632 6.384 50 10 JKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000104145303 569841946 /nfs/dbraw/zinc/84/19/46/569841946.db2.gz IWDPBOKFJVLFSH-SSEXGKCCSA-N 0 1 479.624 6.788 50 10 JKCAMN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248106224 570074190 /nfs/dbraw/zinc/07/41/90/570074190.db2.gz QVFPWRVXWCGSRK-FIBWVYCGSA-N 0 1 482.668 6.391 50 10 JKCAMN CC(C)CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000000725824 193907317 /nfs/dbraw/zinc/90/73/17/193907317.db2.gz IVCDQEWYXBNGOX-RIGRNOSFSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001104055 194025169 /nfs/dbraw/zinc/02/51/69/194025169.db2.gz CETQKJSQFLBKAB-WOJGMQOQSA-N 0 1 470.381 5.232 50 10 JKCAMN CCOc1ccc(C2=C(C=C3C(=O)NC(=O)NC3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000001248427 194079691 /nfs/dbraw/zinc/07/96/91/194079691.db2.gz YFNYMLOMSAJRTR-VWLOTQADSA-N 0 1 480.520 5.462 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 ZINC000001210635 194071239 /nfs/dbraw/zinc/07/12/39/194071239.db2.gz UXLQGOVZXWOLIM-XMHGGMMESA-N 0 1 450.541 5.501 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001257897 194080662 /nfs/dbraw/zinc/08/06/62/194080662.db2.gz MSOQUYKKFYACCN-GDNBJRDFSA-N 0 1 461.301 6.064 50 10 JKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc21 ZINC000001770094 194136167 /nfs/dbraw/zinc/13/61/67/194136167.db2.gz DMMQWCNMZXFFHE-UHFFFAOYSA-N 0 1 489.493 6.970 50 10 biogenic JKCAMN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+](C)C3CCCCC3)c2oc1C(F)(F)F ZINC000001782084 194139155 /nfs/dbraw/zinc/13/91/55/194139155.db2.gz GCPGIZBTPOEFOE-UHFFFAOYSA-N 0 1 461.480 5.958 50 10 biogenic JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc32)C1 ZINC000001871121 194151322 /nfs/dbraw/zinc/15/13/22/194151322.db2.gz KVVYDQNPTWIBKE-CYBMUJFWSA-N 0 1 451.872 6.070 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002972050 194189073 /nfs/dbraw/zinc/18/90/73/194189073.db2.gz NYWCPVQJHAZTNW-GXDHUFHOSA-N 0 1 488.308 5.833 50 10 JKCAMN CCCN1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741845 194359250 /nfs/dbraw/zinc/35/92/50/194359250.db2.gz CSCKWSQBOYNTNV-UHFFFAOYSA-N 0 1 482.540 5.044 50 10 JKCAMN CCCN1CCN(c2cc(Nc3cccc(OC)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741843 194359354 /nfs/dbraw/zinc/35/93/54/194359354.db2.gz SOJCTPDFNHWCRE-UHFFFAOYSA-N 0 1 468.557 5.323 50 10 JKCAMN O=S(=O)([N-]c1ccccc1Nc1c2ccccc2[nH+]c2ccccc21)c1ccc(Cl)cc1 ZINC000003877022 194366141 /nfs/dbraw/zinc/36/61/41/194366141.db2.gz RRKPGRDLRKDVDH-UHFFFAOYSA-N 0 1 459.958 6.586 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)C1 ZINC000004136337 194380792 /nfs/dbraw/zinc/38/07/92/194380792.db2.gz JRPXNIDXGJKPNC-INIZCTEOSA-N 0 1 483.486 6.695 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc21 ZINC000004289748 194387217 /nfs/dbraw/zinc/38/72/17/194387217.db2.gz OKLUCGPABODFKT-INIZCTEOSA-N 0 1 467.487 6.712 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000004290114 194387277 /nfs/dbraw/zinc/38/72/77/194387277.db2.gz MUMIHEPOBZGMGB-INIZCTEOSA-N 0 1 483.486 6.837 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000004290118 194387317 /nfs/dbraw/zinc/38/73/17/194387317.db2.gz XTZCGELSAIFNCH-LJQANCHMSA-N 0 1 497.513 7.227 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21 ZINC000004289898 194387391 /nfs/dbraw/zinc/38/73/91/194387391.db2.gz QNWBCUHFOOGDQQ-MRXNPFEDSA-N 0 1 465.899 6.602 50 10 JKCAMN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N1 ZINC000006474200 194428550 /nfs/dbraw/zinc/42/85/50/194428550.db2.gz GUDUTAGZGOOLHC-UHFFFAOYSA-N 0 1 467.912 5.214 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009043250 194509377 /nfs/dbraw/zinc/50/93/77/194509377.db2.gz XQJUGKVZQKDGQO-GDNBJRDFSA-N 0 1 461.301 5.635 50 10 JKCAMN Cc1ccc(OCCSc2ccc(Cl)cc2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000009833498 194983544 /nfs/dbraw/zinc/98/35/44/194983544.db2.gz KJRXUSWSQZEWAN-CJLVFECKSA-N 0 1 464.974 5.281 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 ZINC000009934445 195026931 /nfs/dbraw/zinc/02/69/31/195026931.db2.gz PAUNKYNQFPGDIV-CPNJWEJPSA-N 0 1 477.372 6.131 50 10 JKCAMN COc1ccc(N2CCN(CCNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000021933158 195335553 /nfs/dbraw/zinc/33/55/53/195335553.db2.gz SSOURLMEAQFYQR-UHFFFAOYSA-N 0 1 480.037 5.254 50 10 JKCAMN CC(C)(C)c1cc(N=Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(O)c(C(C)(C)C)c1 ZINC000012289869 518991030 /nfs/dbraw/zinc/99/10/30/518991030.db2.gz VYQPOLAAMKQLLT-QVIHXGFCSA-N 0 1 491.657 7.154 50 10 JKCAMN CCCCN1CCc2cc(C=C3C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)ccc21 ZINC000017248076 520596118 /nfs/dbraw/zinc/59/61/18/520596118.db2.gz BJYCFSKGIMFKAZ-CPNJWEJPSA-N 0 1 473.520 5.540 50 10 JKCAMN CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000022419197 521541269 /nfs/dbraw/zinc/54/12/69/521541269.db2.gz ZQPWAACKRIEMAT-SANMLTNESA-N 0 1 458.606 5.072 50 10 JKCAMN CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000022419194 521542497 /nfs/dbraw/zinc/54/24/97/521542497.db2.gz ZQPWAACKRIEMAT-AREMUKBSSA-N 0 1 458.606 5.072 50 10 JKCAMN CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccc(OCCC(C)C)cc4)ccc3n2)CC1 ZINC000020108690 521696297 /nfs/dbraw/zinc/69/62/97/521696297.db2.gz WGFSNKUXNGDFCW-MDWZMJQESA-N 0 1 486.660 5.762 50 10 JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(O)c1O ZINC000085878702 521894802 /nfs/dbraw/zinc/89/48/02/521894802.db2.gz YXFLXJJMJPCIPA-UHFFFAOYSA-N 0 1 491.500 5.017 50 10 biogenic JKCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000008914544 522429267 /nfs/dbraw/zinc/42/92/67/522429267.db2.gz KUYXJDDDVSUKHM-CTDSJEBPSA-N 0 1 456.542 5.119 50 10 JKCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000001112416 522972809 /nfs/dbraw/zinc/97/28/09/522972809.db2.gz MRTJLOWUVOCLGU-XDHOZWIPSA-N 0 1 477.498 5.152 50 10 JKCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000001207110 522973107 /nfs/dbraw/zinc/97/31/07/522973107.db2.gz UGKWIQJWLAWJJE-GZTJUZNOSA-N 0 1 483.889 5.188 50 10 JKCAMN COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C ZINC000001163250 524191065 /nfs/dbraw/zinc/19/10/65/524191065.db2.gz LHTWKIYZVIKRLL-VXLYETTFSA-N 0 1 483.952 5.567 50 10 JKCAMN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000022419174 524236710 /nfs/dbraw/zinc/23/67/10/524236710.db2.gz SJRRZKATGMPPFE-RUZDIDTESA-N 0 1 479.024 5.336 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1 ZINC000001161818 524383940 /nfs/dbraw/zinc/38/39/40/524383940.db2.gz VQDJDQFPGVNFMV-HYARGMPZSA-N 0 1 485.540 5.509 50 10 JKCAMN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000020358030 524988746 /nfs/dbraw/zinc/98/87/46/524988746.db2.gz FRDKZUFHDQUGEX-UHFFFAOYSA-N 0 1 485.458 5.950 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002916354 526085881 /nfs/dbraw/zinc/08/58/81/526085881.db2.gz ZZLXGNVDQCVFKS-UDWIEESQSA-N 0 1 480.933 5.327 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001150864 526085964 /nfs/dbraw/zinc/08/59/64/526085964.db2.gz HEYFDNQWMDTPNM-UDWIEESQSA-N 0 1 453.926 5.558 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000016269351 526089274 /nfs/dbraw/zinc/08/92/74/526089274.db2.gz FSUUGTKMUYHECH-XKZIYDEJSA-N 0 1 463.990 5.196 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000033333164 526090740 /nfs/dbraw/zinc/09/07/40/526090740.db2.gz JOKBIWIGEXUDJN-WQRHYEAKSA-N 0 1 450.951 5.123 50 10 JKCAMN Cc1cnc(SCc2cccnc2)nc1[C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000012243677 526103759 /nfs/dbraw/zinc/10/37/59/526103759.db2.gz RFRUUHRDEUGUFJ-GGXQVSFTSA-N 0 1 459.663 5.431 50 10 JKCAMN Oc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012523837 526324566 /nfs/dbraw/zinc/32/45/66/526324566.db2.gz BXPDOMPVUNTSSC-HXUWFJFHSA-N 0 1 471.152 5.906 50 10 JKCAMN Oc1c(Br)cc(Br)cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012523838 526324619 /nfs/dbraw/zinc/32/46/19/526324619.db2.gz BXPDOMPVUNTSSC-FQEVSTJZSA-N 0 1 471.152 5.906 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000033333051 526938479 /nfs/dbraw/zinc/93/84/79/526938479.db2.gz SULCSQNKSFOKCR-CPNJWEJPSA-N 0 1 466.921 5.730 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000033333000 526941134 /nfs/dbraw/zinc/94/11/34/526941134.db2.gz FKTORXUWFGNHLK-LDADJPATSA-N 0 1 466.921 5.730 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000001186592 526941142 /nfs/dbraw/zinc/94/11/42/526941142.db2.gz NTNHDRHOJBNCBK-ACCUITESSA-N 0 1 450.347 5.248 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000000640869 553723720 /nfs/dbraw/zinc/72/37/20/553723720.db2.gz ODMYCICUUVSUNZ-FYJGNVAPSA-N 0 1 462.933 5.088 50 10 JKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCc1ccccc1 ZINC000000664652 553741368 /nfs/dbraw/zinc/74/13/68/553741368.db2.gz VFIZSVKOCVMIJX-KGENOOAVSA-N 0 1 472.566 5.563 50 10 JKCAMN CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000000980752 553890980 /nfs/dbraw/zinc/89/09/80/553890980.db2.gz MHSOJJPGHDPDMY-LICLKQGHSA-N 0 1 458.967 5.542 50 10 JKCAMN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000001916178 554003876 /nfs/dbraw/zinc/00/38/76/554003876.db2.gz IMQKUZICJOHNLS-ZDUSSCGKSA-N 0 1 495.925 6.812 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12 ZINC000002119443 554054746 /nfs/dbraw/zinc/05/47/46/554054746.db2.gz RNFZLANFRICZMQ-HMAPJEAMSA-N 0 1 487.378 6.427 50 10 JKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc21 ZINC000002128783 554059289 /nfs/dbraw/zinc/05/92/89/554059289.db2.gz LGKZLHOPLAFNRG-UHFFFAOYSA-N 0 1 473.912 5.557 50 10 biogenic JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000002252121 554116063 /nfs/dbraw/zinc/11/60/63/554116063.db2.gz MHGZSDOILSKVMJ-GZTJUZNOSA-N 0 1 483.889 5.188 50 10 JKCAMN CCOC(=O)c1c(CSc2ccccc2)n(-c2ccccc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000002266184 554125226 /nfs/dbraw/zinc/12/52/26/554125226.db2.gz QMXITQOZYQDLIQ-UHFFFAOYSA-N 0 1 460.599 5.867 50 10 JKCAMN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000002289959 554134368 /nfs/dbraw/zinc/13/43/68/554134368.db2.gz ZZUMIBFKMDXFFV-UHFFFAOYSA-N 0 1 480.369 5.351 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002377741 554174402 /nfs/dbraw/zinc/17/44/02/554174402.db2.gz POJMBMGRLMTBDI-XMHGGMMESA-N 0 1 491.975 5.713 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002394410 554181317 /nfs/dbraw/zinc/18/13/17/554181317.db2.gz GCCZAKFCMPMLNS-JLPGSUDCSA-N 0 1 465.578 5.387 50 10 JKCAMN CC(C)c1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000002450496 554217906 /nfs/dbraw/zinc/21/79/06/554217906.db2.gz PBHCRFVAIDZMMV-PCLIKHOPSA-N 0 1 479.605 6.485 50 10 JKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)n1 ZINC000002616298 554241349 /nfs/dbraw/zinc/24/13/49/554241349.db2.gz WELOEGOMDBPONO-UHFFFAOYSA-N 0 1 470.957 5.655 50 10 JKCAMN COc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccc(Cl)cc4Cl)n[nH]3)c2C)cc1 ZINC000002625711 554249619 /nfs/dbraw/zinc/24/96/19/554249619.db2.gz IAUWBZOUKXRIOY-UHFFFAOYSA-N 0 1 487.412 6.170 50 10 JKCAMN Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002633663 554254623 /nfs/dbraw/zinc/25/46/23/554254623.db2.gz BMDHMVQWOCCIAE-UHFFFAOYSA-N 0 1 460.531 5.517 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000008742489 554645071 /nfs/dbraw/zinc/64/50/71/554645071.db2.gz XDVUUBLUKVTHDH-MHWRWJLKSA-N 0 1 471.916 5.697 50 10 JKCAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c([O-])ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc32)C1 ZINC000008789775 554682582 /nfs/dbraw/zinc/68/25/82/554682582.db2.gz QEPAAFOSILKOCW-GASCZTMLSA-N 0 1 465.933 5.403 50 10 biogenic JKCAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000008856699 554752823 /nfs/dbraw/zinc/75/28/23/554752823.db2.gz JERBJOUAOFVBBW-WQRHYEAKSA-N 0 1 467.890 5.488 50 10 JKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000008919876 554816664 /nfs/dbraw/zinc/81/66/64/554816664.db2.gz IVWULXATDPVHCT-YPMLDQLKSA-N 0 1 483.859 6.840 50 10 JKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000008919880 554816704 /nfs/dbraw/zinc/81/67/04/554816704.db2.gz IVWULXATDPVHCT-MLCYQJTMSA-N 0 1 483.859 6.840 50 10 JKCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000008995588 554856392 /nfs/dbraw/zinc/85/63/92/554856392.db2.gz VAEYJOSBWQAWHS-OEAKJJBVSA-N 0 1 453.473 5.331 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 ZINC000008997634 554859129 /nfs/dbraw/zinc/85/91/29/554859129.db2.gz PUQKBHGNIZVGJW-OEAKJJBVSA-N 0 1 459.571 5.473 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 ZINC000009010042 554863478 /nfs/dbraw/zinc/86/34/78/554863478.db2.gz GOCHJNQQZZMESN-JJIBRWJFSA-N 0 1 467.594 5.619 50 10 JKCAMN Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)cc1)CC[C@@H](C)C2 ZINC000009151465 554938705 /nfs/dbraw/zinc/93/87/05/554938705.db2.gz LJCIIMGYHHMGHE-HSZRJFAPSA-N 0 1 498.715 5.469 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000009262702 555037572 /nfs/dbraw/zinc/03/75/72/555037572.db2.gz USGOWQKVDDHHTP-LFVJCYFKSA-N 0 1 498.991 5.904 50 10 JKCAMN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000009296739 555073765 /nfs/dbraw/zinc/07/37/65/555073765.db2.gz GNGZKGMLDBTATL-HBTCSRNFSA-N 0 1 486.568 5.128 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009311626 555088066 /nfs/dbraw/zinc/08/80/66/555088066.db2.gz PZNHKQDGASCKIK-RAXLEYEMSA-N 0 1 461.301 5.224 50 10 JKCAMN Cc1ccc(C)c(N2C(=O)/C(=C/c3c4ccccc4[nH]c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000009319522 555093876 /nfs/dbraw/zinc/09/38/76/555093876.db2.gz NRSKGHWHYFDEAL-RCCKNPSSSA-N 0 1 451.551 5.283 50 10 JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc21 ZINC000009357517 555122404 /nfs/dbraw/zinc/12/24/04/555122404.db2.gz FXAHGALVUUIDKP-QGZVFWFLSA-N 0 1 461.514 5.045 50 10 biogenic JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000009358841 555122857 /nfs/dbraw/zinc/12/28/57/555122857.db2.gz MGFMXNXCHZGZFV-XSFVSMFZSA-N 0 1 484.419 5.072 50 10 JKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000009762121 555487201 /nfs/dbraw/zinc/48/72/01/555487201.db2.gz PVHQKPYYAUQOCX-FYJGNVAPSA-N 0 1 462.933 5.088 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000013712692 555590038 /nfs/dbraw/zinc/59/00/38/555590038.db2.gz OMHGCMUYDIYGFK-YBFXNURJSA-N 0 1 498.402 5.093 50 10 JKCAMN CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238475 555732139 /nfs/dbraw/zinc/73/21/39/555732139.db2.gz UAEKVZIWBMOOLX-CTFRJJSNSA-N 0 1 475.457 5.317 50 10 JKCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 ZINC000020324547 555772586 /nfs/dbraw/zinc/77/25/86/555772586.db2.gz MBHLRDWGIZPSRM-UNOMPAQXSA-N 0 1 452.919 5.728 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1[O-] ZINC000011867324 555844278 /nfs/dbraw/zinc/84/42/78/555844278.db2.gz MPNBYOPYBMAXEQ-IBGZPJMESA-N 0 1 461.587 5.268 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000015799780 556008017 /nfs/dbraw/zinc/00/80/17/556008017.db2.gz DPICWDAYTMOSAI-QGOAFFKASA-N 0 1 450.466 5.215 50 10 JKCAMN CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000015947080 556084716 /nfs/dbraw/zinc/08/47/16/556084716.db2.gz SCWKDRBFXMBMNM-GOSISDBHSA-N 0 1 456.395 5.355 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCc3ccccc3C2)cc1 ZINC000016914339 556178359 /nfs/dbraw/zinc/17/83/59/556178359.db2.gz FWJUKSJROFUWJW-RUZDIDTESA-N 0 1 467.535 5.301 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 ZINC000016914461 556178620 /nfs/dbraw/zinc/17/86/20/556178620.db2.gz DRFWFKURKCYSFS-RUZDIDTESA-N 0 1 478.434 5.045 50 10 JKCAMN CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000017270684 556249561 /nfs/dbraw/zinc/24/95/61/556249561.db2.gz BLYNMJZKYBSFRZ-LJAQVGFWSA-N 0 1 471.645 5.461 50 10 JKCAMN CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OCC ZINC000017315452 556257395 /nfs/dbraw/zinc/25/73/95/556257395.db2.gz YJJISXKROZJMHZ-MHZLTWQESA-N 0 1 487.644 5.079 50 10 JKCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018114139 556289172 /nfs/dbraw/zinc/28/91/72/556289172.db2.gz KRJYEFZBUAXKED-ZLNRFVROSA-N 0 1 482.367 5.111 50 10 JKCAMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)C1=O ZINC000027549071 556295589 /nfs/dbraw/zinc/29/55/89/556295589.db2.gz BFLUXAAIWKQUEY-CPNJWEJPSA-N 0 1 451.910 5.004 50 10 JKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4C(C)C)c(C(F)(F)F)oc32)CC1 ZINC000019691242 556360296 /nfs/dbraw/zinc/36/02/96/556360296.db2.gz BTEVDMZZFDMTBO-UHFFFAOYSA-N 0 1 490.522 5.571 50 10 JKCAMN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)c1 ZINC000019791774 556371159 /nfs/dbraw/zinc/37/11/59/556371159.db2.gz NWENXSYYCLMVPJ-UHFFFAOYSA-N 0 1 469.459 6.250 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4CC)c3oc2C(F)(F)F)cc1 ZINC000019793036 556371961 /nfs/dbraw/zinc/37/19/61/556371961.db2.gz MWWJRPJENUISAC-KRWDZBQOSA-N 0 1 475.507 6.637 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)C1 ZINC000019793088 556372305 /nfs/dbraw/zinc/37/23/05/556372305.db2.gz YBBDCPBIUZPMRL-ZDUSSCGKSA-N 0 1 467.871 6.195 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc21 ZINC000019793136 556372648 /nfs/dbraw/zinc/37/26/48/556372648.db2.gz AEMXFGUCIBWUCX-UHFFFAOYSA-N 0 1 497.513 6.949 50 10 JKCAMN CC(C)OCc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c([O-])c2ncccc12 ZINC000008611859 562947826 /nfs/dbraw/zinc/94/78/26/562947826.db2.gz XTJWYCYBUKKHAU-UHFFFAOYSA-N 0 1 459.512 5.206 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000034378559 569640144 /nfs/dbraw/zinc/64/01/44/569640144.db2.gz FDZZWJCARAPECH-WOJGMQOQSA-N 0 1 469.324 5.042 50 10 JKCAMN Cc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683755 569644652 /nfs/dbraw/zinc/64/46/52/569644652.db2.gz CAUVYNAMMBDYGO-UHFFFAOYSA-N 0 1 498.092 5.574 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000067350942 569688506 /nfs/dbraw/zinc/68/85/06/569688506.db2.gz NNJKUHSCYCCMPK-MOSHPQCFSA-N 0 1 463.446 5.198 50 10 JKCAMN O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc(O)cc3)c12 ZINC000085875095 569715748 /nfs/dbraw/zinc/71/57/48/569715748.db2.gz LKZNCRNLAJNSKE-UHFFFAOYSA-N 0 1 459.502 5.693 50 10 biogenic JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1 ZINC000085875885 569715894 /nfs/dbraw/zinc/71/58/94/569715894.db2.gz ZYBMXNXYPWULJX-UHFFFAOYSA-N 0 1 475.501 5.225 50 10 biogenic JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C ZINC000085878743 569716209 /nfs/dbraw/zinc/71/62/09/569716209.db2.gz XWATWZXVEDEAFR-UHFFFAOYSA-N 0 1 463.490 5.079 50 10 biogenic JKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(OC(F)(F)F)cc1 ZINC000095473469 569723757 /nfs/dbraw/zinc/72/37/57/569723757.db2.gz FXOJYHZKNBCVKB-UHFFFAOYSA-N 0 1 459.380 5.594 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000095925752 569730359 /nfs/dbraw/zinc/73/03/59/569730359.db2.gz ALYRLUGGOONALC-XDHOZWIPSA-N 0 1 494.403 5.345 50 10 JKCAMN COc1ccc(C(=O)c2c(C)n(-c3ccc(C)cc3)c3ccc([O-])c(C[NH+](C)C)c32)c(OC)c1 ZINC000096592427 569742028 /nfs/dbraw/zinc/74/20/28/569742028.db2.gz UCCOICHYSJANAN-UHFFFAOYSA-N 0 1 458.558 5.263 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000098086264 569750352 /nfs/dbraw/zinc/75/03/52/569750352.db2.gz ATFZSYRASXQYQR-KEBDBYFISA-N 0 1 498.435 5.849 50 10 JKCAMN Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C=C1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000100149896 569754141 /nfs/dbraw/zinc/75/41/41/569754141.db2.gz KTKFPQCZSCYPMO-FUDBJYBQSA-N 0 1 494.395 5.412 50 10 JKCAMN CCOC(=O)C(=C(C)Nc1ccc(C)cc1)c1c(O)cc(Br)c(O)c1Br ZINC000100205329 569755366 /nfs/dbraw/zinc/75/53/66/569755366.db2.gz DVTFUOQVDJMFBT-RVDMUPIBSA-N 0 1 485.172 5.337 50 10 JKCAMN O=C1C(=CNc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000100408637 569759397 /nfs/dbraw/zinc/75/93/97/569759397.db2.gz PTZKNTSEVVTTGJ-FMIVXFBMSA-N 0 1 456.371 5.576 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000036369763 569773236 /nfs/dbraw/zinc/77/32/36/569773236.db2.gz ANCHELUGTGNZIK-NDEPHWFRSA-N 0 1 455.646 5.580 50 10 JKCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3c3cccnc3)c2=O)cc1OC ZINC000036592865 569777055 /nfs/dbraw/zinc/77/70/55/569777055.db2.gz IBKPSVLFMZANJP-HSZRJFAPSA-N 0 1 472.541 5.305 50 10 JKCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3c3cccnc3)c2=O)cc1OC ZINC000036592865 569777057 /nfs/dbraw/zinc/77/70/57/569777057.db2.gz IBKPSVLFMZANJP-HSZRJFAPSA-N 0 1 472.541 5.305 50 10 JKCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101113884 569783333 /nfs/dbraw/zinc/78/33/33/569783333.db2.gz RQKSMVUTPGTKPQ-MHWRWJLKSA-N 0 1 458.374 5.847 50 10 JKCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101114212 569783342 /nfs/dbraw/zinc/78/33/42/569783342.db2.gz KCEMWZYPDYJHIO-LICLKQGHSA-N 0 1 458.374 5.847 50 10 JKCAMN Cc1ccc(C)c(N2C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000038184175 569800454 /nfs/dbraw/zinc/80/04/54/569800454.db2.gz NRSKGHWHYFDEAL-QNGOZBTKSA-N 0 1 451.551 6.123 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102755019 569821400 /nfs/dbraw/zinc/82/14/00/569821400.db2.gz KDWPXBAHHVCUNV-UBFVSLLYSA-N 0 1 475.976 5.237 50 10 JKCAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1 ZINC000102762420 569822455 /nfs/dbraw/zinc/82/24/55/569822455.db2.gz MKHNEAQWPHFKIP-FUPPJEDESA-N 0 1 499.350 5.149 50 10 JKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000102929712 569827747 /nfs/dbraw/zinc/82/77/47/569827747.db2.gz HJVCFNUUFZDFQM-MUUNZHRXSA-N 0 1 483.587 6.998 50 10 JKCAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000102969884 569830369 /nfs/dbraw/zinc/83/03/69/569830369.db2.gz PXYJSYWQDGRKQY-GDLZYMKVSA-N 0 1 473.661 7.516 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103450617 569835068 /nfs/dbraw/zinc/83/50/68/569835068.db2.gz YKIOWDTYBKHRHI-SSEXGKCCSA-N 0 1 493.651 7.639 50 10 JKCAMN CCCCOC(=O)c1c2c(sc1N=Cc1c(C)[nH]n(-c3ccccc3)c1=O)C[C@H](C)CC2 ZINC000044827088 569839401 /nfs/dbraw/zinc/83/94/01/569839401.db2.gz OAMCJYOKHFDLJI-MURKYSCBSA-N 0 1 451.592 5.548 50 10 JKCAMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248106216 570074126 /nfs/dbraw/zinc/07/41/26/570074126.db2.gz QVFPWRVXWCGSRK-BHBYDHKZSA-N 0 1 482.668 6.391 50 10 JKCAMN CC(C)CC(=O)O[C@@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000001005030 194001976 /nfs/dbraw/zinc/00/19/76/194001976.db2.gz IVCDQEWYXBNGOX-WXIBLPIPSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc2c(cc1Cl)OCO2 ZINC000001105344 194025404 /nfs/dbraw/zinc/02/54/04/194025404.db2.gz GLWLCBQMYPMONM-RUDMXATFSA-N 0 1 455.706 5.047 50 10 JKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 ZINC000001211364 194071388 /nfs/dbraw/zinc/07/13/88/194071388.db2.gz ZIWGLRNAMKQXPZ-ZHZULCJRSA-N 0 1 498.539 5.091 50 10 JKCAMN Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000001299832 194082645 /nfs/dbraw/zinc/08/26/45/194082645.db2.gz ZQMBRMNKUNGDMX-SFQUDFHCSA-N 0 1 467.344 5.689 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001305767 194083010 /nfs/dbraw/zinc/08/30/10/194083010.db2.gz RZRYTFDDUNEIHW-NDENLUEZSA-N 0 1 498.377 5.238 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21 ZINC000001747808 194133723 /nfs/dbraw/zinc/13/37/23/194133723.db2.gz AKGLHHYPQRRQMH-ZDUSSCGKSA-N 0 1 451.872 6.212 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21 ZINC000001747785 194133837 /nfs/dbraw/zinc/13/38/37/194133837.db2.gz RALOMJUFWMBISX-LBPRGKRZSA-N 0 1 486.317 6.866 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21 ZINC000001747787 194133882 /nfs/dbraw/zinc/13/38/82/194133882.db2.gz RALOMJUFWMBISX-GFCCVEGCSA-N 0 1 486.317 6.866 50 10 JKCAMN COc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)n2)cc1 ZINC000003326008 194283185 /nfs/dbraw/zinc/28/31/85/194283185.db2.gz OQRKYWJDVXOCRB-UHFFFAOYSA-N 0 1 484.528 5.464 50 10 JKCAMN CCc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1 ZINC000003376522 194307812 /nfs/dbraw/zinc/30/78/12/194307812.db2.gz KOKYJIOHNZMWCE-UHFFFAOYSA-N 0 1 484.547 6.435 50 10 JKCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000003464971 194330961 /nfs/dbraw/zinc/33/09/61/194330961.db2.gz BSULVTKMRFJRPE-CQPUUCJISA-N 0 1 495.185 5.909 50 10 JKCAMN CN(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000012608887 195053027 /nfs/dbraw/zinc/05/30/27/195053027.db2.gz GHDVRESDRXNTKR-UHFFFAOYSA-N 0 1 494.039 5.003 50 10 JKCAMN COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)cc(Br)c3O)C2)cc1 ZINC000020764466 195220321 /nfs/dbraw/zinc/22/03/21/195220321.db2.gz JCCNFTQKAGJJIL-ICSRJNTNSA-N 0 1 482.216 5.432 50 10 JKCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000096247944 130002626 /nfs/dbraw/zinc/00/26/26/130002626.db2.gz BHCJZGHATUCOAI-LSFURLLWSA-N 0 1 494.403 5.345 50 10 JKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000033332252 520622608 /nfs/dbraw/zinc/62/26/08/520622608.db2.gz ODMYCICUUVSUNZ-BKUYFWCQSA-N 0 1 462.933 5.088 50 10 JKCAMN CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCC)c1 ZINC000016675898 520847956 /nfs/dbraw/zinc/84/79/56/520847956.db2.gz MGPZJJFSLGSZGE-OQLLNIDSSA-N 0 1 465.358 5.462 50 10 JKCAMN CCCCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000033347339 521265526 /nfs/dbraw/zinc/26/55/26/521265526.db2.gz WGNKBZCKVLWKON-JLPGSUDCSA-N 0 1 492.044 6.762 50 10 JKCAMN CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1 ZINC000033343661 521381459 /nfs/dbraw/zinc/38/14/59/521381459.db2.gz NVVBMNGZFRBVRR-HMAPJEAMSA-N 0 1 451.592 5.680 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)cc1 ZINC000022419120 522241823 /nfs/dbraw/zinc/24/18/23/522241823.db2.gz RVUFBEXOABUQMV-RUZDIDTESA-N 0 1 483.443 5.981 50 10 JKCAMN COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000001164114 522255762 /nfs/dbraw/zinc/25/57/62/522255762.db2.gz LWQNPZGMBYMBQB-HYARGMPZSA-N 0 1 487.581 5.169 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21 ZINC000004283340 523029893 /nfs/dbraw/zinc/02/98/93/523029893.db2.gz BFGIHWNLHQPMKH-INIZCTEOSA-N 0 1 491.506 5.966 50 10 biogenic JKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000033599315 523417465 /nfs/dbraw/zinc/41/74/65/523417465.db2.gz NWGKYABUIMETSA-WDZFZDKYSA-N 0 1 486.174 5.436 50 10 JKCAMN Cc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000016662666 524695664 /nfs/dbraw/zinc/69/56/64/524695664.db2.gz LRNGFDMCVWCJFQ-UHFFFAOYSA-N 0 1 481.484 6.454 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033332399 526091026 /nfs/dbraw/zinc/09/10/26/526091026.db2.gz QPXOTEOJRWRJHV-NDENLUEZSA-N 0 1 453.926 5.558 50 10 JKCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000033333148 526946617 /nfs/dbraw/zinc/94/66/17/526946617.db2.gz KDIRYLMZPFCABD-BOPFTXTBSA-N 0 1 458.923 5.895 50 10 JKCAMN O=[P@](c1ccccc1)([C@@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1 ZINC000016490955 527417253 /nfs/dbraw/zinc/41/72/53/527417253.db2.gz VACSDOJFRUDLQZ-MUAVYFROSA-N 0 1 477.383 5.729 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 ZINC000000658586 553737689 /nfs/dbraw/zinc/73/76/89/553737689.db2.gz XXYAHMAKWZFIMM-DEDYPNTBSA-N 0 1 450.466 5.215 50 10 JKCAMN COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000000664819 553741404 /nfs/dbraw/zinc/74/14/04/553741404.db2.gz WEJUNMDVTUUGOR-KGENOOAVSA-N 0 1 487.581 5.169 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000000677942 553751361 /nfs/dbraw/zinc/75/13/61/553751361.db2.gz XVJBAHGCYXCONL-GRSHGNNSSA-N 0 1 487.314 5.182 50 10 JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c3oc2C(F)(F)F)cc1OC ZINC000000939994 553876073 /nfs/dbraw/zinc/87/60/73/553876073.db2.gz NZCDHQVDPHVNKD-UHFFFAOYSA-N 0 1 499.485 5.834 50 10 JKCAMN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C ZINC000000977370 553889729 /nfs/dbraw/zinc/88/97/29/553889729.db2.gz AYAJAFOCFVIILT-HZHRSRAPSA-N 0 1 473.598 5.645 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 ZINC000000980508 553890794 /nfs/dbraw/zinc/89/07/94/553890794.db2.gz ASIVHRMEKDENBP-CPNJWEJPSA-N 0 1 455.461 5.476 50 10 JKCAMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000002053881 554012314 /nfs/dbraw/zinc/01/23/14/554012314.db2.gz WGNKBZCKVLWKON-LFVJCYFKSA-N 0 1 492.044 5.921 50 10 JKCAMN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000002114769 554052899 /nfs/dbraw/zinc/05/28/99/554052899.db2.gz NTZFNDLXFGNPJK-YRVHBCJASA-N 0 1 488.653 6.738 50 10 biogenic JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000002261761 554122383 /nfs/dbraw/zinc/12/23/83/554122383.db2.gz DYCUKMDGCQDHOI-WSDLNYQXSA-N 0 1 463.990 6.036 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002380065 554175024 /nfs/dbraw/zinc/17/50/24/554175024.db2.gz DPJHHRRIUWHMFL-HAHDFKILSA-N 0 1 469.541 5.218 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002438292 554208697 /nfs/dbraw/zinc/20/86/97/554208697.db2.gz MZYXLSOYCLTUFK-MTJSOVHGSA-N 0 1 483.515 5.253 50 10 JKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC000002616890 554242041 /nfs/dbraw/zinc/24/20/41/554242041.db2.gz VNFOLJJQBKMBAO-UHFFFAOYSA-N 0 1 466.994 5.825 50 10 JKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000002637066 554257599 /nfs/dbraw/zinc/25/75/99/554257599.db2.gz VEOUVEYBELQIAY-UHFFFAOYSA-N 0 1 452.967 5.516 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000002878807 554400658 /nfs/dbraw/zinc/40/06/58/554400658.db2.gz GKYICJPKQOVFQI-GZTJUZNOSA-N 0 1 483.889 5.188 50 10 JKCAMN CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(C[N@@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000002996678 554421612 /nfs/dbraw/zinc/42/16/12/554421612.db2.gz POLNWZAMALLAES-NRFANRHFSA-N 0 1 457.574 5.678 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OC)C(=O)NC2=S)cc1 ZINC000006481619 554545481 /nfs/dbraw/zinc/54/54/81/554545481.db2.gz SCIBOGDZFCMUSK-GZTJUZNOSA-N 0 1 463.386 5.176 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1 ZINC000006481621 554545491 /nfs/dbraw/zinc/54/54/91/554545491.db2.gz GCSUYAZIWJHPAJ-JJIBRWJFSA-N 0 1 463.647 5.784 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008818233 554701917 /nfs/dbraw/zinc/70/19/17/554701917.db2.gz OSJNSCPOIRLYLY-ODLFYWEKSA-N 0 1 484.408 5.952 50 10 JKCAMN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000008997364 554858985 /nfs/dbraw/zinc/85/89/85/554858985.db2.gz LVJDWGNEJDGHTR-UHFFFAOYSA-N 0 1 491.503 5.188 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009015876 554865941 /nfs/dbraw/zinc/86/59/41/554865941.db2.gz JPCHMNOAZGXBQW-LTGZKZEYSA-N 0 1 471.557 5.450 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])c(C[NH+]3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000009043306 554869514 /nfs/dbraw/zinc/86/95/14/554869514.db2.gz XSJQHACBDRANOR-UXHICEINSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000009043306 554869516 /nfs/dbraw/zinc/86/95/16/554869516.db2.gz XSJQHACBDRANOR-UXHICEINSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000009043306 554869519 /nfs/dbraw/zinc/86/95/19/554869519.db2.gz XSJQHACBDRANOR-UXHICEINSA-N 0 1 476.617 5.335 50 10 biogenic JKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009087896 554889757 /nfs/dbraw/zinc/88/97/57/554889757.db2.gz SGQYHYFKHBBQPA-HAVVHWLPSA-N 0 1 453.567 5.311 50 10 JKCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 ZINC000009090018 554890899 /nfs/dbraw/zinc/89/08/99/554890899.db2.gz DKGROZPCUUFPHV-KOEQRZSOSA-N 0 1 481.552 5.150 50 10 JKCAMN Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)cc1)CC[C@H](C)C2 ZINC000009151464 554938726 /nfs/dbraw/zinc/93/87/26/554938726.db2.gz LJCIIMGYHHMGHE-QHCPKHFHSA-N 0 1 498.715 5.469 50 10 JKCAMN CCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000009158305 554948116 /nfs/dbraw/zinc/94/81/16/554948116.db2.gz XGORKVVNUHPGHE-MRXNPFEDSA-N 0 1 451.519 5.150 50 10 biogenic JKCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C(=O)NC2=S)cc1 ZINC000009311140 555087590 /nfs/dbraw/zinc/08/75/90/555087590.db2.gz GWIZLNNQDVQQCB-ONUIUJJFSA-N 0 1 494.572 5.259 50 10 JKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009466074 555241588 /nfs/dbraw/zinc/24/15/88/555241588.db2.gz PHCZCHXOXGVPNR-UCQKPKSFSA-N 0 1 478.017 5.702 50 10 JKCAMN Nc1ccc(Cc2nc3ccc(Cc4ccc5[nH]c(Cc6ccc(N)cc6)nc5c4)cc3[nH]2)cc1 ZINC000009546459 555342017 /nfs/dbraw/zinc/34/20/17/555342017.db2.gz NBKUOQQSIMHZAK-UHFFFAOYSA-N 0 1 458.569 5.376 50 10 JKCAMN Nc1ccc(Cc2nc3ccc(Cc4ccc5nc(Cc6ccc(N)cc6)[nH]c5c4)cc3[nH]2)cc1 ZINC000009546459 555342023 /nfs/dbraw/zinc/34/20/23/555342023.db2.gz NBKUOQQSIMHZAK-UHFFFAOYSA-N 0 1 458.569 5.376 50 10 JKCAMN CCCN1CCN(c2cc(Nc3cc(C)ccc3C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612308 555445183 /nfs/dbraw/zinc/44/51/83/555445183.db2.gz NQNLCAWWJAIMKU-UHFFFAOYSA-N 0 1 466.585 5.932 50 10 JKCAMN CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccc(OC(C)C)cc4)ccc3n2)CC1 ZINC000013671925 555563596 /nfs/dbraw/zinc/56/35/96/555563596.db2.gz JPGYMRIVRVLJAK-MDWZMJQESA-N 0 1 458.606 5.124 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013757951 555611634 /nfs/dbraw/zinc/61/16/34/555611634.db2.gz RHKOOZHNIQVXET-NDENLUEZSA-N 0 1 470.381 6.073 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000013785945 555618750 /nfs/dbraw/zinc/61/87/50/555618750.db2.gz LYLMIHKZXRFOET-PDGQHHTCSA-N 0 1 497.916 5.579 50 10 JKCAMN Cc1ccccc1N1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000013799576 555620761 /nfs/dbraw/zinc/62/07/61/555620761.db2.gz XIFQFLZCEOOSAS-PXLXIMEGSA-N 0 1 494.576 5.260 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000013801685 555621772 /nfs/dbraw/zinc/62/17/72/555621772.db2.gz OROKPJLKUBUDPE-BOPFTXTBSA-N 0 1 475.378 5.569 50 10 JKCAMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C1=O ZINC000020238463 555732114 /nfs/dbraw/zinc/73/21/14/555732114.db2.gz FUSMTCQJFYJEHT-VULIGXMUSA-N 0 1 468.534 6.647 50 10 JKCAMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C1=O ZINC000020238460 555732124 /nfs/dbraw/zinc/73/21/24/555732124.db2.gz FUSMTCQJFYJEHT-DBZAVIBRSA-N 0 1 468.534 6.647 50 10 JKCAMN CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000011788038 555822254 /nfs/dbraw/zinc/82/22/54/555822254.db2.gz ZMTYNTYMAJPFJO-HSZRJFAPSA-N 0 1 488.962 5.512 50 10 JKCAMN COc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)c1 ZINC000020573636 555825271 /nfs/dbraw/zinc/82/52/71/555825271.db2.gz CFMIETLJQAXWGT-AWEZNQCLSA-N 0 1 463.452 5.693 50 10 JKCAMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000022145951 555881470 /nfs/dbraw/zinc/88/14/70/555881470.db2.gz NFXXSEUATYBIKE-WOJGMQOQSA-N 0 1 467.890 5.059 50 10 JKCAMN O=C1/C(=C/c2cc(Br)cc(Br)c2O)SC(=S)N1C1CCCCC1 ZINC000023410845 556052231 /nfs/dbraw/zinc/05/22/31/556052231.db2.gz IWNWDEWGPXTJQD-QPEQYQDCSA-N 0 1 477.243 5.451 50 10 JKCAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947307 556085145 /nfs/dbraw/zinc/08/51/45/556085145.db2.gz YAIWIHZECDHRQK-JOCHJYFZSA-N 0 1 453.995 5.505 50 10 JKCAMN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015947459 556085461 /nfs/dbraw/zinc/08/54/61/556085461.db2.gz CKOTZNITJSGSJB-NZFNHWASSA-N 0 1 472.202 5.532 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc3C2)cc1 ZINC000016913993 556177447 /nfs/dbraw/zinc/17/74/47/556177447.db2.gz DCZOQFUGOXCDJN-RFZHRTLMSA-N 0 1 457.662 5.185 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc3C2)cc1 ZINC000016914319 556178293 /nfs/dbraw/zinc/17/82/93/556178293.db2.gz DPIKTWLSFCQEBK-RUZDIDTESA-N 0 1 478.434 5.045 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017045028 556210700 /nfs/dbraw/zinc/21/07/00/556210700.db2.gz AWGGUJXPOMWILD-GZTJUZNOSA-N 0 1 498.314 5.289 50 10 JKCAMN Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c3ccccc3)CC1)OCO2 ZINC000025561811 556221425 /nfs/dbraw/zinc/22/14/25/556221425.db2.gz AVYRXVINWBKIRM-XMMPIXPASA-N 0 1 456.464 5.051 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1C ZINC000017197022 556238414 /nfs/dbraw/zinc/23/84/14/556238414.db2.gz PAESNWPRGRLMSE-XDHOZWIPSA-N 0 1 474.498 5.071 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000017197486 556238951 /nfs/dbraw/zinc/23/89/51/556238951.db2.gz QQOOOJBVAOBYQN-MYYYXRDXSA-N 0 1 475.504 5.302 50 10 JKCAMN CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000017270679 556249411 /nfs/dbraw/zinc/24/94/11/556249411.db2.gz BLYNMJZKYBSFRZ-GDLZYMKVSA-N 0 1 471.645 5.461 50 10 JKCAMN COc1ccc(C)cc1NC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2c2cccs2)c1[O-] ZINC000013061508 556256867 /nfs/dbraw/zinc/25/68/67/556256867.db2.gz HNEZKVXFRRCPBN-DEOSSOPVSA-N 0 1 472.610 6.513 50 10 JKCAMN CC[C@H](C)C(=O)O[C@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000027467928 556279085 /nfs/dbraw/zinc/27/90/85/556279085.db2.gz DTYTUVZVFGDVES-FOMKZASJSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN COc1ccc2ccc(O)c([C@H](c3ccccc3)N3CCN(C(=O)c4cccs4)CC3)c2c1 ZINC000013097037 556292675 /nfs/dbraw/zinc/29/26/75/556292675.db2.gz YGXXIVUCGJDLEZ-SANMLTNESA-N 0 1 458.583 5.163 50 10 JKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc21 ZINC000019789769 556369846 /nfs/dbraw/zinc/36/98/46/556369846.db2.gz SIPYLGLFKQBYQJ-HNNXBMFYSA-N 0 1 477.479 6.083 50 10 JKCAMN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)c1 ZINC000019791758 556370661 /nfs/dbraw/zinc/37/06/61/556370661.db2.gz KWHQULMVYBEZAL-INIZCTEOSA-N 0 1 461.480 6.301 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](CC)Cc4ccccc4)c3oc2C(F)(F)F)cc1 ZINC000019793057 556372374 /nfs/dbraw/zinc/37/23/74/556372374.db2.gz KDHNBSFVRHNXBT-UHFFFAOYSA-N 0 1 497.513 6.894 50 10 JKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793125 556372520 /nfs/dbraw/zinc/37/25/20/556372520.db2.gz JYYVYILMXSBENG-OAHLLOKOSA-N 0 1 461.480 6.158 50 10 JKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3OCC)c(C(F)(F)F)oc21 ZINC000019793180 556372657 /nfs/dbraw/zinc/37/26/57/556372657.db2.gz BNOBYDHHLDNNCC-UHFFFAOYSA-N 0 1 465.468 5.940 50 10 JKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)ccc4C)c(C(F)(F)F)oc32)CC1 ZINC000019793130 556372712 /nfs/dbraw/zinc/37/27/12/556372712.db2.gz NSMOAZCTTADGQP-UHFFFAOYSA-N 0 1 476.495 5.064 50 10 JKCAMN CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc1C(F)(F)F ZINC000019793181 556372721 /nfs/dbraw/zinc/37/27/21/556372721.db2.gz RQBLCUFRGDRTIN-OAHLLOKOSA-N 0 1 477.479 5.940 50 10 JKCAMN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc([O-])c2C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000054219550 569589484 /nfs/dbraw/zinc/58/94/84/569589484.db2.gz CJKUWAOOOBJDDN-UHFFFAOYSA-N 0 1 481.979 7.021 50 10 biogenic JKCAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000008721673 569598711 /nfs/dbraw/zinc/59/87/11/569598711.db2.gz WYMFCGHELFTUCE-UDWIEESQSA-N 0 1 464.978 5.182 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000035228244 569678613 /nfs/dbraw/zinc/67/86/13/569678613.db2.gz GGFQJGDPURNHAR-DEDYPNTBSA-N 0 1 480.387 5.528 50 10 JKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000083293512 569708378 /nfs/dbraw/zinc/70/83/78/569708378.db2.gz UXXXFCGEVJYIHC-YBEGLDIGSA-N 0 1 489.391 5.227 50 10 JKCAMN O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000085877566 569716159 /nfs/dbraw/zinc/71/61/59/569716159.db2.gz HGXYYNAXCDJJLF-UHFFFAOYSA-N 0 1 461.474 5.009 50 10 biogenic JKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)ccc1OC(C)C ZINC000085880047 569716511 /nfs/dbraw/zinc/71/65/11/569716511.db2.gz SZPQPXJKQLQWNR-UHFFFAOYSA-N 0 1 489.528 5.613 50 10 biogenic JKCAMN COC(=O)c1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000095473086 569723899 /nfs/dbraw/zinc/72/38/99/569723899.db2.gz JSTWPSMWGRLUMA-UHFFFAOYSA-N 0 1 459.458 5.016 50 10 JKCAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C ZINC000096114778 569733796 /nfs/dbraw/zinc/73/37/96/569733796.db2.gz FTGKRIGUKLIEHI-KRWDZBQOSA-N 0 1 488.492 5.108 50 10 biogenic JKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccccc2Br)CC(=O)O1 ZINC000096115847 569734869 /nfs/dbraw/zinc/73/48/69/569734869.db2.gz IPCNHNKEHXRZQS-AWEZNQCLSA-N 0 1 479.282 5.075 50 10 biogenic JKCAMN COC(=O)C[C@@H](c1ccccc1OC(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222538 569739602 /nfs/dbraw/zinc/73/96/02/569739602.db2.gz YBXYFJIDZPHMMJ-SFHVURJKSA-N 0 1 490.508 5.059 50 10 biogenic JKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000097402263 569744934 /nfs/dbraw/zinc/74/49/34/569744934.db2.gz MVBIHCJQEIQAFN-MHWRWJLKSA-N 0 1 461.736 5.653 50 10 JKCAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000100500800 569762692 /nfs/dbraw/zinc/76/26/92/569762692.db2.gz GUTJMNPNHSNISK-DHDCSXOGSA-N 0 1 464.765 5.884 50 10 JKCAMN O=C1C[C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712902 569767529 /nfs/dbraw/zinc/76/75/29/569767529.db2.gz ZNNJOBGUIQLDKJ-OWYSCGEBSA-N 0 1 452.436 5.543 50 10 JKCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000100926157 569776028 /nfs/dbraw/zinc/77/60/28/569776028.db2.gz RQKSMVUTPGTKPQ-YBEGLDIGSA-N 0 1 458.374 5.847 50 10 JKCAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1 ZINC000102762149 569822215 /nfs/dbraw/zinc/82/22/15/569822215.db2.gz CBAPORZLOWXHFY-FUPPJEDESA-N 0 1 483.351 5.367 50 10 JKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000102929710 569827917 /nfs/dbraw/zinc/82/79/17/569827917.db2.gz HJVCFNUUFZDFQM-NDEPHWFRSA-N 0 1 483.587 6.998 50 10 JKCAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000102969880 569830332 /nfs/dbraw/zinc/83/03/32/569830332.db2.gz PXYJSYWQDGRKQY-LJAQVGFWSA-N 0 1 473.661 7.516 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000103450577 569835031 /nfs/dbraw/zinc/83/50/31/569835031.db2.gz DKSOSSRFICHCIC-XMMPIXPASA-N 0 1 485.550 6.888 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000137918384 569865446 /nfs/dbraw/zinc/86/54/46/569865446.db2.gz NGSZVKITUOELLM-QKNQBKEWSA-N 0 1 489.742 5.404 50 10 JKCAMN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O ZINC000230033115 570043732 /nfs/dbraw/zinc/04/37/32/570043732.db2.gz PROHNLRRZLTDRT-QZNHQXDQSA-N 0 1 499.350 5.149 50 10 JKCAMN O=C1NC(=NCc2ccccn2)SC1=Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000263640052 570173997 /nfs/dbraw/zinc/17/39/97/570173997.db2.gz VAFSDAQENNBOFN-GIJQJNRQSA-N 0 1 474.895 5.576 50 10 JKCAMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000000661700 193883105 /nfs/dbraw/zinc/88/31/05/193883105.db2.gz ZGKVVYVEEOUDNJ-DEDYPNTBSA-N 0 1 467.591 5.299 50 10 JKCAMN O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001105138 194025399 /nfs/dbraw/zinc/02/53/99/194025399.db2.gz AZMQGIPGQHEJSS-PCLIKHOPSA-N 0 1 463.537 6.088 50 10 JKCAMN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000001193522 194066465 /nfs/dbraw/zinc/06/64/65/194066465.db2.gz MKQIARGPLSYWTL-XMMPIXPASA-N 0 1 454.910 5.119 50 10 JKCAMN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000001193522 194066469 /nfs/dbraw/zinc/06/64/69/194066469.db2.gz MKQIARGPLSYWTL-XMMPIXPASA-N 0 1 454.910 5.119 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001261308 194080918 /nfs/dbraw/zinc/08/09/18/194080918.db2.gz HTMPYWKJWQZFRN-HMAPJEAMSA-N 0 1 455.514 5.500 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000001299108 194082255 /nfs/dbraw/zinc/08/22/55/194082255.db2.gz LAECDPDUSBMBOV-XMHGGMMESA-N 0 1 450.541 5.501 50 10 JKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21 ZINC000001747811 194133926 /nfs/dbraw/zinc/13/39/26/194133926.db2.gz AKGLHHYPQRRQMH-CYBMUJFWSA-N 0 1 451.872 6.212 50 10 JKCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002379323 194160543 /nfs/dbraw/zinc/16/05/43/194160543.db2.gz MHJIJHMOYFLUTF-PXLXIMEGSA-N 0 1 471.944 5.405 50 10 JKCAMN Cc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 ZINC000001890771 194152867 /nfs/dbraw/zinc/15/28/67/194152867.db2.gz UHDVQVVBHGAVLZ-PXLXIMEGSA-N 0 1 488.012 5.883 50 10 JKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000003005243 194200448 /nfs/dbraw/zinc/20/04/48/194200448.db2.gz AVWGKFNQODJPGB-LPYMAVHISA-N 0 1 498.539 5.091 50 10 JKCAMN CC(C)CC(=O)O[C@H]1[C@@H]([NH+]2CCCCC2)c2c([O-])c(/C=C/C(=O)N3CCCCC3)ccc2OC1(C)C ZINC000004016729 194370058 /nfs/dbraw/zinc/37/00/58/194370058.db2.gz IVCDQEWYXBNGOX-LLTZLZMHSA-N 0 1 498.664 5.074 50 10 biogenic JKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000004290006 194387360 /nfs/dbraw/zinc/38/73/60/194387360.db2.gz KBEDTBQFKKWVJW-OAHLLOKOSA-N 0 1 461.480 5.958 50 10 biogenic JKCAMN CCCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000022419204 520887903 /nfs/dbraw/zinc/88/79/03/520887903.db2.gz NXFQMCVXPUIIKT-GDLZYMKVSA-N 0 1 486.660 5.853 50 10 JKCAMN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)cc(Br)c3O)S2)cc1 ZINC000018193723 521125893 /nfs/dbraw/zinc/12/58/93/521125893.db2.gz VDBIIJOYEVSJPJ-NVNXTCNLSA-N 0 1 498.196 5.398 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1 ZINC000009259416 521274211 /nfs/dbraw/zinc/27/42/11/521274211.db2.gz GCSUYAZIWJHPAJ-ULJHMMPZSA-N 0 1 463.647 5.784 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033293772 521962453 /nfs/dbraw/zinc/96/24/53/521962453.db2.gz MFEYXZIIHHTQPG-RGVLZGJSSA-N 0 1 483.351 5.351 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)cc1 ZINC000022419123 522246702 /nfs/dbraw/zinc/24/67/02/522246702.db2.gz RVUFBEXOABUQMV-VWLOTQADSA-N 0 1 483.443 5.981 50 10 JKCAMN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1OC ZINC000006148672 523072911 /nfs/dbraw/zinc/07/29/11/523072911.db2.gz CCNHMLGJOMBNLK-AWEZNQCLSA-N 0 1 477.479 5.576 50 10 biogenic JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000012466962 526091045 /nfs/dbraw/zinc/09/10/45/526091045.db2.gz ULATWXLFKOVZCY-XDHOZWIPSA-N 0 1 467.953 5.026 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000016676144 526092309 /nfs/dbraw/zinc/09/23/09/526092309.db2.gz KHWSPTCRQLFXOB-VCHYOVAHSA-N 0 1 488.371 5.371 50 10 JKCAMN O=C1/C(=C/c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033712599 526938464 /nfs/dbraw/zinc/93/84/64/526938464.db2.gz KVPJHVNZGACKPY-MLPAPPSSSA-N 0 1 471.741 5.122 50 10 JKCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000001163998 526939763 /nfs/dbraw/zinc/93/97/63/526939763.db2.gz WXRSMOHUNWCOEP-MHWRWJLKSA-N 0 1 471.853 5.319 50 10 JKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001207286 526944522 /nfs/dbraw/zinc/94/45/22/526944522.db2.gz KOTGBDYCXPNOBQ-BOPFTXTBSA-N 0 1 498.314 5.289 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001186422 526946804 /nfs/dbraw/zinc/94/68/04/526946804.db2.gz JQIZWPJVGKYBAX-RAXLEYEMSA-N 0 1 488.308 5.833 50 10 JKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000033352834 527046046 /nfs/dbraw/zinc/04/60/46/527046046.db2.gz MGHXCUDKQXGFSY-JMIUGGIZSA-N 0 1 494.334 6.092 50 10 JKCAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000022636585 527060071 /nfs/dbraw/zinc/06/00/71/527060071.db2.gz YBJNTELFKMGAFV-UHFFFAOYSA-N 0 1 495.048 6.102 50 10 JKCAMN O=[P@@](c1ccccc1)([C@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1 ZINC000016490967 527416715 /nfs/dbraw/zinc/41/67/15/527416715.db2.gz VACSDOJFRUDLQZ-BTYSJIOQSA-N 0 1 477.383 5.729 50 10 JKCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000016667543 527534364 /nfs/dbraw/zinc/53/43/64/527534364.db2.gz VFXAMSAGFCQISC-WOJGMQOQSA-N 0 1 471.742 5.108 50 10 JKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000657204 553736855 /nfs/dbraw/zinc/73/68/55/553736855.db2.gz RHKOOZHNIQVXET-UDWIEESQSA-N 0 1 470.381 5.232 50 10 JKCAMN CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000000677847 553751090 /nfs/dbraw/zinc/75/10/90/553751090.db2.gz FQVYRZIXNQSVRU-XSFVSMFZSA-N 0 1 460.511 5.103 50 10 JKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000000713053 553767274 /nfs/dbraw/zinc/76/72/74/553767274.db2.gz YGOHLBPJXLJAON-KOEQRZSOSA-N 0 1 487.584 5.674 50 10 biogenic JKCAMN CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000000715266 553768590 /nfs/dbraw/zinc/76/85/90/553768590.db2.gz OPCIKTKEGKEGAA-SANMLTNESA-N 0 1 455.558 5.084 50 10 JKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001276119 553939822 /nfs/dbraw/zinc/93/98/22/553939822.db2.gz GKFCNOASRWPUSS-JAIQZWGSSA-N 0 1 487.478 5.495 50 10 JKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002234408 554107004 /nfs/dbraw/zinc/10/70/04/554107004.db2.gz HOJZPRLMOMWOHW-KGENOOAVSA-N 0 1 491.975 5.713 50 10 JKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000002248373 554112998 /nfs/dbraw/zinc/11/29/98/554112998.db2.gz LYLMIHKZXRFOET-LDADJPATSA-N 0 1 497.916 5.579 50 10 JKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000002307056 554142161 /nfs/dbraw/zinc/14/21/61/554142161.db2.gz UCYLNKNEJAKATG-KOEQRZSOSA-N 0 1 471.626 5.576 50 10 JKCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002377700 554174450 /nfs/dbraw/zinc/17/44/50/554174450.db2.gz NZBVGWSPSUNHCQ-JJIBRWJFSA-N 0 1 453.542 5.882 50 10 JKCAMN COc1cccc(N2C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000002379773 554175058 /nfs/dbraw/zinc/17/50/58/554175058.db2.gz JXXQQSOHHCOUDC-RCCKNPSSSA-N 0 1 453.523 5.515 50 10 JKCAMN Cc1cc(C(=O)C[C@H](C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(C)cc1 ZINC000002616058 554241054 /nfs/dbraw/zinc/24/10/54/554241054.db2.gz BXJZIACKAMLYBN-RUZDIDTESA-N 0 1 478.617 7.252 50 10 JKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000002637144 554257532 /nfs/dbraw/zinc/25/75/32/554257532.db2.gz AQBOPEZLCDMKTN-UHFFFAOYSA-N 0 1 470.957 5.655 50 10 JKCAMN O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cc(Cl)ccc1Cl ZINC000008438975 554590117 /nfs/dbraw/zinc/59/01/17/554590117.db2.gz VYYPZSJBLMVTTB-UHFFFAOYSA-N 0 1 483.423 6.261 50 10 JKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008741248 554643552 /nfs/dbraw/zinc/64/35/52/554643552.db2.gz RYJMJDQKYYVUAV-MOSHPQCFSA-N 0 1 489.959 6.154 50 10 JKCAMN CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008766765 554667324 /nfs/dbraw/zinc/66/73/24/554667324.db2.gz CEIGJHMFFLPSKB-OZHVRZOASA-N 0 1 461.518 5.176 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008770793 554670699 /nfs/dbraw/zinc/67/06/99/554670699.db2.gz WWUQZBQMTXNXSF-LFIBNONCSA-N 0 1 498.314 5.289 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc32)C1 ZINC000008788796 554680680 /nfs/dbraw/zinc/68/06/80/554680680.db2.gz DPBHGVWXZWDYKQ-AWEZNQCLSA-N 0 1 496.357 5.266 50 10 biogenic JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc32)C1 ZINC000008788926 554680937 /nfs/dbraw/zinc/68/09/37/554680937.db2.gz YLIOVEBMEADVCA-AWEZNQCLSA-N 0 1 451.906 5.157 50 10 biogenic JKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000008919681 554816514 /nfs/dbraw/zinc/81/65/14/554816514.db2.gz FYBLDXNUJIOTPI-MGNBDDOMSA-N 0 1 483.859 6.840 50 10 JKCAMN Cc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000008997345 554858869 /nfs/dbraw/zinc/85/88/69/554858869.db2.gz VTZATYUREWBBNL-LFVJCYFKSA-N 0 1 483.524 5.514 50 10 JKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 ZINC000008997457 554858993 /nfs/dbraw/zinc/85/89/93/554858993.db2.gz ZIWGLRNAMKQXPZ-XSFVSMFZSA-N 0 1 498.539 5.091 50 10 JKCAMN CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 ZINC000009010028 554863540 /nfs/dbraw/zinc/86/35/40/554863540.db2.gz RBUJSBLSVOFQJO-NLRVBDNBSA-N 0 1 495.648 6.434 50 10 JKCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009015739 554865996 /nfs/dbraw/zinc/86/59/96/554865996.db2.gz NZBVGWSPSUNHCQ-ULJHMMPZSA-N 0 1 453.542 5.882 50 10 JKCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000009065857 554885526 /nfs/dbraw/zinc/88/55/26/554885526.db2.gz KUYXJDDDVSUKHM-KHKYUJEISA-N 0 1 456.542 5.119 50 10 JKCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009089970 554890971 /nfs/dbraw/zinc/89/09/71/554890971.db2.gz MQCPFBJRPUKBEF-JJIBRWJFSA-N 0 1 451.526 5.142 50 10 JKCAMN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009282629 555052197 /nfs/dbraw/zinc/05/21/97/555052197.db2.gz VNDRKTXYLQGOEN-OIKPOIBNSA-N 0 1 470.057 5.493 50 10 JKCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1 ZINC000009295816 555072192 /nfs/dbraw/zinc/07/21/92/555072192.db2.gz UMPOFUWDVSRFED-LFIBNONCSA-N 0 1 457.338 5.393 50 10 JKCAMN O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000009313199 555089187 /nfs/dbraw/zinc/08/91/87/555089187.db2.gz AZDFMOZYNPWMGK-SILNSSARSA-N 0 1 458.474 5.147 50 10 JKCAMN COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)ccc1O ZINC000009328635 555099337 /nfs/dbraw/zinc/09/93/37/555099337.db2.gz DKFADJYGARCBKX-SXOMAYOGSA-N 0 1 495.623 5.814 50 10 JKCAMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1 ZINC000009850572 555553191 /nfs/dbraw/zinc/55/31/91/555553191.db2.gz ARWXPZQREJFWCZ-DEDYPNTBSA-N 0 1 484.499 5.920 50 10 JKCAMN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 ZINC000010059394 555609977 /nfs/dbraw/zinc/60/99/77/555609977.db2.gz GXDKHBRWZOGIQI-VVVCHXIZSA-N 0 1 469.832 6.450 50 10 JKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 ZINC000020247812 555742487 /nfs/dbraw/zinc/74/24/87/555742487.db2.gz CAFQXXGPAGTPKX-LDADJPATSA-N 0 1 467.344 5.283 50 10 JKCAMN COc1ccccc1Oc1c(=O)c2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc1C(F)(F)F ZINC000023114504 556011429 /nfs/dbraw/zinc/01/14/29/556011429.db2.gz FEQPFXLKIOINDN-CQSZACIVSA-N 0 1 463.452 5.550 50 10 biogenic JKCAMN Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000012541335 556015273 /nfs/dbraw/zinc/01/52/73/556015273.db2.gz QXUGVOAUTJAMDC-UHFFFAOYSA-N 0 1 453.951 5.370 50 10 JKCAMN Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)cc1 ZINC000023450927 556065673 /nfs/dbraw/zinc/06/56/73/556065673.db2.gz NBTRBJXQZWENMZ-UHFFFAOYSA-N 0 1 451.357 5.605 50 10 JKCAMN CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000015947078 556084373 /nfs/dbraw/zinc/08/43/73/556084373.db2.gz SCWKDRBFXMBMNM-SFHVURJKSA-N 0 1 456.395 5.355 50 10 JKCAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947082 556084710 /nfs/dbraw/zinc/08/47/10/556084710.db2.gz SOAMVBUSIGFCMX-QHCPKHFHSA-N 0 1 468.022 5.893 50 10 JKCAMN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015947456 556085583 /nfs/dbraw/zinc/08/55/83/556085583.db2.gz CKOTZNITJSGSJB-ZIDLFYJRSA-N 0 1 472.202 5.532 50 10 JKCAMN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCc3ccccc3C2)cc1 ZINC000016914484 556178495 /nfs/dbraw/zinc/17/84/95/556178495.db2.gz JMNGLPHPUWEGSU-VWLOTQADSA-N 0 1 467.535 5.301 50 10 JKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000017124336 556220542 /nfs/dbraw/zinc/22/05/42/556220542.db2.gz OGFJVZRJSFMDMW-BOPFTXTBSA-N 0 1 457.338 6.233 50 10 JKCAMN Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000017167391 556230388 /nfs/dbraw/zinc/23/03/88/556230388.db2.gz UNFMYKANISNQDR-RCCKNPSSSA-N 0 1 469.541 5.809 50 10 JKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000027549047 556295610 /nfs/dbraw/zinc/29/56/10/556295610.db2.gz ALYRLUGGOONALC-UNOMPAQXSA-N 0 1 494.403 6.185 50 10 JKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000018181381 556299427 /nfs/dbraw/zinc/29/94/27/556299427.db2.gz HLFHSYJAXJWWQG-PDGQHHTCSA-N 0 1 497.334 5.073 50 10 JKCAMN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)cc(Br)c3O)S2)cc1 ZINC000018193748 556302013 /nfs/dbraw/zinc/30/20/13/556302013.db2.gz NWBTXPGVGFJPNJ-NVNXTCNLSA-N 0 1 453.745 5.289 50 10 JKCAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000013129015 556350310 /nfs/dbraw/zinc/35/03/10/556350310.db2.gz HEHGKJZERLUUGN-UHFFFAOYSA-N 0 1 485.382 5.756 50 10 JKCAMN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+](C)C4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000019791546 556370734 /nfs/dbraw/zinc/37/07/34/556370734.db2.gz QKZSQDSXJAPQGI-UHFFFAOYSA-N 0 1 461.480 6.383 50 10 biogenic JKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)CC1 ZINC000019791839 556370980 /nfs/dbraw/zinc/37/09/80/556370980.db2.gz SKWPCHZOIFTJHT-UHFFFAOYSA-N 0 1 498.501 5.600 50 10 JKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793024 556371776 /nfs/dbraw/zinc/37/17/76/556371776.db2.gz RXWVOHLNXJQMEO-UHFFFAOYSA-N 0 1 489.877 6.595 50 10 JKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793014 556371789 /nfs/dbraw/zinc/37/17/89/556371789.db2.gz YQWZTCGFLUUJHC-ZDUSSCGKSA-N 0 1 467.871 6.338 50 10 JKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc32)C1 ZINC000019793081 556372252 /nfs/dbraw/zinc/37/22/52/556372252.db2.gz HLJGASGSGIVPEH-MRXNPFEDSA-N 0 1 489.534 6.839 50 10 JKCAMN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793089 556372266 /nfs/dbraw/zinc/37/22/66/556372266.db2.gz RZHTXXXIHVYPGJ-OAHLLOKOSA-N 0 1 461.480 6.104 50 10 JKCAMN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793074 556372281 /nfs/dbraw/zinc/37/22/81/556372281.db2.gz WIRICJGDVHQDQE-AWEZNQCLSA-N 0 1 461.480 6.158 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc21 ZINC000019793056 556372335 /nfs/dbraw/zinc/37/23/35/556372335.db2.gz UVTHYCTVTXUZAC-UHFFFAOYSA-N 0 1 483.486 6.640 50 10 JKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc32)C1 ZINC000019793082 556372340 /nfs/dbraw/zinc/37/23/40/556372340.db2.gz HLJGASGSGIVPEH-INIZCTEOSA-N 0 1 489.534 6.839 50 10 JKCAMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc21 ZINC000019793054 556372343 /nfs/dbraw/zinc/37/23/43/556372343.db2.gz UBFIBEGIQJUBEJ-UHFFFAOYSA-N 0 1 499.485 6.340 50 10 JKCAMN CCCC[N@@H+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3OCC)c(C(F)(F)F)oc21 ZINC000019793161 556372586 /nfs/dbraw/zinc/37/25/86/556372586.db2.gz MNFDXTDEPOWAPR-UHFFFAOYSA-N 0 1 479.495 6.330 50 10 JKCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008438772 569589710 /nfs/dbraw/zinc/58/97/10/569589710.db2.gz MFEYXZIIHHTQPG-JAIQZWGSSA-N 0 1 483.351 5.351 50 10 JKCAMN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[N@H+](C)Cc4ccccc4)c32)cc1Cl ZINC000008717882 569596916 /nfs/dbraw/zinc/59/69/16/569596916.db2.gz DQEUMSCZXMAAKG-UHFFFAOYSA-N 0 1 464.949 5.993 50 10 JKCAMN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[N@@H+](C)Cc4ccccc4)c32)cc1Cl ZINC000008717882 569596917 /nfs/dbraw/zinc/59/69/17/569596917.db2.gz DQEUMSCZXMAAKG-UHFFFAOYSA-N 0 1 464.949 5.993 50 10 JKCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033785639 569635021 /nfs/dbraw/zinc/63/50/21/569635021.db2.gz XVJBAHGCYXCONL-VXLYETTFSA-N 0 1 487.314 5.182 50 10 JKCAMN Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000034683726 569644614 /nfs/dbraw/zinc/64/46/14/569644614.db2.gz MSEZHETZWPYCQW-UHFFFAOYSA-N 0 1 481.637 5.060 50 10 JKCAMN Cc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683796 569644674 /nfs/dbraw/zinc/64/46/74/569644674.db2.gz YYTKFPVVWFHOMQ-UHFFFAOYSA-N 0 1 477.674 5.229 50 10 JKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000068680722 569691446 /nfs/dbraw/zinc/69/14/46/569691446.db2.gz MVBIHCJQEIQAFN-YBEGLDIGSA-N 0 1 461.736 5.653 50 10 JKCAMN CC(C)Oc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000085879471 569716302 /nfs/dbraw/zinc/71/63/02/569716302.db2.gz AEDAEMJEOWHNIQ-UHFFFAOYSA-N 0 1 459.502 5.605 50 10 biogenic JKCAMN O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc(F)c(F)c3F)c12 ZINC000095477536 569724337 /nfs/dbraw/zinc/72/43/37/569724337.db2.gz UOTQFYFASJCPMM-UHFFFAOYSA-N 0 1 469.419 6.037 50 10 JKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)c2ccccc12 ZINC000095478813 569724503 /nfs/dbraw/zinc/72/45/03/569724503.db2.gz GOERKSSHNRVBEE-UHFFFAOYSA-N 0 1 455.470 5.857 50 10 JKCAMN COc1cc(OC)c(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000095480812 569724707 /nfs/dbraw/zinc/72/47/07/569724707.db2.gz CDNWPGRJVBQRTF-UHFFFAOYSA-N 0 1 491.500 5.255 50 10 JKCAMN CC(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114575 569733618 /nfs/dbraw/zinc/73/36/18/569733618.db2.gz XEWBRUCWQHDOKF-KRWDZBQOSA-N 0 1 488.492 5.053 50 10 biogenic JKCAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c2ccccc12 ZINC000096115520 569734452 /nfs/dbraw/zinc/73/44/52/569734452.db2.gz KGMCBRZIYLYNOT-GOSISDBHSA-N 0 1 496.471 5.180 50 10 biogenic JKCAMN COC(=O)C[C@H](c1ccccc1OC(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222536 569739607 /nfs/dbraw/zinc/73/96/07/569739607.db2.gz YBXYFJIDZPHMMJ-GOSISDBHSA-N 0 1 490.508 5.059 50 10 biogenic JKCAMN COc1ccc(OC)c(C(=O)c2c(C)n(-c3ccc(C)cc3)c3ccc([O-])c(C[NH+](C)C)c32)c1 ZINC000096592430 569742014 /nfs/dbraw/zinc/74/20/14/569742014.db2.gz DWBBULPYVASTOR-UHFFFAOYSA-N 0 1 458.558 5.263 50 10 JKCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCc3ccccc3C2)cc1 ZINC000036369764 569773265 /nfs/dbraw/zinc/77/32/65/569773265.db2.gz ANCHELUGTGNZIK-MUUNZHRXSA-N 0 1 455.646 5.580 50 10 JKCAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCCC[C@@H]4c4cccnc4)c3oc2=O)cc1OC ZINC000036585124 569776895 /nfs/dbraw/zinc/77/68/95/569776895.db2.gz PEUFLPNSKMVHRY-HSZRJFAPSA-N 0 1 472.541 5.305 50 10 JKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)sc2c1CCCC2 ZINC000101114112 569783303 /nfs/dbraw/zinc/78/33/03/569783303.db2.gz QGTPVLMQOGOLEF-SFQUDFHCSA-N 0 1 488.407 5.285 50 10 JKCAMN O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000038198094 569800624 /nfs/dbraw/zinc/80/06/24/569800624.db2.gz KEHAKXKCQZKJOZ-HAVVHWLPSA-N 0 1 457.530 5.355 50 10 JKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102765168 569822832 /nfs/dbraw/zinc/82/28/32/569822832.db2.gz DWROTSDKPAMJAG-IRFCIJBXSA-N 0 1 489.742 5.404 50 10 JKCAMN CCCCOC(=O)c1c2c(sc1N=Cc1c(C)[nH]n(-c3ccccc3)c1=O)C[C@@H](C)CC2 ZINC000044827091 569839343 /nfs/dbraw/zinc/83/93/43/569839343.db2.gz OAMCJYOKHFDLJI-WLVMFVESSA-N 0 1 451.592 5.548 50 10 JKCAMN Oc1ccc2c3nc4n[nH]cc4c(-c4ccc(OCCc5ccc6c(c5)CCO6)cc4)c3oc2c1O ZINC000217835481 569881808 /nfs/dbraw/zinc/88/18/08/569881808.db2.gz UILVPVAJPSZPKC-UHFFFAOYSA-N 0 1 479.492 5.492 50 10 biogenic JKCAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1 ZINC000230040355 570043944 /nfs/dbraw/zinc/04/39/44/570043944.db2.gz CBAPORZLOWXHFY-QZNHQXDQSA-N 0 1 483.351 5.367 50 10 JKCAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1 ZINC000245324902 570064091 /nfs/dbraw/zinc/06/40/91/570064091.db2.gz CBAPORZLOWXHFY-MQSCRBSSSA-N 0 1 483.351 5.367 50 10 JKCAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1 ZINC000245326860 570064991 /nfs/dbraw/zinc/06/49/91/570064991.db2.gz MKHNEAQWPHFKIP-MQSCRBSSSA-N 0 1 499.350 5.149 50 10 JKCAMN