smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000252462932 291139562 /nfs/dbraw/zinc/13/95/62/291139562.db2.gz XOEFQGQIXMPRIN-ZKSSIVGNSA-N 0 1 398.506 5.029 50 30 biogenic,in-vitro GKEAMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000002232039 209351033 /nfs/dbraw/zinc/35/10/33/209351033.db2.gz CEGHOOAUAWVFGV-HZHRSRAPSA-N 0 1 386.480 5.069 50 30 GKEAMN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 ZINC000001107536 209300923 /nfs/dbraw/zinc/30/09/23/209300923.db2.gz OPSKZOBVXVQYAI-QGMBQPNBSA-N 0 1 383.083 5.285 50 30 GKEAMN O=C1c2ccccc2C2=C1C(c1ccccc1[N+](=O)[O-])Sc1ccccc1N2 ZINC000001074072 209297141 /nfs/dbraw/zinc/29/71/41/209297141.db2.gz WCZYGSJUTIQWNG-QFIPXVFZSA-N 0 1 386.432 5.461 50 30 GKEAMN O=C1c2ccccc2C2=C1[C@H](c1ccccc1[N+](=O)[O-])Sc1ccccc1N2 ZINC000001074072 209297145 /nfs/dbraw/zinc/29/71/45/209297145.db2.gz WCZYGSJUTIQWNG-QFIPXVFZSA-N 0 1 386.432 5.461 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000001437722 212244305 /nfs/dbraw/zinc/24/43/05/212244305.db2.gz DNOKRUXSXRKXRN-HCGXMYGOSA-N 0 1 396.167 5.729 50 30 GKEAMN CC(C)(C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000001228853 212231352 /nfs/dbraw/zinc/23/13/52/212231352.db2.gz XBUKUGMSCUTYFI-AWQFTUOYSA-N 0 1 382.685 5.562 50 30 GKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1 ZINC000001107510 212217806 /nfs/dbraw/zinc/21/78/06/212217806.db2.gz JQFSZZUUNNLMGB-REZTVBANSA-N 0 1 389.474 5.321 50 30 GKEAMN Oc1ccccc1C=Nc1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000001057387 212210624 /nfs/dbraw/zinc/21/06/24/212210624.db2.gz UFVXEUKHBVWKPO-FOKLQQMPSA-N 0 1 382.250 5.993 50 30 GKEAMN COc1ccc(/C=N/c2ccc(O)c(-c3nc4c(cccc4C)o3)c2)cc1Cl ZINC000001055771 212210756 /nfs/dbraw/zinc/21/07/56/212210756.db2.gz KJQSXVCAWXPLKO-WYMPLXKRSA-N 0 1 392.842 5.921 50 30 biogenic GKEAMN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000217457245 212112482 /nfs/dbraw/zinc/11/24/82/212112482.db2.gz XOEFQGQIXMPRIN-IYNDAXALSA-N 0 1 398.506 5.029 50 30 biogenic GKEAMN Cn1c2ccc(/N=C/c3cccc(Cl)c3O)cc2c2nc3ccccc3nc21 ZINC000005124666 204112827 /nfs/dbraw/zinc/11/28/27/204112827.db2.gz WYDIXWAJDOWMSE-WYMPLXKRSA-N 0 1 386.842 5.384 50 30 GKEAMN Cc1[n-]n(-c2ccccc2)c(=O)c1C(=[NH+]Nc1ccc(C)cc1)c1ccccc1 ZINC000018191898 204616735 /nfs/dbraw/zinc/61/67/35/204616735.db2.gz PKSGRUQVPYFMHU-WNAAXNPUSA-N 0 1 382.467 5.059 50 30 GKEAMN C=CCc1cc(Cl)ccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002339991 206250314 /nfs/dbraw/zinc/25/03/14/206250314.db2.gz FWMFBNHBOVEOSJ-UHFFFAOYSA-N 0 1 388.854 6.177 50 30 GKEAMN CCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000004973885 211560173 /nfs/dbraw/zinc/56/01/73/211560173.db2.gz OHQOLFYVGAZDOH-LXYRJJAWSA-N 0 1 399.947 5.283 50 30 GKEAMN CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCC2 ZINC000001045635 206346019 /nfs/dbraw/zinc/34/60/19/206346019.db2.gz GBNVAHQOIUKFGF-DNTJNYDQSA-N 0 1 384.284 5.177 50 30 GKEAMN Brc1ccc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000001055549 206346681 /nfs/dbraw/zinc/34/66/81/206346681.db2.gz QOFYIMSYMSYNBL-LPYMAVHISA-N 0 1 376.257 5.743 50 30 GKEAMN [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000001434935 206381404 /nfs/dbraw/zinc/38/14/04/206381404.db2.gz XIPXWUGPSHEORL-FOKLQQMPSA-N 0 1 382.250 5.993 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000001434935 206381408 /nfs/dbraw/zinc/38/14/08/206381408.db2.gz XIPXWUGPSHEORL-FOKLQQMPSA-N 0 1 382.250 5.993 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2OC)[C@H](C)CC)o1 ZINC000036167798 518587064 /nfs/dbraw/zinc/58/70/64/518587064.db2.gz XMSXBDNJFMGMHA-LJQANCHMSA-N 0 1 383.532 5.429 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2cc(OC)cc(OC)c2)C(C)C)o1 ZINC000036203688 518587846 /nfs/dbraw/zinc/58/78/46/518587846.db2.gz CEKIRSPBTMMZDI-UHFFFAOYSA-N 0 1 399.531 5.047 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cccc(F)c2)o1 ZINC000036203137 518695967 /nfs/dbraw/zinc/69/59/67/518695967.db2.gz AJRMBFMASILHQA-UHFFFAOYSA-N 0 1 385.523 5.951 50 30 GKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000009264266 519640470 /nfs/dbraw/zinc/64/04/70/519640470.db2.gz FKJISGVXKYVBPV-BVZFJXPGSA-N 0 1 398.462 5.200 50 30 GKEAMN CC(C)c1ccc(C=NN=C2NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000009319418 519834341 /nfs/dbraw/zinc/83/43/41/519834341.db2.gz TXGXNRAOWNLAOD-GQBLCDNYSA-N 0 1 393.556 5.938 50 30 GKEAMN CCCCCCC[C@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000033356807 520068508 /nfs/dbraw/zinc/06/85/08/520068508.db2.gz ZGWKWYBWSAEONU-FTJBHMTQSA-N 0 1 395.587 5.351 50 30 GKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)cc1 ZINC000005735262 520250409 /nfs/dbraw/zinc/25/04/09/520250409.db2.gz MTVKSGQQDBNGDQ-PXLXIMEGSA-N 0 1 380.517 5.367 50 30 GKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005735265 520250671 /nfs/dbraw/zinc/25/06/71/520250671.db2.gz RPIGUDAXGDLPCF-HYARGMPZSA-N 0 1 384.480 5.198 50 30 GKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000005825013 520250997 /nfs/dbraw/zinc/25/09/97/520250997.db2.gz IHINMRMEUWBSNH-PXLXIMEGSA-N 0 1 396.516 5.067 50 30 GKEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc1 ZINC000005738390 520323685 /nfs/dbraw/zinc/32/36/85/520323685.db2.gz MAXDBOUDHLQZJV-HYARGMPZSA-N 0 1 396.516 5.066 50 30 GKEAMN O=C([O-])c1cccc(N=CC2=CC(=[NH+]Nc3cccc4ccccc43)C=CC2=O)c1 ZINC000023375067 534548433 /nfs/dbraw/zinc/54/84/33/534548433.db2.gz SYNNFGPJSPTAGL-NUXATEGXSA-N 0 1 395.418 6.410 50 30 GKEAMN COc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c(OC)c1 ZINC000017919518 523453323 /nfs/dbraw/zinc/45/33/23/523453323.db2.gz CZXNCBGTPXMGBL-YDZHTSKRSA-N 0 1 390.464 5.437 50 30 GKEAMN COc1ccc(NN=C(N=Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004950436 523472515 /nfs/dbraw/zinc/47/25/15/523472515.db2.gz GLAMZVJETSQMSM-JVVTXYFXSA-N 0 1 375.388 5.161 50 30 GKEAMN CCc1ccc2oc(-c3cc(/N=C\c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 ZINC000018068981 524060991 /nfs/dbraw/zinc/06/09/91/524060991.db2.gz HPHNHRZLSQLOTM-QRVIBDJDSA-N 0 1 387.395 5.422 50 30 GKEAMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000071810550 525442074 /nfs/dbraw/zinc/44/20/74/525442074.db2.gz FVUNBNGPEMZTBW-ZDUSSCGKSA-N 0 1 399.397 5.595 50 30 GKEAMN Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O ZINC000036167341 525555946 /nfs/dbraw/zinc/55/59/46/525555946.db2.gz DIRCDJQVQBCTMR-WSDLNYQXSA-N 0 1 389.436 5.636 50 30 GKEAMN CSc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019867359 525950885 /nfs/dbraw/zinc/95/08/85/525950885.db2.gz WZCWFYFPLITGMZ-NLRVBDNBSA-N 0 1 399.563 5.130 50 30 GKEAMN Fc1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004828606 526406905 /nfs/dbraw/zinc/40/69/05/526406905.db2.gz ODMWNRZFKSSIHJ-ZMOGYAJESA-N 0 1 376.822 5.535 50 30 GKEAMN C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000011839485 570234262 /nfs/dbraw/zinc/23/42/62/570234262.db2.gz QCAYUTYWIQWABM-UKRRQHHQSA-N 0 1 386.879 5.127 50 30 GKEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005809650 570276874 /nfs/dbraw/zinc/27/68/74/570276874.db2.gz GNXWTWCQPJJQKS-HNNXBMFYSA-N 0 1 379.312 5.018 50 30 GKEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005809672 570276879 /nfs/dbraw/zinc/27/68/79/570276879.db2.gz GNXWTWCQPJJQKS-OAHLLOKOSA-N 0 1 379.312 5.018 50 30 GKEAMN FC(F)(F)c1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000006191598 570299640 /nfs/dbraw/zinc/29/96/40/570299640.db2.gz HTQPDTXPODCBRA-ZVBGSRNCSA-N 0 1 382.798 5.162 50 30 GKEAMN N#Cc1c(=O)[nH]c(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000015987527 570304875 /nfs/dbraw/zinc/30/48/75/570304875.db2.gz VLQLCRVTTSCBBQ-UHFFFAOYSA-N 0 1 387.386 5.032 50 30 GKEAMN CCCC1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004898490 570358308 /nfs/dbraw/zinc/35/83/08/570358308.db2.gz PWVKRDRWQVOXOX-ZNVYLOEZSA-N 0 1 391.496 5.067 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004898710 570358728 /nfs/dbraw/zinc/35/87/28/570358728.db2.gz HIZMJNVAYKEKLE-IQZBWDKASA-N 0 1 379.529 5.019 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004898709 570358737 /nfs/dbraw/zinc/35/87/37/570358737.db2.gz HIZMJNVAYKEKLE-ANTKNQIZSA-N 0 1 379.529 5.019 50 30 GKEAMN Clc1cc(Cl)c(N=NCc2ccc(-c3cccs3)s2)c(Cl)c1 ZINC000004389811 570373035 /nfs/dbraw/zinc/37/30/35/570373035.db2.gz PZOJTCMOKSJICM-UFWORHAWSA-N 0 1 387.744 6.883 50 30 GKEAMN Cc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc32)cc1 ZINC000004575404 570385719 /nfs/dbraw/zinc/38/57/19/570385719.db2.gz HAPUYTGUZXSYLM-JVWAILMASA-N 0 1 394.474 6.165 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000004608392 570387294 /nfs/dbraw/zinc/38/72/94/570387294.db2.gz OIRWWQGCTMWMLA-QFIPXVFZSA-N 0 1 380.875 5.257 50 30 GKEAMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000004739389 570400730 /nfs/dbraw/zinc/40/07/30/570400730.db2.gz ZXXDSLINQXJTLY-OEAKJJBVSA-N 0 1 376.460 5.572 50 30 GKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000006615545 570484845 /nfs/dbraw/zinc/48/48/45/570484845.db2.gz YFRFLOXPWOMNSJ-CIAFOILYSA-N 0 1 393.712 5.549 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000006620729 570505989 /nfs/dbraw/zinc/50/59/89/570505989.db2.gz BHLSWCHAQCHCNV-NRFANRHFSA-N 0 1 377.484 5.154 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000036093496 570535645 /nfs/dbraw/zinc/53/56/45/570535645.db2.gz HIZMJNVAYKEKLE-PEHOWQFQSA-N 0 1 379.529 5.019 50 30 GKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733087 570557163 /nfs/dbraw/zinc/55/71/63/570557163.db2.gz FOCPHKRPQOJWMF-OAQYLSRUSA-N 0 1 397.522 5.840 50 30 GKEAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733059 570557336 /nfs/dbraw/zinc/55/73/36/570557336.db2.gz KJOXCLQZJBTLNJ-OAQYLSRUSA-N 0 1 397.522 5.894 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009925843 570562648 /nfs/dbraw/zinc/56/26/48/570562648.db2.gz JRONYSSNIMQOAX-IFRROFPPSA-N 0 1 398.702 5.922 50 30 GKEAMN CCOc1ccc(N[NH+]=C2C=CC(=O)C(C=Nc3cccc(C(=O)[O-])c3)=C2)cc1 ZINC000102035642 570840732 /nfs/dbraw/zinc/84/07/32/570840732.db2.gz YAAXREKOHBXGHB-HVNIOBLQSA-N 0 1 389.411 5.655 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000102484531 570849547 /nfs/dbraw/zinc/84/95/47/570849547.db2.gz LJUAWURLVBLTOC-XMMPIXPASA-N 0 1 399.494 5.761 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000102484529 570849657 /nfs/dbraw/zinc/84/96/57/570849657.db2.gz LJUAWURLVBLTOC-DEOSSOPVSA-N 0 1 399.494 5.761 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000005738720 570916135 /nfs/dbraw/zinc/91/61/35/570916135.db2.gz OHQOLFYVGAZDOH-YGAJUMRDSA-N 0 1 399.947 5.283 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1sccc1C ZINC000018244471 570952201 /nfs/dbraw/zinc/95/22/01/570952201.db2.gz MCUZOIXXLQXJBK-NRFANRHFSA-N 0 1 394.540 5.610 50 30 GKEAMN Cc1ccccc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000004808277 570997204 /nfs/dbraw/zinc/99/72/04/570997204.db2.gz CWRNQZNYGRSRTP-SSDVNMTOSA-N 0 1 384.273 5.839 50 30 GKEAMN CCOc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000252589664 570997656 /nfs/dbraw/zinc/99/76/56/570997656.db2.gz AMDIHGYSLBYPJJ-UHFFFAOYSA-N 0 1 399.082 5.067 50 30 GKEAMN CC(C)(C)c1cc(N=Cc2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1O ZINC000252597525 571004363 /nfs/dbraw/zinc/00/43/63/571004363.db2.gz CRYWTFPRJLPGPF-UHFFFAOYSA-N 0 1 394.342 6.750 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(OCC(F)(F)C(F)F)cc1 ZINC000252599959 571005046 /nfs/dbraw/zinc/00/50/46/571005046.db2.gz DNOKRUXSXRKXRN-UHFFFAOYSA-N 0 1 396.167 5.729 50 30 GKEAMN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl ZINC000084338475 571014217 /nfs/dbraw/zinc/01/42/17/571014217.db2.gz MHEPKPYFZOWRET-GFCCVEGCSA-N 0 1 398.837 5.574 50 30 GKEAMN COc1cccc(N=Cc2c(O)c(C(=O)Nc3ccccc3)cc3ccccc32)c1 ZINC000252615610 571018273 /nfs/dbraw/zinc/01/82/73/571018273.db2.gz JTLGUPZTFNVZHJ-UHFFFAOYSA-N 0 1 396.446 5.557 50 30 GKEAMN N#CC(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 ZINC000084576824 571023553 /nfs/dbraw/zinc/02/35/53/571023553.db2.gz KZTVVVBRQLTXSG-INIZCTEOSA-N 0 1 398.409 5.418 50 30 GKEAMN COc1ccc(OC)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 ZINC000001435275 571024137 /nfs/dbraw/zinc/02/41/37/571024137.db2.gz QTNLQEHNQFHTMK-DNTJNYDQSA-N 0 1 398.684 5.193 50 30 GKEAMN Cc1cccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4O)ccc3o2)c1 ZINC000252620298 571026295 /nfs/dbraw/zinc/02/62/95/571026295.db2.gz MBKSWPXNLXKKTD-UHFFFAOYSA-N 0 1 397.261 6.566 50 30 GKEAMN Cc1ccsc1[C@@H]1c2c(C)n[nH]c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018200085 210217256 /nfs/dbraw/zinc/21/72/56/210217256.db2.gz VAZIIDINXXEBRI-KPZWWZAWSA-N 0 1 381.526 5.108 50 30 GKEAMN Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197792 210216198 /nfs/dbraw/zinc/21/61/98/210216198.db2.gz AQQLIJICJLICLL-ORAYPTAESA-N 0 1 395.915 5.391 50 30 GKEAMN CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005862629 209618059 /nfs/dbraw/zinc/61/80/59/209618059.db2.gz NEWJDOMSZYYCAM-INIZCTEOSA-N 0 1 393.339 5.579 50 30 GKEAMN Cc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc32)cc1 ZINC000003067712 209409593 /nfs/dbraw/zinc/40/95/93/209409593.db2.gz JAWJEVOYMDXXHR-WGOQTCKBSA-N 0 1 380.447 5.857 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000002322577 209357526 /nfs/dbraw/zinc/35/75/26/209357526.db2.gz PWVKRDRWQVOXOX-IIGRLWHBSA-N 0 1 391.496 5.067 50 30 GKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/Cc1ccccc1)CCCC3 ZINC000002292480 209354471 /nfs/dbraw/zinc/35/44/71/209354471.db2.gz IJYSGTJNBYVJOD-WSDLNYQXSA-N 0 1 384.273 5.399 50 30 GKEAMN Cc1cccc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)n1 ZINC000002270168 209353844 /nfs/dbraw/zinc/35/38/44/209353844.db2.gz ITRIDFSBRUYNNZ-UFFVCSGVSA-N 0 1 385.261 5.234 50 30 GKEAMN O=C1c2ccccc2C2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Sc1ccccc1N2 ZINC000002200682 209350001 /nfs/dbraw/zinc/35/00/01/209350001.db2.gz DYBGTOGVAYUSGH-QFIPXVFZSA-N 0 1 386.432 5.461 50 30 GKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000001051287 212211445 /nfs/dbraw/zinc/21/14/45/212211445.db2.gz NJWQFIHPWRUDJU-NGYBGAFCSA-N 0 1 379.468 5.866 50 30 GKEAMN CC(C)(C)c1ccc(C=NNc2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 ZINC000004588043 204055725 /nfs/dbraw/zinc/05/57/25/204055725.db2.gz HPDZGUGKUOBVQA-FOKLQQMPSA-N 0 1 388.298 5.991 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005059173 204108076 /nfs/dbraw/zinc/10/80/76/204108076.db2.gz WMEHTCWPJURYQK-FQEVSTJZSA-N 0 1 397.902 5.499 50 30 GKEAMN CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005862637 204154166 /nfs/dbraw/zinc/15/41/66/204154166.db2.gz YSLAIIWUSDLCIJ-QGZVFWFLSA-N 0 1 393.339 5.579 50 30 GKEAMN Fc1ccccc1Cn1cc(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc21 ZINC000005456849 204133247 /nfs/dbraw/zinc/13/32/47/204133247.db2.gz HGVYPOOHLXWFST-DHRITJCHSA-N 0 1 383.430 5.151 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004899219 211550833 /nfs/dbraw/zinc/55/08/33/211550833.db2.gz NGSNJSSGLRAOBF-IQZBWDKASA-N 0 1 379.529 5.019 50 30 GKEAMN CCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004888982 211554679 /nfs/dbraw/zinc/55/46/79/211554679.db2.gz IRFCVDGQBCNITL-USZBFOJCSA-N 0 1 397.519 5.077 50 30 GKEAMN Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000000710906 206319317 /nfs/dbraw/zinc/31/93/17/206319317.db2.gz PVZRFGFFCGVASZ-QGMBQPNBSA-N 0 1 383.083 5.285 50 30 GKEAMN O=C1c2ccccc2C2=C1C(c1c(F)cccc1Cl)Sc1ccccc1N2 ZINC000018222319 207096414 /nfs/dbraw/zinc/09/64/14/207096414.db2.gz ZQMYYDFBVVULQT-JOCHJYFZSA-N 0 1 393.870 6.346 50 30 GKEAMN FC(F)(F)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019879377 207168351 /nfs/dbraw/zinc/16/83/51/207168351.db2.gz OKGKQJOOJQIORW-JVWAILMASA-N 0 1 397.444 5.010 50 30 GKEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005809655 220900071 /nfs/dbraw/zinc/90/00/71/220900071.db2.gz FFPNZQMJEHZIDU-MRXNPFEDSA-N 0 1 379.312 5.018 50 30 GKEAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152903 221071659 /nfs/dbraw/zinc/07/16/59/221071659.db2.gz JVBXMEFEVUHBQV-HXUWFJFHSA-N 0 1 399.494 5.286 50 30 GKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000020064654 518458595 /nfs/dbraw/zinc/45/85/95/518458595.db2.gz WJQWUABZIOVRBY-XIEYBQDHSA-N 0 1 377.919 5.035 50 30 GKEAMN CC(=NNc1nc(-c2ccc(C)cc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004989554 518466620 /nfs/dbraw/zinc/46/66/20/518466620.db2.gz FVTGJTWTYRWFOK-WGOQTCKBSA-N 0 1 397.438 5.350 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cccc(OC)c2)o1 ZINC000036203419 518696282 /nfs/dbraw/zinc/69/62/82/518696282.db2.gz QVGXMTNBRSAZIX-UHFFFAOYSA-N 0 1 397.559 5.820 50 30 GKEAMN C=CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843746 518787665 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CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000021722402 521166313 /nfs/dbraw/zinc/16/63/13/521166313.db2.gz BJNVBMHFWMJYEZ-DEOSSOPVSA-N 0 1 388.511 5.548 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O ZINC000005093463 521254127 /nfs/dbraw/zinc/25/41/27/521254127.db2.gz ISUKVHSUZDVZOS-UAQCVPFCSA-N 0 1 385.558 5.081 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000034388913 521255120 /nfs/dbraw/zinc/25/51/20/521255120.db2.gz IRFCVDGQBCNITL-VAVHGKRESA-N 0 1 397.519 5.077 50 30 GKEAMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000071810549 525438353 /nfs/dbraw/zinc/43/83/53/525438353.db2.gz FVUNBNGPEMZTBW-CYBMUJFWSA-N 0 1 399.397 5.595 50 30 GKEAMN Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)oc2c1 ZINC000100501522 526242320 /nfs/dbraw/zinc/24/23/20/526242320.db2.gz JUKZVJGLLXVLHL-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647372 526251748 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CCOc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000002366610 570284663 /nfs/dbraw/zinc/28/46/63/570284663.db2.gz ONMNLXSARRAYGC-HYARGMPZSA-N 0 1 380.517 5.186 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000004899353 570358651 /nfs/dbraw/zinc/35/86/51/570358651.db2.gz XAXZJBPFFIGWMZ-ARGSHCIWSA-N 0 1 393.556 5.328 50 30 GKEAMN Cc1sc(N=NCc2cc(Cl)cc(Cl)c2O)nc1-c1ccccc1 ZINC000004617005 570387920 /nfs/dbraw/zinc/38/79/20/570387920.db2.gz FJMIUDWXBBTDML-AWQFTUOYSA-N 0 1 378.284 5.577 50 30 GKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000004663272 570390708 /nfs/dbraw/zinc/39/07/08/570390708.db2.gz SFQFBJZKEKZFRQ-QHCPKHFHSA-N 0 1 394.902 5.647 50 30 GKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000012362610 570391799 /nfs/dbraw/zinc/39/17/99/570391799.db2.gz XUOIIRCUNOAKSC-IFRROFPPSA-N 0 1 382.505 6.790 50 30 GKEAMN Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)cc1 ZINC000004747089 570402066 /nfs/dbraw/zinc/40/20/66/570402066.db2.gz JKPNFIOHOVIGIE-IBVKSMDESA-N 0 1 397.543 6.655 50 30 GKEAMN Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)cc1 ZINC000004747086 570402131 /nfs/dbraw/zinc/40/21/31/570402131.db2.gz JKPNFIOHOVIGIE-FQRUVTKNSA-N 0 1 397.543 6.655 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005059171 570427022 /nfs/dbraw/zinc/42/70/22/570427022.db2.gz WMEHTCWPJURYQK-HXUWFJFHSA-N 0 1 397.902 5.499 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000005175620 570430781 /nfs/dbraw/zinc/43/07/81/570430781.db2.gz FQTVQAFAUZNTAR-XMMPIXPASA-N 0 1 399.494 5.111 50 30 GKEAMN Oc1cc(/N=C/c2ccc(Cl)c(Cl)c2)ccc1-c1nc2ccccc2s1 ZINC000003113879 570444477 /nfs/dbraw/zinc/44/44/77/570444477.db2.gz GKAYRJUTCMZNIO-FOKLQQMPSA-N 0 1 399.302 6.726 50 30 GKEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000005791084 570456933 /nfs/dbraw/zinc/45/69/33/570456933.db2.gz RNPNZCALEQUMML-HYARGMPZSA-N 0 1 380.517 5.186 50 30 GKEAMN CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000003114646 570466447 /nfs/dbraw/zinc/46/64/47/570466447.db2.gz NUGBPKFJXHUKHK-JYQBEENSSA-N 0 1 396.712 6.168 50 30 GKEAMN Cc1ccc2cc(C(=O)C(C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472307 570473603 /nfs/dbraw/zinc/47/36/03/570473603.db2.gz LIUUPRFBNFOKCG-AWEZNQCLSA-N 0 1 389.764 5.101 50 30 GKEAMN Cc1ccc2cc(C(=O)[C@@H](C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472307 570473607 /nfs/dbraw/zinc/47/36/07/570473607.db2.gz LIUUPRFBNFOKCG-AWEZNQCLSA-N 0 1 389.764 5.101 50 30 GKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)c1 ZINC000005900808 570500848 /nfs/dbraw/zinc/50/08/48/570500848.db2.gz PXCPAOHFDNMOTK-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 ZINC000003084968 570502779 /nfs/dbraw/zinc/50/27/79/570502779.db2.gz LZNAHVUJMHKTAU-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000006620728 570506027 /nfs/dbraw/zinc/50/60/27/570506027.db2.gz BHLSWCHAQCHCNV-OAQYLSRUSA-N 0 1 377.484 5.154 50 30 GKEAMN CCCCCCCCCCCCOCN1c2cc(C)c(C)cc2N2CCN=C12 ZINC000008386673 570530671 /nfs/dbraw/zinc/53/06/71/570530671.db2.gz FIAWJVOXBPIUEP-UHFFFAOYSA-N 0 1 385.596 6.194 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000003066580 570533960 /nfs/dbraw/zinc/53/39/60/570533960.db2.gz SNNFTVNOZZRTTN-AUEPDCJTSA-N 0 1 384.222 5.653 50 30 GKEAMN CCC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000036093478 570535548 /nfs/dbraw/zinc/53/55/48/570535548.db2.gz AXNFSPPJHCLVRS-DZRHBTRISA-N 0 1 387.508 5.084 50 30 GKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000006720439 570548627 /nfs/dbraw/zinc/54/86/27/570548627.db2.gz YKWHPSNUNRIVCP-QFIPXVFZSA-N 0 1 380.513 5.445 50 30 GKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000006720434 570548646 /nfs/dbraw/zinc/54/86/46/570548646.db2.gz UBEMHKNYXHUKAX-XMMPIXPASA-N 0 1 392.474 5.523 50 30 GKEAMN C=CCC(O)(CC=C)c1ccc(CN(CCCOC)Cc2ccc(C)s2)o1 ZINC000036154592 570553189 /nfs/dbraw/zinc/55/31/89/570553189.db2.gz GCLZJCXWCAEDIW-UHFFFAOYSA-N 0 1 389.561 5.028 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(CCC)Cc2ccc(OC)c(OC)c2)o1 ZINC000036156217 570553519 /nfs/dbraw/zinc/55/35/19/570553519.db2.gz LCCDPJLGHFTFHV-UHFFFAOYSA-N 0 1 399.531 5.049 50 30 GKEAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733052 570557389 /nfs/dbraw/zinc/55/73/89/570557389.db2.gz JAMLEQAGFFRITG-FQEVSTJZSA-N 0 1 383.495 5.586 50 30 GKEAMN C=CC[N-]C(=S)[NH+]=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000005446704 570595607 /nfs/dbraw/zinc/59/56/07/570595607.db2.gz XRSWQKQHLSCFCZ-UHFFFAOYSA-N 0 1 398.601 5.629 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1sccc1C ZINC000005452226 570597823 /nfs/dbraw/zinc/59/78/23/570597823.db2.gz BEWGLMAZVOCWGG-HXUWFJFHSA-N 0 1 380.513 5.219 50 30 GKEAMN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000005519552 570622883 /nfs/dbraw/zinc/62/28/83/570622883.db2.gz ROCZVFPCQCMNHX-YDZHTSKRSA-N 0 1 393.899 5.975 50 30 GKEAMN Clc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000005519552 570622887 /nfs/dbraw/zinc/62/28/87/570622887.db2.gz ROCZVFPCQCMNHX-YDZHTSKRSA-N 0 1 393.899 5.975 50 30 GKEAMN O=C(Cc1c(Cl)cccc1Cl)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000012974508 570733940 /nfs/dbraw/zinc/73/39/40/570733940.db2.gz UQOZGBKSTQIQLL-UHFFFAOYSA-N 0 1 393.299 5.235 50 30 GKEAMN ClC(/C=N/N1CCN(Cc2cccc3ccccc32)CC1)=C/c1ccccc1 ZINC000013617479 570763297 /nfs/dbraw/zinc/76/32/97/570763297.db2.gz UDYPPZIJZOYFEZ-KWCUAYMTSA-N 0 1 389.930 5.223 50 30 GKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000005900453 570802048 /nfs/dbraw/zinc/80/20/48/570802048.db2.gz QWRMVDKTQPTDPE-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000005900406 570802105 /nfs/dbraw/zinc/80/21/05/570802105.db2.gz ONGOWUNTCGULTL-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1CN1CCCC1 ZINC000013096672 570821749 /nfs/dbraw/zinc/82/17/49/570821749.db2.gz XRNHTQQOHSELDI-VQHVLOKHSA-N 0 1 390.310 5.494 50 30 GKEAMN CC(=NNc1c(Cl)cncc1Cl)c1sc2ccc(Cl)cc2c1C ZINC000004587191 570921845 /nfs/dbraw/zinc/92/18/45/570921845.db2.gz DTKNMIQVOOJDFS-ZVBGSRNCSA-N 0 1 384.719 6.401 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cccc2c(-c3ccccc3)ccnc12 ZINC000254702436 570934714 /nfs/dbraw/zinc/93/47/14/570934714.db2.gz ZLLMKXDQRLPXBW-UHFFFAOYSA-N 0 1 393.273 6.665 50 30 GKEAMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000006196175 570937145 /nfs/dbraw/zinc/93/71/45/570937145.db2.gz KKEQTWVNCXYOGT-OEAKJJBVSA-N 0 1 390.899 5.810 50 30 GKEAMN Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1-c1nc2ncccc2o1 ZINC000001303379 570956976 /nfs/dbraw/zinc/95/69/76/570956976.db2.gz XTQGWUCIOGLMPP-YSURURNPSA-N 0 1 398.249 5.961 50 30 GKEAMN O=C1c2ccccc2[C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000001408923 570985182 /nfs/dbraw/zinc/98/51/82/570985182.db2.gz UGOMBOCOCASTDK-LFVRLGFBSA-N 0 1 398.487 5.276 50 30 GKEAMN O=C1c2ccccc2[C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000001408925 570985205 /nfs/dbraw/zinc/98/52/05/570985205.db2.gz UGOMBOCOCASTDK-PSLXWICFSA-N 0 1 398.487 5.276 50 30 GKEAMN Fc1ccc(-c2nc3ccc(N=Cc4ccc(Br)cc4)cc3[nH]2)cc1 ZINC000252588837 570997739 /nfs/dbraw/zinc/99/77/39/570997739.db2.gz AESAVIBQJBTFJV-UHFFFAOYSA-N 0 1 394.247 5.882 50 30 GKEAMN O=C1c2ccccc2C2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Sc1ccccc1N2 ZINC000002200680 570998936 /nfs/dbraw/zinc/99/89/36/570998936.db2.gz DYBGTOGVAYUSGH-JOCHJYFZSA-N 0 1 386.432 5.461 50 30 GKEAMN CCOc1cccc(C=Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000252598948 571004642 /nfs/dbraw/zinc/00/46/42/571004642.db2.gz DFFCBFZAEMITAR-UHFFFAOYSA-N 0 1 388.423 5.364 50 30 GKEAMN N#C[C@@H](C(=O)c1cccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000084598246 571026028 /nfs/dbraw/zinc/02/60/28/571026028.db2.gz VDVBRMAHFMLSDR-INIZCTEOSA-N 0 1 396.393 5.958 50 30 GKEAMN N#CC(C(=O)c1cccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000084598246 571026030 /nfs/dbraw/zinc/02/60/30/571026030.db2.gz VDVBRMAHFMLSDR-INIZCTEOSA-N 0 1 396.393 5.958 50 30 GKEAMN Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682389 571028197 /nfs/dbraw/zinc/02/81/97/571028197.db2.gz FAPKWGFGBLBQRP-YZSQISJMSA-N 0 1 387.914 5.062 50 30 GKEAMN CC(/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000019682397 571028215 /nfs/dbraw/zinc/02/82/15/571028215.db2.gz CUYZFUYCEZRIGY-QGFLBYHTSA-N 0 1 393.534 5.463 50 30 GKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018276102 210220217 /nfs/dbraw/zinc/22/02/17/210220217.db2.gz DINDKYCVVXFCMR-QHCPKHFHSA-N 0 1 378.447 5.133 50 30 GKEAMN Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1-c1nc2ccccc2o1 ZINC000004549235 209496038 /nfs/dbraw/zinc/49/60/38/209496038.db2.gz AJNCAKOAWGCRCQ-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN Oc1cc(/N=C/c2cccc(Cl)c2Cl)ccc1-c1nc2ccccc2s1 ZINC000001885097 209341008 /nfs/dbraw/zinc/34/10/08/209341008.db2.gz MNNJJPOFUFUNQT-FOKLQQMPSA-N 0 1 399.302 6.726 50 30 GKEAMN Oc1cc(/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1-c1nc2ccccc2o1 ZINC000001431083 212245289 /nfs/dbraw/zinc/24/52/89/212245289.db2.gz VGGNIRQYYHNDAK-VULFUBBASA-N 0 1 398.393 6.350 50 30 GKEAMN C=CCn1c(=O)c2c(-c3ccc(Oc4ccccc4)cc3)csc2[nH]c1=S ZINC000000707074 212099381 /nfs/dbraw/zinc/09/93/81/212099381.db2.gz TXTGCTKPQONCMX-UHFFFAOYSA-N 0 1 392.505 5.766 50 30 GKEAMN Oc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000002235731 203932635 /nfs/dbraw/zinc/93/26/35/203932635.db2.gz JCNXZQHIGXHDMU-SRZZPIQSSA-N 0 1 380.860 5.002 50 30 GKEAMN Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C32)cc1 ZINC000004747081 204073445 /nfs/dbraw/zinc/07/34/45/204073445.db2.gz JKPNFIOHOVIGIE-RXFWQSSRSA-N 0 1 397.543 6.655 50 30 GKEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004889073 204086811 /nfs/dbraw/zinc/08/68/11/204086811.db2.gz WZFBIWBNUYIZAU-JIIKEMMSSA-N 0 1 393.537 5.145 50 30 GKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000005900422 204157402 /nfs/dbraw/zinc/15/74/02/204157402.db2.gz PCEGBOJMGIVXDS-HYARGMPZSA-N 0 1 380.517 5.186 50 30 GKEAMN N#Cc1ccccc1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000006222392 204170973 /nfs/dbraw/zinc/17/09/73/204170973.db2.gz DKQPDBWDRIWDAL-ZVHZXABRSA-N 0 1 384.464 5.193 50 30 GKEAMN N#Cc1ccccc1COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000006222392 204170978 /nfs/dbraw/zinc/17/09/78/204170978.db2.gz DKQPDBWDRIWDAL-ZVHZXABRSA-N 0 1 384.464 5.193 50 30 GKEAMN Cc1ccsc1[C@@H]1c2c(C)n[nH]c2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018200082 207096071 /nfs/dbraw/zinc/09/60/71/207096071.db2.gz VAZIIDINXXEBRI-KZULUSFZSA-N 0 1 381.526 5.108 50 30 GKEAMN N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000027994417 207332893 /nfs/dbraw/zinc/33/28/93/207332893.db2.gz UVRSOPLOKVOQRC-GOSISDBHSA-N 0 1 396.878 5.099 50 30 GKEAMN CCc1ccc(/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005809633 220901071 /nfs/dbraw/zinc/90/10/71/220901071.db2.gz FFPNZQMJEHZIDU-INIZCTEOSA-N 0 1 379.312 5.018 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1sccc1C ZINC000018244469 221391478 /nfs/dbraw/zinc/39/14/78/221391478.db2.gz MCUZOIXXLQXJBK-OAQYLSRUSA-N 0 1 394.540 5.610 50 30 GKEAMN N#Cc1ccc(COCC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000077191698 222275936 /nfs/dbraw/zinc/27/59/36/222275936.db2.gz RZRMRJPFWZGMIZ-UHFFFAOYSA-N 0 1 388.433 5.006 50 30 GKEAMN C=CCC(O)(CC=C)c1ccc(CN(CCC)Cc2cc(OC)cc(OC)c2)o1 ZINC000036167631 518687240 /nfs/dbraw/zinc/68/72/40/518687240.db2.gz RUQYUAFVJOKXEB-UHFFFAOYSA-N 0 1 399.531 5.049 50 30 GKEAMN C=CCC[C@H](O)CN(CC=C)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000035840742 518722998 /nfs/dbraw/zinc/72/29/98/518722998.db2.gz MJBOLSJCYUVEPZ-DEOSSOPVSA-N 0 1 380.576 5.149 50 30 GKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000005833497 519008357 /nfs/dbraw/zinc/00/83/57/519008357.db2.gz KULJHHVXYYYLFI-NXUONHHFSA-N 0 1 396.947 6.019 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000018116155 519640640 /nfs/dbraw/zinc/64/06/40/519640640.db2.gz RLXIKKSMSXZEAZ-IQGLISFBSA-N 0 1 398.462 5.200 50 30 GKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)c1 ZINC000005859390 519782169 /nfs/dbraw/zinc/78/21/69/519782169.db2.gz JCSJNOJHOWFMNN-OEAKJJBVSA-N 0 1 394.544 5.575 50 30 GKEAMN CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000097998481 520012195 /nfs/dbraw/zinc/01/21/95/520012195.db2.gz ARVUDIQYNJVQIW-UHFFFAOYSA-N 0 1 382.544 6.923 50 30 GKEAMN CCCCCCC[C@@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000033356809 520068664 /nfs/dbraw/zinc/06/86/64/520068664.db2.gz ZGWKWYBWSAEONU-CLJLJLNGSA-N 0 1 395.587 5.351 50 30 GKEAMN CCOc1ccc(C=NNc2nc(-c3ccc(C)cc3)nc3ccccc32)c(O)c1 ZINC000004989718 520853601 /nfs/dbraw/zinc/85/36/01/520853601.db2.gz IPDNQLPBFQNKCL-MFKUBSTISA-N 0 1 398.466 5.156 50 30 GKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000033958467 520883328 /nfs/dbraw/zinc/88/33/28/520883328.db2.gz ZKOIYNGHGWITNY-LPYMAVHISA-N 0 1 384.936 5.756 50 30 GKEAMN CCOc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1O ZINC000100505562 521317458 /nfs/dbraw/zinc/31/74/58/521317458.db2.gz VVNJTWVTJMGSFC-ZMOGYAJESA-N 0 1 388.423 5.364 50 30 GKEAMN COC(=O)c1ccc(/C=N\c2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000003113215 521939359 /nfs/dbraw/zinc/93/93/59/521939359.db2.gz JNXSRPDGSSWNDD-CFRMEGHHSA-N 0 1 386.407 5.046 50 30 biogenic GKEAMN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000082068214 522403504 /nfs/dbraw/zinc/40/35/04/522403504.db2.gz XQHREBADPHVERH-GOSISDBHSA-N 0 1 396.840 5.956 50 30 GKEAMN CN(CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000012658984 522417616 /nfs/dbraw/zinc/41/76/16/522417616.db2.gz VSJACZVSLVSJHV-KTIWRFAQSA-N 0 1 389.539 5.219 50 30 biogenic GKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647369 524115420 /nfs/dbraw/zinc/11/54/20/524115420.db2.gz BCLDHZFTYVFEKU-VUZLNAKASA-N 0 1 389.451 5.129 50 30 biogenic GKEAMN Cc1cc(C)cc(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000086040695 524360055 /nfs/dbraw/zinc/36/00/55/524360055.db2.gz NFDYHGGWOCNUOT-QGMBQPNBSA-N 0 1 383.083 5.285 50 30 GKEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000006208398 525008585 /nfs/dbraw/zinc/00/85/85/525008585.db2.gz XTJAWOMHKNYXBH-HZHRSRAPSA-N 0 1 386.480 5.591 50 30 GKEAMN Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2C=Nc2ccc(C)c(C)c2)cc1 ZINC000100143797 525669240 /nfs/dbraw/zinc/66/92/40/525669240.db2.gz JYYFHUAVQCGTHB-WGOQTCKBSA-N 0 1 397.547 6.904 50 30 GKEAMN CSc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012371903 525950897 /nfs/dbraw/zinc/95/08/97/525950897.db2.gz WZCWFYFPLITGMZ-ITYLOYPMSA-N 0 1 399.563 5.130 50 30 GKEAMN Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1ccco1 ZINC000059477045 526099140 /nfs/dbraw/zinc/09/91/40/526099140.db2.gz LASBWKNDZQEZPU-LSHDLFTRSA-N 0 1 389.238 5.603 50 30 GKEAMN COc1cccc(OC)c1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000001452415 526214852 /nfs/dbraw/zinc/21/48/52/526214852.db2.gz KZOPJJWLTHJNFB-YDZHTSKRSA-N 0 1 390.464 5.437 50 30 GKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1Cl ZINC000100454384 526322934 /nfs/dbraw/zinc/32/29/34/526322934.db2.gz QUDHORHEMHURQB-REZTVBANSA-N 0 1 389.474 5.321 50 30 GKEAMN N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000095465133 526484735 /nfs/dbraw/zinc/48/47/35/526484735.db2.gz BWWGEWCVJYNQOR-MSOLQXFVSA-N 0 1 392.890 5.195 50 30 GKEAMN Clc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1Cl ZINC000019773325 526938713 /nfs/dbraw/zinc/93/87/13/526938713.db2.gz WPNYFRYAGLBHFJ-MFKUBSTISA-N 0 1 398.337 5.298 50 30 GKEAMN Clc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000005614611 526951757 /nfs/dbraw/zinc/95/17/57/526951757.db2.gz DLFCPLXYCASBHU-YDZHTSKRSA-N 0 1 376.847 5.241 50 30 GKEAMN Clc1ccc(COc2ccccc2CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000005614611 526951762 /nfs/dbraw/zinc/95/17/62/526951762.db2.gz DLFCPLXYCASBHU-YDZHTSKRSA-N 0 1 376.847 5.241 50 30 GKEAMN O=[N+]([O-])c1cccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000103612672 527384382 /nfs/dbraw/zinc/38/43/82/527384382.db2.gz PKEKGCFVVWWNNF-CIAFOILYSA-N 0 1 375.409 5.328 50 30 GKEAMN FC(F)(F)c1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019773216 527686779 /nfs/dbraw/zinc/68/67/79/527686779.db2.gz GVKUGPCEFUYALX-JVWAILMASA-N 0 1 397.444 5.010 50 30 GKEAMN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000004618458 560198685 /nfs/dbraw/zinc/19/86/85/560198685.db2.gz XOEFQGQIXMPRIN-ASPMUGLBSA-N 0 1 398.506 5.029 50 30 biogenic,in-vitro GKEAMN COc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc32)c1 ZINC000000721859 570220470 /nfs/dbraw/zinc/22/04/70/570220470.db2.gz JTLGUPZTFNVZHJ-WGOQTCKBSA-N 0 1 396.446 5.557 50 30 GKEAMN CCCCCCCCCc1ccc(-c2ccc(Br)cc2O)nc1 ZINC000002921614 570318448 /nfs/dbraw/zinc/31/84/48/570318448.db2.gz QQHJFDUAOLCTLM-UHFFFAOYSA-N 0 1 376.338 6.510 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000003022832 570326481 /nfs/dbraw/zinc/32/64/81/570326481.db2.gz JRDQYUKDHDFUGR-FOKLQQMPSA-N 0 1 399.302 6.726 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O ZINC000004889304 570356615 /nfs/dbraw/zinc/35/66/15/570356615.db2.gz QLLCMZWNKQTBTK-LSIOVLHASA-N 0 1 393.556 5.328 50 30 GKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000004898497 570358390 /nfs/dbraw/zinc/35/83/90/570358390.db2.gz ANHBODYUXROSCJ-PTHMFHIQSA-N 0 1 387.508 5.084 50 30 GKEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899326 570358636 /nfs/dbraw/zinc/35/86/36/570358636.db2.gz AXNFSPPJHCLVRS-ARGSHCIWSA-N 0 1 387.508 5.084 50 30 GKEAMN CC(C)(C)c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1O ZINC000004154954 570360156 /nfs/dbraw/zinc/36/01/56/570360156.db2.gz CRYWTFPRJLPGPF-BHGWPJFGSA-N 0 1 394.342 6.750 50 30 GKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)cc(Cl)c1O ZINC000004300166 570366512 /nfs/dbraw/zinc/36/65/12/570366512.db2.gz PPDWFAOYFZQHGN-CGOBSMCZSA-N 0 1 382.049 5.981 50 30 GKEAMN Cc1cccc(Cn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000001854864 570437497 /nfs/dbraw/zinc/43/74/97/570437497.db2.gz ITUSGPDKBZJQSN-AFUMVMLFSA-N 0 1 396.519 5.476 50 30 GKEAMN Cc1cccc(Cn2cc(C=[NH+][N-]c3nc4ccccc4s3)c3ccccc32)c1 ZINC000001854864 570437501 /nfs/dbraw/zinc/43/75/01/570437501.db2.gz ITUSGPDKBZJQSN-AFUMVMLFSA-N 0 1 396.519 5.476 50 30 GKEAMN Cc1ccccc1Cn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001862851 570438088 /nfs/dbraw/zinc/43/80/88/570438088.db2.gz CIHDKOBFNZHWJO-AFUMVMLFSA-N 0 1 396.519 5.476 50 30 GKEAMN Cc1ccccc1Cn1cc(C=[NH+][N-]c2nc3ccccc3s2)c2ccccc21 ZINC000001862851 570438090 /nfs/dbraw/zinc/43/80/90/570438090.db2.gz CIHDKOBFNZHWJO-AFUMVMLFSA-N 0 1 396.519 5.476 50 30 GKEAMN CC(C=Nn1c(=S)[nH]nc1-c1ccc(Cl)cc1Cl)=Cc1ccccc1 ZINC000005665307 570450553 /nfs/dbraw/zinc/45/05/53/570450553.db2.gz JQXDYQFTWGWCPV-XKPLIGQOSA-N 0 1 389.311 5.852 50 30 GKEAMN CC(C)(C)c1ccc(-c2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000011999917 570453247 /nfs/dbraw/zinc/45/32/47/570453247.db2.gz BYJZWGFYDVSTNJ-UHFFFAOYSA-N 0 1 393.487 5.450 50 30 GKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)c1 ZINC000005932609 570462115 /nfs/dbraw/zinc/46/21/15/570462115.db2.gz XHDZUKZLJPHTTL-HZHRSRAPSA-N 0 1 386.480 5.165 50 30 GKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC000006720406 570490311 /nfs/dbraw/zinc/49/03/11/570490311.db2.gz CNUZLGKGRBBDMD-DEOSSOPVSA-N 0 1 390.483 5.002 50 30 GKEAMN C=CC[NH+](CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1ccccc1C ZINC000005182766 570496717 /nfs/dbraw/zinc/49/67/17/570496717.db2.gz AYZRRYAALQGXSE-UHFFFAOYSA-N 0 1 390.483 5.182 50 30 GKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)c1 ZINC000005900798 570500834 /nfs/dbraw/zinc/50/08/34/570500834.db2.gz IUPWPYFSANLDRL-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000003090314 570502787 /nfs/dbraw/zinc/50/27/87/570502787.db2.gz WATIUFORRGZUBG-FOKLQQMPSA-N 0 1 399.302 6.726 50 30 GKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000006358028 570541963 /nfs/dbraw/zinc/54/19/63/570541963.db2.gz ANHBODYUXROSCJ-LSIOVLHASA-N 0 1 387.508 5.084 50 30 GKEAMN O=C1CCCC2=C1[C@@H](c1cccs1)c1c(n[nH]c1-c1ccc(Cl)cc1)N2 ZINC000006733072 570557407 /nfs/dbraw/zinc/55/74/07/570557407.db2.gz LQSIRMNCUPPIBK-QGZVFWFLSA-N 0 1 381.888 5.356 50 30 GKEAMN CC(C)(C)c1ccc(-c2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 ZINC000167669168 570714942 /nfs/dbraw/zinc/71/49/42/570714942.db2.gz VUZBEMNOFGZIRW-UHFFFAOYSA-N 0 1 378.863 5.003 50 30 GKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004475661 570794307 /nfs/dbraw/zinc/79/43/07/570794307.db2.gz ZKOIYNGHGWITNY-UHFFFAOYSA-N 0 1 384.936 5.756 50 30 GKEAMN O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000005671472 570796700 /nfs/dbraw/zinc/79/67/00/570796700.db2.gz UXPGXJRXNXZJNI-FUGRWSRWSA-N 0 1 385.088 5.738 50 30 GKEAMN Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197794 570809556 /nfs/dbraw/zinc/80/95/56/570809556.db2.gz AQQLIJICJLICLL-YJYMSZOUSA-N 0 1 395.915 5.391 50 30 GKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018276103 570812817 /nfs/dbraw/zinc/81/28/17/570812817.db2.gz DINDKYCVVXFCMR-HSZRJFAPSA-N 0 1 378.447 5.133 50 30 GKEAMN COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc21 ZINC000001228548 570884048 /nfs/dbraw/zinc/88/40/48/570884048.db2.gz FVIPMDTYHCFZGU-WGOQTCKBSA-N 0 1 396.446 5.557 50 30 GKEAMN N#Cc1c(=O)[nH]c(SCc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000004024984 570900134 /nfs/dbraw/zinc/90/01/34/570900134.db2.gz ATFOXCZQSXAQSV-UHFFFAOYSA-N 0 1 388.279 5.320 50 30 GKEAMN CN(CC#C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000004027752 570907456 /nfs/dbraw/zinc/90/74/56/570907456.db2.gz VSJACZVSLVSJHV-QIGHUWCUSA-N 0 1 389.539 5.219 50 30 biogenic GKEAMN COC(=O)c1ccc(N=NC(N=Nc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000015938253 570909793 /nfs/dbraw/zinc/90/97/93/570909793.db2.gz PBEQCAJBTWMULP-NANGTYGOSA-N 0 1 399.410 5.172 50 30 GKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000012652096 570947233 /nfs/dbraw/zinc/94/72/33/570947233.db2.gz RIMQJJWQKLWGME-HSZRJFAPSA-N 0 1 388.511 5.486 50 30 GKEAMN O=[N+]([O-])c1ccc(N=NC(=NNc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004765603 570971733 /nfs/dbraw/zinc/97/17/33/570971733.db2.gz CAVOFCFJPWOVKO-YMGPPEANSA-N 0 1 390.359 5.061 50 30 GKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/C1CCCCCC1)CCCC3 ZINC000004806200 570996160 /nfs/dbraw/zinc/99/61/60/570996160.db2.gz HMAFEQLXFOKXTO-WSDLNYQXSA-N 0 1 390.321 5.921 50 30 GKEAMN C=CCc1cc(OC)ccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002205532 571003310 /nfs/dbraw/zinc/00/33/10/571003310.db2.gz ADGWELYSKWONGI-UHFFFAOYSA-N 0 1 384.435 5.532 50 30 GKEAMN Cc1ccc(N=Cc2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc32)cc1 ZINC000252607330 571007374 /nfs/dbraw/zinc/00/73/74/571007374.db2.gz HAPUYTGUZXSYLM-UHFFFAOYSA-N 0 1 394.474 6.165 50 30 GKEAMN Clc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682394 571028262 /nfs/dbraw/zinc/02/82/62/571028262.db2.gz MJISSXIFFMUCTA-YZSQISJMSA-N 0 1 387.914 5.062 50 30 GKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000002588857 209369779 /nfs/dbraw/zinc/36/97/79/209369779.db2.gz OGBFWWWIFVISIH-HZHRSRAPSA-N 0 1 392.528 5.450 50 30 GKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(Cl)c1Cl ZINC000001435307 209327584 /nfs/dbraw/zinc/32/75/84/209327584.db2.gz CEUASCJVNXXRSI-NGYBGAFCSA-N 0 1 379.468 5.866 50 30 GKEAMN CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000001027986 209290276 /nfs/dbraw/zinc/29/02/76/209290276.db2.gz AMDIHGYSLBYPJJ-GIJQJNRQSA-N 0 1 399.082 5.067 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000000755429 209263574 /nfs/dbraw/zinc/26/35/74/209263574.db2.gz YJMCFHMGAFSNCD-AUEPDCJTSA-N 0 1 384.222 5.653 50 30 GKEAMN C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C ZINC000004794315 212080279 /nfs/dbraw/zinc/08/02/79/212080279.db2.gz BJBYYKWAEBDHMM-UHFFFAOYSA-N 0 1 398.472 6.052 50 30 GKEAMN Fc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000004974129 204098094 /nfs/dbraw/zinc/09/80/94/204098094.db2.gz PMURFKZFVBDTJR-YDZHTSKRSA-N 0 1 377.444 5.460 50 30 GKEAMN Fc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000004974129 204098100 /nfs/dbraw/zinc/09/81/00/204098100.db2.gz PMURFKZFVBDTJR-YDZHTSKRSA-N 0 1 377.444 5.460 50 30 GKEAMN CC(=NNc1nc2ccccc2s1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000004974061 204098699 /nfs/dbraw/zinc/09/86/99/204098699.db2.gz XSALZWDWAAROQM-MFKUBSTISA-N 0 1 386.480 5.385 50 30 GKEAMN CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000005862643 204153706 /nfs/dbraw/zinc/15/37/06/204153706.db2.gz NEWJDOMSZYYCAM-MRXNPFEDSA-N 0 1 393.339 5.579 50 30 GKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)c1 ZINC000005900762 204156976 /nfs/dbraw/zinc/15/69/76/204156976.db2.gz YTVAFFSOCOEKMK-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000006720433 204194893 /nfs/dbraw/zinc/19/48/93/204194893.db2.gz UBEMHKNYXHUKAX-DEOSSOPVSA-N 0 1 392.474 5.523 50 30 GKEAMN C=CCc1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000005562581 209141124 /nfs/dbraw/zinc/14/11/24/209141124.db2.gz BDVSKISMAFLZNC-UHFFFAOYSA-N 0 1 384.435 5.532 50 30 GKEAMN Cn1cc(-c2nc3ccc(C#N)cc3[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072478643 205353704 /nfs/dbraw/zinc/35/37/04/205353704.db2.gz YGQZWCJUPCXAIA-UHFFFAOYSA-N 0 1 391.434 5.294 50 30 GKEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000005932557 206634163 /nfs/dbraw/zinc/63/41/63/206634163.db2.gz VNQLLRPXLLUHIA-WSDLNYQXSA-N 0 1 394.887 5.305 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000005175618 220840127 /nfs/dbraw/zinc/84/01/27/220840127.db2.gz FQTVQAFAUZNTAR-DEOSSOPVSA-N 0 1 399.494 5.111 50 30 GKEAMN CC(C)(C)c1ccc(-c2nc(SCc3ccccc3F)[nH]c(=O)c2C#N)cc1 ZINC000011999919 221142161 /nfs/dbraw/zinc/14/21/61/221142161.db2.gz FOCSUJGRAYVLQU-UHFFFAOYSA-N 0 1 393.487 5.450 50 30 GKEAMN Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c(Cl)c4)ccc3O)oc2c1 ZINC000018178405 221388323 /nfs/dbraw/zinc/38/83/23/221388323.db2.gz ZYXYIQDDHUFKII-MYKKPKGFSA-N 0 1 397.261 6.566 50 30 GKEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000020103415 518449758 /nfs/dbraw/zinc/44/97/58/518449758.db2.gz VRJUIKWCIPCTJR-HFTWOUSFSA-N 0 1 393.534 5.535 50 30 GKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1cccc2ccccc21 ZINC000025782145 518458856 /nfs/dbraw/zinc/45/88/56/518458856.db2.gz HBXSSTCLTDYULX-SGWCAAJKSA-N 0 1 393.534 5.535 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000036203232 518587505 /nfs/dbraw/zinc/58/75/05/518587505.db2.gz DQUIIVKBPMEPCK-JOCHJYFZSA-N 0 1 395.543 5.109 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2OC)[C@@H](C)CC)o1 ZINC000036167801 518587641 /nfs/dbraw/zinc/58/76/41/518587641.db2.gz XMSXBDNJFMGMHA-IBGZPJMESA-N 0 1 383.532 5.429 50 30 GKEAMN C=CCC(O)(CC=C)c1ccc(CN(Cc2ccccc2OC)CC(C)C)o1 ZINC000036167820 518689005 /nfs/dbraw/zinc/68/90/05/518689005.db2.gz XVGLBSHPWXLOLW-UHFFFAOYSA-N 0 1 383.532 5.286 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)cc2)C2CC2)o1 ZINC000036202819 518696134 /nfs/dbraw/zinc/69/61/34/518696134.db2.gz DZULZRCCYLWJPV-UHFFFAOYSA-N 0 1 379.544 5.873 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2ccccc2OC)o1 ZINC000036167853 518697192 /nfs/dbraw/zinc/69/71/92/518697192.db2.gz AKSIZAMLXZQYPP-UHFFFAOYSA-N 0 1 397.559 5.820 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000018116161 519640225 /nfs/dbraw/zinc/64/02/25/519640225.db2.gz RLXIKKSMSXZEAZ-AVRWGWEMSA-N 0 1 398.462 5.200 50 30 GKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1 ZINC000009264265 519640977 /nfs/dbraw/zinc/64/09/77/519640977.db2.gz FKJISGVXKYVBPV-IQGLISFBSA-N 0 1 398.462 5.200 50 30 GKEAMN CCCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021356196 519928132 /nfs/dbraw/zinc/92/81/32/519928132.db2.gz NUEBOENFNWHQQU-QHCPKHFHSA-N 0 1 394.540 5.835 50 30 GKEAMN CCCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021356202 519928147 /nfs/dbraw/zinc/92/81/47/519928147.db2.gz NUEBOENFNWHQQU-HSZRJFAPSA-N 0 1 394.540 5.835 50 30 GKEAMN CCCCCCCCCOCn1c2ccccc2n(Cc2ccccc2)c1=N ZINC000100729029 520029485 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CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000033925439 521254060 /nfs/dbraw/zinc/25/40/60/521254060.db2.gz ZUHJQWILXLUPQH-UHNOWLQGSA-N 0 1 399.947 5.364 50 30 GKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)c1 ZINC000016974411 521312266 /nfs/dbraw/zinc/31/22/66/521312266.db2.gz JZVCFMBYXPVJBD-HYARGMPZSA-N 0 1 380.517 5.186 50 30 GKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005900770 521313604 /nfs/dbraw/zinc/31/36/04/521313604.db2.gz JVHMPCDWNCLQFU-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CC4CCCCC4)ccc3n2)CC1 ZINC000020108647 521696370 /nfs/dbraw/zinc/69/63/70/521696370.db2.gz BJKPAJIARAWNPL-UHFFFAOYSA-N 0 1 394.563 5.244 50 30 GKEAMN CCc1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000100159182 521804912 /nfs/dbraw/zinc/80/49/12/521804912.db2.gz HAPWZEQSOFNAQQ-GIJQJNRQSA-N 0 1 383.083 5.230 50 30 GKEAMN CC[C@H]1CS/C(=N\CCc2ccccc2)N1Cc1ccc(Cl)cc1Cl ZINC000102887171 523353655 /nfs/dbraw/zinc/35/36/55/523353655.db2.gz 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Clc1ccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000032617884 526940268 /nfs/dbraw/zinc/94/02/68/526940268.db2.gz QDHDTIGTKFHBOD-XHPQRKPJSA-N 0 1 389.930 5.081 50 30 GKEAMN Clc1ccccc1COc1ccccc1C=NNc1nc2ccccc2s1 ZINC000005514920 526988851 /nfs/dbraw/zinc/98/88/51/526988851.db2.gz KFFTZPHUPOOXAH-YDZHTSKRSA-N 0 1 393.899 5.975 50 30 GKEAMN FC(F)(F)Oc1ccc(N=CC=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000100388077 527675830 /nfs/dbraw/zinc/67/58/30/527675830.db2.gz HPOQGNPHUPVIGH-SYCYQGBRSA-N 0 1 390.283 5.812 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000051366908 570238444 /nfs/dbraw/zinc/23/84/44/570238444.db2.gz OHQOLFYVGAZDOH-MQBMHJJESA-N 0 1 399.947 5.283 50 30 GKEAMN O=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001467700 570263897 /nfs/dbraw/zinc/26/38/97/570263897.db2.gz CPGOMEAGWOYBAG-CIAFOILYSA-N 0 1 375.409 5.328 50 30 GKEAMN CC(C)c1cc(C(C)C)c(C(C)C)cc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000002158838 570276724 /nfs/dbraw/zinc/27/67/24/570276724.db2.gz MCKQGRQNYCSQFY-OPEKNORGSA-N 0 1 392.370 7.820 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000006149632 570277563 /nfs/dbraw/zinc/27/75/63/570277563.db2.gz REYKGBQOTALLTB-QFIPXVFZSA-N 0 1 391.511 5.462 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000006149619 570277615 /nfs/dbraw/zinc/27/76/15/570277615.db2.gz REYKGBQOTALLTB-JOCHJYFZSA-N 0 1 391.511 5.462 50 30 GKEAMN O=C1c2ccccc2C2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000002420612 570286520 /nfs/dbraw/zinc/28/65/20/570286520.db2.gz QONOCFSDGCFEPR-QFIPXVFZSA-N 0 1 375.880 6.207 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004899218 570358664 /nfs/dbraw/zinc/35/86/64/570358664.db2.gz NGSNJSSGLRAOBF-ANTKNQIZSA-N 0 1 379.529 5.019 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000004899354 570358778 /nfs/dbraw/zinc/35/87/78/570358778.db2.gz XAXZJBPFFIGWMZ-PTHMFHIQSA-N 0 1 393.556 5.328 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000004910641 570363101 /nfs/dbraw/zinc/36/31/01/570363101.db2.gz ZUHJQWILXLUPQH-RDSDJNLHSA-N 0 1 399.947 5.364 50 30 GKEAMN CC(C)(O)C#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004362712 570371017 /nfs/dbraw/zinc/37/10/17/570371017.db2.gz WHVLHSVHBIQKCT-SSDVNMTOSA-N 0 1 381.690 5.215 50 30 GKEAMN C=CCOc1ccc(Br)cc1C=NNc1nc2ccccc2s1 ZINC000004545167 570383302 /nfs/dbraw/zinc/38/33/02/570383302.db2.gz JGIQXKPFWSHWML-YBFXNURJSA-N 0 1 388.290 5.070 50 30 GKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000004550156 570383754 /nfs/dbraw/zinc/38/37/54/570383754.db2.gz XKARAJRSGYUTGF-RUZDIDTESA-N 0 1 388.511 5.692 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000004608393 570387373 /nfs/dbraw/zinc/38/73/73/570387373.db2.gz OIRWWQGCTMWMLA-JOCHJYFZSA-N 0 1 380.875 5.257 50 30 GKEAMN CCCCOc1ccc(C=NN=c2cc(C)[nH]c(NCc3ccccc3)n2)cc1 ZINC000004980540 570389377 /nfs/dbraw/zinc/38/93/77/570389377.db2.gz UXSTXDVLVZFBGI-KOEQRZSOSA-N 0 1 389.503 5.022 50 30 GKEAMN Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C32)cc1 ZINC000004747084 570402116 /nfs/dbraw/zinc/40/21/16/570402116.db2.gz JKPNFIOHOVIGIE-FNZWTVRRSA-N 0 1 397.543 6.655 50 30 GKEAMN Clc1cc(Cl)c(NN=Cc2ccc(Br)cc2)c(Cl)c1 ZINC000004989968 570422008 /nfs/dbraw/zinc/42/20/08/570422008.db2.gz SQKBGRKAPCCBOF-CNHKJKLMSA-N 0 1 378.484 5.855 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000005175256 570430733 /nfs/dbraw/zinc/43/07/33/570430733.db2.gz KJEBBAXEGQXRET-HSZRJFAPSA-N 0 1 392.474 5.379 50 30 GKEAMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 ZINC000001924032 570449946 /nfs/dbraw/zinc/44/99/46/570449946.db2.gz VTLTUYIEKGDLAU-CVKSISIWSA-N 0 1 393.914 6.390 50 30 GKEAMN CC(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000005690138 570451876 /nfs/dbraw/zinc/45/18/76/570451876.db2.gz IAUGONACZZNFGD-OEAKJJBVSA-N 0 1 378.545 5.911 50 30 GKEAMN N#Cc1cccc(C#N)c1-c1nc2c([nH]1)c1ccc(Cl)cc1c1ccccc21 ZINC000029136213 570469286 /nfs/dbraw/zinc/46/92/86/570469286.db2.gz BVFLHOOKHPFDCT-UHFFFAOYSA-N 0 1 378.822 5.933 50 30 in-vitro GKEAMN Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc21 ZINC000003115293 570473189 /nfs/dbraw/zinc/47/31/89/570473189.db2.gz BCBUJIHFDQJUNQ-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN Clc1ccc(Sc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000005201118 570504734 /nfs/dbraw/zinc/50/47/34/570504734.db2.gz ZLPDCGJUOIWMIB-LPYMAVHISA-N 0 1 395.940 6.547 50 30 GKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000008715660 570537841 /nfs/dbraw/zinc/53/78/41/570537841.db2.gz XBXQQIWNHKVBRI-HXUWFJFHSA-N 0 1 395.886 5.251 50 30 GKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000006720440 570548383 /nfs/dbraw/zinc/54/83/83/570548383.db2.gz YKWHPSNUNRIVCP-JOCHJYFZSA-N 0 1 380.513 5.445 50 30 GKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000006720445 570548421 /nfs/dbraw/zinc/54/84/21/570548421.db2.gz KRVKVFIQSBCVEW-QHCPKHFHSA-N 0 1 392.524 5.325 50 30 GKEAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733053 570557283 /nfs/dbraw/zinc/55/72/83/570557283.db2.gz JAMLEQAGFFRITG-HXUWFJFHSA-N 0 1 383.495 5.586 50 30 GKEAMN O=C1CCCC2=C1[C@H](c1cccs1)c1c(n[nH]c1-c1ccc(Cl)cc1)N2 ZINC000006733071 570557345 /nfs/dbraw/zinc/55/73/45/570557345.db2.gz LQSIRMNCUPPIBK-KRWDZBQOSA-N 0 1 381.888 5.356 50 30 GKEAMN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935541 570714147 /nfs/dbraw/zinc/71/41/47/570714147.db2.gz JQTCVTWPSKIYFX-HXUWFJFHSA-N 0 1 399.494 5.286 50 30 GKEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)c1 ZINC000006174181 570914287 /nfs/dbraw/zinc/91/42/87/570914287.db2.gz RHGZVAXCZDZRMI-MFKUBSTISA-N 0 1 394.503 6.105 50 30 GKEAMN CCCCCn1nc(C)c(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1C ZINC000252512190 570982204 /nfs/dbraw/zinc/98/22/04/570982204.db2.gz NYQHAEHRBDTUDG-UHFFFAOYSA-N 0 1 387.742 6.096 50 30 GKEAMN N#CC(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(C(F)(F)F)cn1 ZINC000084576826 571023709 /nfs/dbraw/zinc/02/37/09/571023709.db2.gz KZTVVVBRQLTXSG-MRXNPFEDSA-N 0 1 398.409 5.418 50 30 GKEAMN Cc1ccc(C)c(N=Cc2cc(Br)cc(Br)c2O)c1 ZINC000252624827 571038613 /nfs/dbraw/zinc/03/86/13/571038613.db2.gz PVZRFGFFCGVASZ-UHFFFAOYSA-N 0 1 383.083 5.285 50 30 GKEAMN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1C ZINC000000710839 209262097 /nfs/dbraw/zinc/26/20/97/209262097.db2.gz VTYDZDABSTWKOO-QGMBQPNBSA-N 0 1 383.083 5.285 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000009015337 209249061 /nfs/dbraw/zinc/24/90/61/209249061.db2.gz OPARSPAKYAGGTC-OAQYLSRUSA-N 0 1 395.474 5.293 50 30 GKEAMN Oc1ccccc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000001209249 212229691 /nfs/dbraw/zinc/22/96/91/212229691.db2.gz SQTLEAKPDIJBLY-UFFVCSGVSA-N 0 1 386.245 5.236 50 30 GKEAMN O=C1c2ccccc2C2=C1C(c1ccccc1[N+](=O)[O-])Sc1ccccc1N2 ZINC000001074073 212213790 /nfs/dbraw/zinc/21/37/90/212213790.db2.gz WCZYGSJUTIQWNG-JOCHJYFZSA-N 0 1 386.432 5.461 50 30 GKEAMN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1[N+](=O)[O-])Sc1ccccc1N2 ZINC000001074073 212213794 /nfs/dbraw/zinc/21/37/94/212213794.db2.gz WCZYGSJUTIQWNG-JOCHJYFZSA-N 0 1 386.432 5.461 50 30 GKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000000721228 212177638 /nfs/dbraw/zinc/17/76/38/212177638.db2.gz AEASYVZYAQJXBT-DTKKNGCVSA-N 0 1 395.458 5.178 50 30 GKEAMN C=CCc1cc(C)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000002202879 212100947 /nfs/dbraw/zinc/10/09/47/212100947.db2.gz BDRRMFHKDLUPKC-UHFFFAOYSA-N 0 1 398.462 5.840 50 30 GKEAMN Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000003095306 203985249 /nfs/dbraw/zinc/98/52/49/203985249.db2.gz YSCJAKKQKIHXRE-BRJLIKDPSA-N 0 1 391.776 6.607 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000005175586 204116222 /nfs/dbraw/zinc/11/62/22/204116222.db2.gz IXNQOUFNDHVYJK-QFIPXVFZSA-N 0 1 394.902 5.503 50 30 GKEAMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000006191596 204169824 /nfs/dbraw/zinc/16/98/24/204169824.db2.gz WUEHFTDBRWREKB-UFWORHAWSA-N 0 1 383.691 5.450 50 30 GKEAMN CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005862626 204153907 /nfs/dbraw/zinc/15/39/07/204153907.db2.gz YSLAIIWUSDLCIJ-KRWDZBQOSA-N 0 1 393.339 5.579 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1sccc1C ZINC000005452225 204133732 /nfs/dbraw/zinc/13/37/32/204133732.db2.gz BEWGLMAZVOCWGG-FQEVSTJZSA-N 0 1 380.513 5.219 50 30 GKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000008715461 204286233 /nfs/dbraw/zinc/28/62/33/204286233.db2.gz XBXQQIWNHKVBRI-FQEVSTJZSA-N 0 1 395.886 5.251 50 30 GKEAMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000001496897 206383838 /nfs/dbraw/zinc/38/38/38/206383838.db2.gz FPBPJLBSOYYHHQ-AWQFTUOYSA-N 0 1 382.685 5.562 50 30 GKEAMN N#Cc1c(=O)c2cc(Oc3ccccc3)ccc2[nH]c1SCc1ccccc1 ZINC000101020291 208385606 /nfs/dbraw/zinc/38/56/06/208385606.db2.gz DYWYYOCSURGBFM-UHFFFAOYSA-N 0 1 384.460 5.484 50 30 GKEAMN C(=NNc1nc2ccccc2s1)c1cccn1Cc1cccc2ccccc21 ZINC000001268773 518375731 /nfs/dbraw/zinc/37/57/31/518375731.db2.gz GQQQNOFNEMKQQG-BUVRLJJBSA-N 0 1 382.492 5.167 50 30 GKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccn1Cc1cccc2ccccc21 ZINC000001268773 518375737 /nfs/dbraw/zinc/37/57/37/518375737.db2.gz GQQQNOFNEMKQQG-BUVRLJJBSA-N 0 1 382.492 5.167 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2C)C2CC2)o1 ZINC000036203291 518697762 /nfs/dbraw/zinc/69/77/62/518697762.db2.gz WUWVEDSEXSSEER-UHFFFAOYSA-N 0 1 379.544 5.873 50 30 GKEAMN C=CCCCCCCCCc1nnc(SCCCCCCCCCC)[nH]1 ZINC000097951187 518700445 /nfs/dbraw/zinc/70/04/45/518700445.db2.gz FODKUKHOVAGYBO-UHFFFAOYSA-N 0 1 379.658 7.497 50 30 GKEAMN C=CCCCCCCCCc1n[nH]c(SCCCCCCCCCC)n1 ZINC000097951187 518700452 /nfs/dbraw/zinc/70/04/52/518700452.db2.gz FODKUKHOVAGYBO-UHFFFAOYSA-N 0 1 379.658 7.497 50 30 GKEAMN CC(C)(C)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019773102 519013415 /nfs/dbraw/zinc/01/34/15/519013415.db2.gz UWTJARDNAKLKCS-ZXVVBBHZSA-N 0 1 385.555 5.289 50 30 GKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)c1 ZINC000005789821 519782225 /nfs/dbraw/zinc/78/22/25/519782225.db2.gz DJUUYBNOCLNJFQ-OEAKJJBVSA-N 0 1 388.496 5.430 50 30 GKEAMN CCCCCCCCCCSc1nc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000097954100 520024426 /nfs/dbraw/zinc/02/44/26/520024426.db2.gz UXMVGSMPLBOWQH-UHFFFAOYSA-N 0 1 377.554 5.722 50 30 GKEAMN CCCCCCC[C@@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000033356806 520067848 /nfs/dbraw/zinc/06/78/48/520067848.db2.gz ZGWKWYBWSAEONU-IZZNHLLZSA-N 0 1 395.587 5.351 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000102598145 520077980 /nfs/dbraw/zinc/07/79/80/520077980.db2.gz UBTAMHWCHUNWDY-JBCNATCCSA-N 0 1 395.474 5.136 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O ZINC000005093467 521120471 /nfs/dbraw/zinc/12/04/71/521120471.db2.gz ISUKVHSUZDVZOS-MXWPMSCXSA-N 0 1 385.558 5.081 50 30 GKEAMN CCOc1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000100221241 521450074 /nfs/dbraw/zinc/45/00/74/521450074.db2.gz DLVBKTVWLZHGJL-GIJQJNRQSA-N 0 1 399.082 5.067 50 30 GKEAMN CCSc1ncc(CN=Nc2c(Cl)cc(C(F)(F)F)cc2Cl)n1C ZINC000004002359 521786449 /nfs/dbraw/zinc/78/64/49/521786449.db2.gz NEKVATIRHWNBGP-QPSGOUHRSA-N 0 1 397.253 5.304 50 30 GKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000002239418 525788157 /nfs/dbraw/zinc/78/81/57/525788157.db2.gz LXHLHDRDHCMVKM-HZHRSRAPSA-N 0 1 386.480 5.591 50 30 GKEAMN Cc1ccc(C(C)C)c(OCCn2cc(C=Nc3nnc[nH]3)c3ccccc32)c1 ZINC000006613500 526248310 /nfs/dbraw/zinc/24/83/10/526248310.db2.gz QYPWBLLADDHJQR-ZMOGYAJESA-N 0 1 387.487 5.021 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(I)cc1 ZINC000100003647 526323620 /nfs/dbraw/zinc/32/36/20/526323620.db2.gz RIRDEMSDQQBZSM-REZTVBANSA-N 0 1 392.023 5.054 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N\c1ccccc1-c1nc2ccccc2[nH]1 ZINC000013468504 526325154 /nfs/dbraw/zinc/32/51/54/526325154.db2.gz YHFVYABNYPIRIZ-KSEXSDGBSA-N 0 1 382.250 5.993 50 30 GKEAMN Clc1cccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)c1Cl ZINC000019849100 526973895 /nfs/dbraw/zinc/97/38/95/526973895.db2.gz PUUIXMQXYRGHJH-MFKUBSTISA-N 0 1 398.337 5.298 50 30 GKEAMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000004819943 527359676 /nfs/dbraw/zinc/35/96/76/527359676.db2.gz QUNPHRGMSDRFJU-ZMOGYAJESA-N 0 1 388.402 5.183 50 30 GKEAMN FC(F)(F)Oc1ccc(N=CC=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000100388070 527675446 /nfs/dbraw/zinc/67/54/46/527675446.db2.gz HPOQGNPHUPVIGH-OJQJLEPASA-N 0 1 390.283 5.812 50 30 GKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000002358203 570283846 /nfs/dbraw/zinc/28/38/46/570283846.db2.gz PMRTYMUBLOBNDA-HZHRSRAPSA-N 0 1 386.480 5.165 50 30 GKEAMN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc2ccccc21 ZINC000002594520 570291892 /nfs/dbraw/zinc/29/18/92/570291892.db2.gz NJJZWKLVDRBBJT-MFKUBSTISA-N 0 1 396.519 5.725 50 30 GKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc2ccccc21 ZINC000002594520 570291893 /nfs/dbraw/zinc/29/18/93/570291893.db2.gz 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CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000005900438 204156958 /nfs/dbraw/zinc/15/69/58/204156958.db2.gz SVTOUQJJFVAIRP-KEBDBYFISA-N 0 1 393.299 5.195 50 30 GKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 ZINC000006720407 204194768 /nfs/dbraw/zinc/19/47/68/204194768.db2.gz CNUZLGKGRBBDMD-XMMPIXPASA-N 0 1 390.483 5.002 50 30 GKEAMN FC(F)(F)c1c[nH]c(=NNC(=S)Nc2ccccc2Cl)c(Cl)c1 ZINC000008692230 204283001 /nfs/dbraw/zinc/28/30/01/204283001.db2.gz KXLWGISGAYOVMY-UHFFFAOYSA-N 0 1 381.210 5.132 50 30 GKEAMN C=CCn1c(=O)c2c(-c3ccc(-c4ccccc4)cc3)csc2[nH]c1=S ZINC000001465878 209168344 /nfs/dbraw/zinc/16/83/44/209168344.db2.gz ILKHPPWBPDHONL-UHFFFAOYSA-N 0 1 376.506 5.641 50 30 GKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccco3)ccc21 ZINC000001303400 206371811 /nfs/dbraw/zinc/37/18/11/206371811.db2.gz KZBUOEHKHBZYFV-LPYMAVHISA-N 0 1 387.468 5.211 50 30 GKEAMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000001506213 206384071 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GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCOC)Cc2ccc(C)cc2)o1 ZINC000036157182 518695728 /nfs/dbraw/zinc/69/57/28/518695728.db2.gz URLASOZACPNYRD-UHFFFAOYSA-N 0 1 397.559 5.357 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)o2)CC(C)C)o1 ZINC000036202562 518697858 /nfs/dbraw/zinc/69/78/58/518697858.db2.gz NDGACOMIAAHAKP-UHFFFAOYSA-N 0 1 385.548 5.959 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C(C)C)o1 ZINC000036203617 518698577 /nfs/dbraw/zinc/69/85/77/518698577.db2.gz ONFIHXMXXZQONL-UHFFFAOYSA-N 0 1 387.589 6.180 50 30 GKEAMN C=CCCCCCCCCc1nc(SCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000006780724 518699671 /nfs/dbraw/zinc/69/96/71/518699671.db2.gz UZLQNHDXCDYPAP-UHFFFAOYSA-N 0 1 391.968 5.892 50 30 GKEAMN C=CCCCCCCCCc1n[nH]c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000006780724 518699675 /nfs/dbraw/zinc/69/96/75/518699675.db2.gz UZLQNHDXCDYPAP-UHFFFAOYSA-N 0 1 391.968 5.892 50 30 GKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000009264264 519640940 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CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102597612 520078077 /nfs/dbraw/zinc/07/80/77/520078077.db2.gz XKPCQJTUBWZDMF-JBCNATCCSA-N 0 1 395.474 5.136 50 30 GKEAMN CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000100163555 520813320 /nfs/dbraw/zinc/81/33/20/520813320.db2.gz WETLHCJOVDJFEY-POJVIIDRSA-N 0 1 391.342 6.262 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000002338010 521117534 /nfs/dbraw/zinc/11/75/34/521117534.db2.gz XAXZJBPFFIGWMZ-DZRHBTRISA-N 0 1 393.556 5.328 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000006592791 521253047 /nfs/dbraw/zinc/25/30/47/521253047.db2.gz XAXZJBPFFIGWMZ-LSIOVLHASA-N 0 1 393.556 5.328 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000005093724 521256132 /nfs/dbraw/zinc/25/61/32/521256132.db2.gz VDTVXPWZRHCESD-VTCXCXIKSA-N 0 1 393.556 5.246 50 30 GKEAMN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000100160581 523875748 /nfs/dbraw/zinc/87/57/48/523875748.db2.gz TUCLDZVEIKWHTI-GIJQJNRQSA-N 0 1 383.083 5.230 50 30 GKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000034378413 524919149 /nfs/dbraw/zinc/91/91/49/524919149.db2.gz AEASYVZYAQJXBT-REEUPSRWSA-N 0 1 395.458 5.178 50 30 GKEAMN Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O ZINC000013601818 525824380 /nfs/dbraw/zinc/82/43/80/525824380.db2.gz ZKCNREVYXLMTQL-FSJBWODESA-N 0 1 387.395 5.476 50 30 GKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(Br)cc1 ZINC000020075507 526324246 /nfs/dbraw/zinc/32/42/46/526324246.db2.gz OVBQPWQSLNLSCR-REZTVBANSA-N 0 1 389.474 5.321 50 30 GKEAMN Oc1ccc(Cl)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000100812532 526346400 /nfs/dbraw/zinc/34/64/00/526346400.db2.gz RKGZQJKMWUYTFR-SSDVNMTOSA-N 0 1 380.856 5.779 50 30 GKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002700081 526388901 /nfs/dbraw/zinc/38/89/01/526388901.db2.gz WFIRVKGWCKVHRG-PXLXIMEGSA-N 0 1 378.501 5.663 50 30 GKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002356448 526389148 /nfs/dbraw/zinc/38/91/48/526389148.db2.gz YAYCDEASUJQTQN-HZHRSRAPSA-N 0 1 392.528 5.450 50 30 GKEAMN Clc1cccc(Cl)c1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019833228 526977514 /nfs/dbraw/zinc/97/75/14/526977514.db2.gz BBXCKZDKXPXHFJ-MFKUBSTISA-N 0 1 398.337 5.298 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000051366960 570238747 /nfs/dbraw/zinc/23/87/47/570238747.db2.gz NGSNJSSGLRAOBF-NAZSODNNSA-N 0 1 379.529 5.019 50 30 GKEAMN CC(C)(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002293560 570281367 /nfs/dbraw/zinc/28/13/67/570281367.db2.gz PEMLYUKDSUYUQI-BUVRLJJBSA-N 0 1 392.572 6.085 50 30 GKEAMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000002321979 570282493 /nfs/dbraw/zinc/28/24/93/570282493.db2.gz LENQLZUSOKRLBK-BUVRLJJBSA-N 0 1 380.476 5.796 50 30 GKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccccc3)ccc21 ZINC000002349540 570283861 /nfs/dbraw/zinc/28/38/61/570283861.db2.gz XNQFSPSPIVINEQ-BUVRLJJBSA-N 0 1 397.507 5.618 50 30 GKEAMN CCCC1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004898492 570358415 /nfs/dbraw/zinc/35/84/15/570358415.db2.gz PWVKRDRWQVOXOX-PPPMLJSVSA-N 0 1 391.496 5.067 50 30 GKEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899327 570358628 /nfs/dbraw/zinc/35/86/28/570358628.db2.gz AXNFSPPJHCLVRS-PTHMFHIQSA-N 0 1 387.508 5.084 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898414 570359170 /nfs/dbraw/zinc/35/91/70/570359170.db2.gz MZEUQPDYXQTRDH-HHKSSKBBSA-N 0 1 397.519 5.158 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000004910634 570363241 /nfs/dbraw/zinc/36/32/41/570363241.db2.gz ZUHJQWILXLUPQH-GSGORFQQSA-N 0 1 399.947 5.364 50 30 GKEAMN Fc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000004974128 570386900 /nfs/dbraw/zinc/38/69/00/570386900.db2.gz GBRIFQLOUAZPJQ-YDZHTSKRSA-N 0 1 377.444 5.460 50 30 GKEAMN Fc1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000004974128 570386903 /nfs/dbraw/zinc/38/69/03/570386903.db2.gz GBRIFQLOUAZPJQ-YDZHTSKRSA-N 0 1 377.444 5.460 50 30 GKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(Cl)c1 ZINC000005100388 570429250 /nfs/dbraw/zinc/42/92/50/570429250.db2.gz SGEKVWNPAIPLCN-JOCHJYFZSA-N 0 1 394.902 5.503 50 30 GKEAMN CC(C)c1ccc(/C=[NH+]/[N-]c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000026841229 570439505 /nfs/dbraw/zinc/43/95/05/570439505.db2.gz VVOREZWSNVXNOO-FSJBWODESA-N 0 1 389.480 5.486 50 30 GKEAMN Cc1ccc2cc(C(=O)C(C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472357 570473564 /nfs/dbraw/zinc/47/35/64/570473564.db2.gz LIUUPRFBNFOKCG-CQSZACIVSA-N 0 1 389.764 5.101 50 30 GKEAMN Cc1ccc2cc(C(=O)[C@H](C#N)c3ncc(C(F)(F)F)cc3Cl)ccc2n1 ZINC000136472357 570473567 /nfs/dbraw/zinc/47/35/67/570473567.db2.gz LIUUPRFBNFOKCG-CQSZACIVSA-N 0 1 389.764 5.101 50 30 GKEAMN O/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006925733 570499107 /nfs/dbraw/zinc/49/91/07/570499107.db2.gz XWUJKIWEJJFRCN-CNHKJKLMSA-N 0 1 375.049 5.143 50 30 GKEAMN Cc1ccc(N=C(c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000254834323 570510471 /nfs/dbraw/zinc/51/04/71/570510471.db2.gz ZHGGCXUNKBORLK-UHFFFAOYSA-N 0 1 376.503 6.780 50 30 GKEAMN CCCCCCCCCCCCOC(=O)NC(=S)OCc1ccccn1 ZINC000008384763 570530583 /nfs/dbraw/zinc/53/05/83/570530583.db2.gz USAVBSCVXCQFTJ-UHFFFAOYSA-N 0 1 380.554 5.530 50 30 GKEAMN Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1 ZINC000003066639 570533994 /nfs/dbraw/zinc/53/39/94/570533994.db2.gz QTQILHRYJZWSCK-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2c(F)cccc2Cl)c1 ZINC000009087400 570548026 /nfs/dbraw/zinc/54/80/26/570548026.db2.gz OTBCQTDKXDTBFX-UFFVCSGVSA-N 0 1 390.871 5.070 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000009110996 570549536 /nfs/dbraw/zinc/54/95/36/570549536.db2.gz UMQGFPPYVJZZGJ-NRFANRHFSA-N 0 1 377.484 5.154 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(OC)cc2)C2CC2)o1 ZINC000036156182 570553757 /nfs/dbraw/zinc/55/37/57/570553757.db2.gz MHARIMHAGCPMNJ-UHFFFAOYSA-N 0 1 395.543 5.573 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1 ZINC000003132020 570680770 /nfs/dbraw/zinc/68/07/70/570680770.db2.gz NKJCMJCUCNKHRM-QPJQQBGISA-N 0 1 382.140 5.686 50 30 GKEAMN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000138747593 570712802 /nfs/dbraw/zinc/71/28/02/570712802.db2.gz XOEFQGQIXMPRIN-WQTPVJRFSA-N 0 1 398.506 5.029 50 30 biogenic,in-vitro GKEAMN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccccc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935537 570714231 /nfs/dbraw/zinc/71/42/31/570714231.db2.gz JQTCVTWPSKIYFX-FQEVSTJZSA-N 0 1 399.494 5.286 50 30 GKEAMN Cc1ccsc1[C@H]1c2c(C)n[nH]c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018200084 570809021 /nfs/dbraw/zinc/80/90/21/570809021.db2.gz VAZIIDINXXEBRI-SGTLLEGYSA-N 0 1 381.526 5.108 50 30 GKEAMN CCCc1c/c(=N\c2ccc(N(CC)CC)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000102857099 570868365 /nfs/dbraw/zinc/86/83/65/570868365.db2.gz AGTQLIXUHXKSPA-SOYKGTTHSA-N 0 1 397.526 5.323 50 30 GKEAMN CN(CC#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000004027753 570907499 /nfs/dbraw/zinc/90/74/99/570907499.db2.gz VSJACZVSLVSJHV-GGBSJPMNSA-N 0 1 389.539 5.219 50 30 biogenic GKEAMN CCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004888981 570935138 /nfs/dbraw/zinc/93/51/38/570935138.db2.gz IRFCVDGQBCNITL-BVCNIUJDSA-N 0 1 397.519 5.077 50 30 GKEAMN CCc1ccc2oc(-c3cc(N=Cc4cccc(OC)c4O)ccc3O)nc2c1 ZINC000252610319 571009618 /nfs/dbraw/zinc/00/96/18/571009618.db2.gz IAHSRJQCARUBRI-UHFFFAOYSA-N 0 1 388.423 5.228 50 30 GKEAMN N#C[C@H](C(=O)c1cccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000084598244 571026221 /nfs/dbraw/zinc/02/62/21/571026221.db2.gz VDVBRMAHFMLSDR-MRXNPFEDSA-N 0 1 396.393 5.958 50 30 GKEAMN N#CC(C(=O)c1cccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000084598244 571026224 /nfs/dbraw/zinc/02/62/24/571026224.db2.gz VDVBRMAHFMLSDR-MRXNPFEDSA-N 0 1 396.393 5.958 50 30 GKEAMN CC(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682461 571028178 /nfs/dbraw/zinc/02/81/78/571028178.db2.gz JBNAJBGCXOCMFR-TURZUDJPSA-N 0 1 395.550 5.532 50 30 GKEAMN O/N=C(\Cc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000218898273 231031260 /nfs/dbraw/zinc/03/12/60/231031260.db2.gz UWLDXKXCOQUJFE-WSDLNYQXSA-N 0 1 383.584 5.482 50 30 GKEAMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc2ccccc2c1 ZINC000002589423 209369326 /nfs/dbraw/zinc/36/93/26/209369326.db2.gz JUWLDYRIVQTTBW-MFKUBSTISA-N 0 1 396.519 5.725 50 30 GKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc2ccccc2c1 ZINC000002589423 209369328 /nfs/dbraw/zinc/36/93/28/209369328.db2.gz JUWLDYRIVQTTBW-MFKUBSTISA-N 0 1 396.519 5.725 50 30 GKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c(F)cccc2Cl)cc1 ZINC000002341183 209357549 /nfs/dbraw/zinc/35/75/49/209357549.db2.gz ZCCZZDMVFOBRAM-SSDVNMTOSA-N 0 1 388.899 5.580 50 30 GKEAMN O=C1c2ccccc2[C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000001408926 209326788 /nfs/dbraw/zinc/32/67/88/209326788.db2.gz UGOMBOCOCASTDK-FATZIPQQSA-N 0 1 398.487 5.276 50 30 GKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001054160 209294175 /nfs/dbraw/zinc/29/41/75/209294175.db2.gz QBAFDXXIUBWVBP-FOKLQQMPSA-N 0 1 383.234 6.258 50 30 GKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000001045803 209292818 /nfs/dbraw/zinc/29/28/18/209292818.db2.gz CWPYCGSEELEYKE-UHFFFAOYSA-N 0 1 375.642 5.541 50 30 GKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000000721230 209262809 /nfs/dbraw/zinc/26/28/09/209262809.db2.gz AEASYVZYAQJXBT-CQLKWFSRSA-N 0 1 395.458 5.178 50 30 GKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(Cl)c1Cl ZINC000001054224 212210555 /nfs/dbraw/zinc/21/05/55/212210555.db2.gz KXNSKBLVBGMCRU-NGYBGAFCSA-N 0 1 379.468 5.866 50 30 GKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000005175254 204116504 /nfs/dbraw/zinc/11/65/04/204116504.db2.gz KJEBBAXEGQXRET-QHCPKHFHSA-N 0 1 392.474 5.379 50 30 GKEAMN CC/C(=[NH+]\[N-]c1nc2c3ccccc3n(C(C)=O)c2s1)c1ccc(OC)cc1 ZINC000005302262 204124875 /nfs/dbraw/zinc/12/48/75/204124875.db2.gz RSJUKYISZOTAST-HAVVHWLPSA-N 0 1 392.484 5.146 50 30 GKEAMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1cccc(Cl)c1Cl ZINC000006191604 204170570 /nfs/dbraw/zinc/17/05/70/204170570.db2.gz WZBJEXHYFRUCMI-UFWORHAWSA-N 0 1 383.691 5.450 50 30 GKEAMN O=C1c2ccccc2[C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000001408924 206378816 /nfs/dbraw/zinc/37/88/16/206378816.db2.gz UGOMBOCOCASTDK-QKFKETGDSA-N 0 1 398.487 5.276 50 30 GKEAMN Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 ZINC000001922762 206394475 /nfs/dbraw/zinc/39/44/75/206394475.db2.gz MBKSWPXNLXKKTD-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN N#Cc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000002227273 206403583 /nfs/dbraw/zinc/40/35/83/206403583.db2.gz RSYZLMPWOBINTJ-UHFFFAOYSA-N 0 1 390.273 6.589 50 30 GKEAMN Cc1ccccc1Cn1cccc1CN(Cc1ccccc1C#N)C1CCCCC1 ZINC000096299921 208305340 /nfs/dbraw/zinc/30/53/40/208305340.db2.gz NSRDLLOPCUXFRL-UHFFFAOYSA-N 0 1 397.566 6.051 50 30 GKEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000019773144 518448443 /nfs/dbraw/zinc/44/84/43/518448443.db2.gz WJQWUABZIOVRBY-BWAHOGKJSA-N 0 1 377.919 5.035 50 30 GKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(CCC)Cc2cc(OC)cc(OC)c2)o1 ZINC000036167635 518587803 /nfs/dbraw/zinc/58/78/03/518587803.db2.gz WNAUWYNXLOHMJO-UHFFFAOYSA-N 0 1 399.531 5.049 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C(C)C)o1 ZINC000036203073 518697388 /nfs/dbraw/zinc/69/73/88/518697388.db2.gz YBNQZAPQVDZDFW-UHFFFAOYSA-N 0 1 385.523 5.949 50 30 GKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(F)cc2)C(C)C)o1 ZINC000036167737 518697989 /nfs/dbraw/zinc/69/79/89/518697989.db2.gz GECHHYHCZWLZOJ-UHFFFAOYSA-N 0 1 385.523 5.949 50 30 GKEAMN C=CCC[C@@H](O)CN(CC=C)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000035840740 518712971 /nfs/dbraw/zinc/71/29/71/518712971.db2.gz MJBOLSJCYUVEPZ-XMMPIXPASA-N 0 1 380.576 5.149 50 30 GKEAMN C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841166 518787731 /nfs/dbraw/zinc/78/77/31/518787731.db2.gz PGYWBDMSBHHKKE-UHFFFAOYSA-N 0 1 384.445 5.743 50 30 GKEAMN CC(/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C/c1ccco1 ZINC000013595480 519348750 /nfs/dbraw/zinc/34/87/50/519348750.db2.gz WHFAMSISRMUWAS-QZSRELSJSA-N 0 1 383.495 5.056 50 30 GKEAMN CC(C)c1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019805800 519834359 /nfs/dbraw/zinc/83/43/59/519834359.db2.gz JSZKYNVWSMVCQK-SGWCAAJKSA-N 0 1 397.566 5.551 50 30 GKEAMN CCCCCCCCOCn1c2ccccc2n(Cc2ccc(C)cc2)c1=N ZINC000033353414 520041856 /nfs/dbraw/zinc/04/18/56/520041856.db2.gz IEISEMGZQSAVAJ-UHFFFAOYSA-N 0 1 379.548 5.614 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000009334898 520076553 /nfs/dbraw/zinc/07/65/53/520076553.db2.gz KESKVGGLRNZSRB-OAQYLSRUSA-N 0 1 395.474 5.293 50 30 GKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 ZINC000102598151 520077420 /nfs/dbraw/zinc/07/74/20/520077420.db2.gz UBTAMHWCHUNWDY-MRJHHRETSA-N 0 1 395.474 5.136 50 30 GKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004475421 520883403 /nfs/dbraw/zinc/88/34/03/520883403.db2.gz AVWBGAIGBSIABP-FYJGNVAPSA-N 0 1 395.488 5.011 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000095471660 520895649 /nfs/dbraw/zinc/89/56/49/520895649.db2.gz PWVKRDRWQVOXOX-MJHJUBQXSA-N 0 1 391.496 5.067 50 30 GKEAMN CCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000005093727 520896893 /nfs/dbraw/zinc/89/68/93/520896893.db2.gz VDTVXPWZRHCESD-UQTBGETHSA-N 0 1 393.556 5.246 50 30 GKEAMN CCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000002325760 521253868 /nfs/dbraw/zinc/25/38/68/521253868.db2.gz HIZMJNVAYKEKLE-NAZSODNNSA-N 0 1 379.529 5.019 50 30 GKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1 ZINC000004119365 521994917 /nfs/dbraw/zinc/99/49/17/521994917.db2.gz YJKCURVEYNVXQN-OEAKJJBVSA-N 0 1 389.480 5.330 50 30 GKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000004119365 521994927 /nfs/dbraw/zinc/99/49/27/521994927.db2.gz YJKCURVEYNVXQN-OEAKJJBVSA-N 0 1 389.480 5.330 50 30 GKEAMN COc1ccc(/C=N/c2ccc(O)c(-c3nc4c(cccc4C)o3)c2)cc1OC ZINC000003114141 523453039 /nfs/dbraw/zinc/45/30/39/523453039.db2.gz PKXHLYGLBHPQHD-ZMOGYAJESA-N 0 1 388.423 5.277 50 30 biogenic GKEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 ZINC000009319651 524114601 /nfs/dbraw/zinc/11/46/01/524114601.db2.gz CAGCNNPRYJAHEU-HZHRSRAPSA-N 0 1 386.480 5.591 50 30 GKEAMN Cc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1C ZINC000086040693 524156519 /nfs/dbraw/zinc/15/65/19/524156519.db2.gz NFJYEBQCYYFJCJ-QGMBQPNBSA-N 0 1 383.083 5.285 50 30 GKEAMN Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)c1 ZINC000100507117 524216750 /nfs/dbraw/zinc/21/67/50/524216750.db2.gz WMBLUAFVEWHDDW-WYMPLXKRSA-N 0 1 399.277 6.010 50 30 GKEAMN Cc1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)c1 ZINC000102884594 524531848 /nfs/dbraw/zinc/53/18/48/524531848.db2.gz HGJRIYVIAIVCTE-MXTUDFRFSA-N 0 1 395.458 5.178 50 30 GKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000034378414 524917508 /nfs/dbraw/zinc/91/75/08/524917508.db2.gz AEASYVZYAQJXBT-DEMHQBCASA-N 0 1 395.458 5.178 50 30 GKEAMN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000072333077 525227478 /nfs/dbraw/zinc/22/74/78/525227478.db2.gz ISOQFAIBTNAITN-HSZRJFAPSA-N 0 1 399.494 5.217 50 30 GKEAMN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000072333076 525391591 /nfs/dbraw/zinc/39/15/91/525391591.db2.gz ISOQFAIBTNAITN-QHCPKHFHSA-N 0 1 399.494 5.217 50 30 GKEAMN Cc1ccnc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)c1 ZINC000100132095 525633587 /nfs/dbraw/zinc/63/35/87/525633587.db2.gz AMWUTMVMDRZXES-LSHDLFTRSA-N 0 1 385.261 5.234 50 30 GKEAMN Cc1ccc(C(=O)CC=Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 ZINC000002792075 526015489 /nfs/dbraw/zinc/01/54/89/526015489.db2.gz XGLFVKFBSKDFTK-ZHACJKMWSA-N 0 1 386.423 5.528 50 30 GKEAMN Fc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000004974127 526343415 /nfs/dbraw/zinc/34/34/15/526343415.db2.gz ZYKFKMCNFUYXCP-YDZHTSKRSA-N 0 1 377.444 5.460 50 30 GKEAMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002359624 526386728 /nfs/dbraw/zinc/38/67/28/526386728.db2.gz IGLBTJHGLOHLBO-HZHRSRAPSA-N 0 1 386.480 5.069 50 30 GKEAMN Clc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)c(Cl)c1 ZINC000020065506 526939166 /nfs/dbraw/zinc/93/91/66/526939166.db2.gz BTDCURVEFHGWNU-MFKUBSTISA-N 0 1 398.337 5.298 50 30 GKEAMN FC(F)(F)Oc1ccc(N=CC=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002513629 570289101 /nfs/dbraw/zinc/28/91/01/570289101.db2.gz HPOQGNPHUPVIGH-YXFVCWCUSA-N 0 1 390.283 5.812 50 30 GKEAMN FC(F)(F)c1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000006192409 570299636 /nfs/dbraw/zinc/29/96/36/570299636.db2.gz UTJFMWHXGLOIQN-ZVBGSRNCSA-N 0 1 382.798 5.162 50 30 GKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4Cl)cc3O)oc2c1 ZINC000003049810 570326782 /nfs/dbraw/zinc/32/67/82/570326782.db2.gz WEPMZEZWKKFKAN-BHGWPJFGSA-N 0 1 397.261 6.566 50 30 GKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898413 570359162 /nfs/dbraw/zinc/35/91/62/570359162.db2.gz MZEUQPDYXQTRDH-AXMNZLFYSA-N 0 1 397.519 5.158 50 30 GKEAMN Cc1cc2nc(-c3cc(/N=C\c4cc(O)ccc4Cl)ccc3O)oc2cc1C ZINC000004372857 570371861 /nfs/dbraw/zinc/37/18/61/570371861.db2.gz GQEZCJIYNCSPDB-MYKKPKGFSA-N 0 1 392.842 5.927 50 30 GKEAMN FC(F)(F)c1ccc(C=NN=c2[nH]c3ccc(Cl)cc3s2)c(Cl)c1 ZINC000004389631 570373155 /nfs/dbraw/zinc/37/31/55/570373155.db2.gz AQFLNFFBDSRAJS-QPSGOUHRSA-N 0 1 390.217 6.068 50 30 GKEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2cccc3ccccc32)cc1 ZINC000004953988 570381215 /nfs/dbraw/zinc/38/12/15/570381215.db2.gz AYUAGQVQJFONOG-SVJCCZHLSA-N 0 1 387.508 5.002 50 30 GKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000004663273 570390663 /nfs/dbraw/zinc/39/06/63/570390663.db2.gz SFQFBJZKEKZFRQ-HSZRJFAPSA-N 0 1 394.902 5.647 50 30 GKEAMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000004741867 570400942 /nfs/dbraw/zinc/40/09/42/570400942.db2.gz MGYNDEYVHHEBPN-FOKLQQMPSA-N 0 1 398.297 5.723 50 30 GKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)cc1 ZINC000004926023 570418346 /nfs/dbraw/zinc/41/83/46/570418346.db2.gz HVTXOXFCZZXFEY-BUVRLJJBSA-N 0 1 386.524 5.941 50 30 GKEAMN CSc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000005669430 570450516 /nfs/dbraw/zinc/45/05/16/570450516.db2.gz DLDRECSRDVAEKT-FYJGNVAPSA-N 0 1 382.558 5.509 50 30 GKEAMN Cc1ccc(/N=C/Nc2ccc(C)c(Br)c2)cc1Br ZINC000226757383 570461552 /nfs/dbraw/zinc/46/15/52/570461552.db2.gz ZIKQOZODDJSJHG-UHFFFAOYSA-N 0 1 382.099 5.600 50 30 GKEAMN CC(C)(C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000003068721 570534005 /nfs/dbraw/zinc/53/40/05/570534005.db2.gz LVKBNIUSJSSYKW-AWQFTUOYSA-N 0 1 382.685 5.562 50 30 GKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000006720446 570548512 /nfs/dbraw/zinc/54/85/12/570548512.db2.gz KRVKVFIQSBCVEW-HSZRJFAPSA-N 0 1 392.524 5.325 50 30 GKEAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733058 570557243 /nfs/dbraw/zinc/55/72/43/570557243.db2.gz KJOXCLQZJBTLNJ-NRFANRHFSA-N 0 1 397.522 5.894 50 30 GKEAMN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000138694254 570697536 /nfs/dbraw/zinc/69/75/36/570697536.db2.gz XOEFQGQIXMPRIN-BPHUOMJKSA-N 0 1 398.506 5.029 50 30 biogenic GKEAMN Cc1ccsc1[C@H]1c2c(C)n[nH]c2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018200080 570809039 /nfs/dbraw/zinc/80/90/39/570809039.db2.gz VAZIIDINXXEBRI-XIKOKIGWSA-N 0 1 381.526 5.108 50 30 GKEAMN CCOc1ccc2c(c1)C(N=Nc1ccc(F)cc1F)c1cc(OCC)ccc1-2 ZINC000004524331 570842662 /nfs/dbraw/zinc/84/26/62/570842662.db2.gz ASUGYDPQIBROAB-UHFFFAOYSA-N 0 1 394.421 5.607 50 30 GKEAMN Cc1c(Cl)cccc1NC(=S)NN=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000013479163 570897991 /nfs/dbraw/zinc/89/79/91/570897991.db2.gz HKKJZAZBBRQYEK-UHFFFAOYSA-N 0 1 395.237 5.440 50 30 GKEAMN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(O)c(Cl)c1 ZINC000032901823 570899145 /nfs/dbraw/zinc/89/91/45/570899145.db2.gz PWMVZMFDMFZIEY-UHFFFAOYSA-N 0 1 389.908 5.001 50 30 GKEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000006166207 570899705 /nfs/dbraw/zinc/89/97/05/570899705.db2.gz HCAUTFOCINESLO-HZHRSRAPSA-N 0 1 386.480 5.165 50 30 GKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000031854354 570899735 /nfs/dbraw/zinc/89/97/35/570899735.db2.gz CJZNDPKIGWPUEL-BKUYFWCQSA-N 0 1 395.488 5.011 50 30 GKEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000006231397 570937240 /nfs/dbraw/zinc/93/72/40/570937240.db2.gz QNPMZGAQKNBQAC-AFUMVMLFSA-N 0 1 398.466 5.935 50 30 GKEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2cccc3ccccc32)cc1 ZINC000004954001 570943015 /nfs/dbraw/zinc/94/30/15/570943015.db2.gz AYUAGQVQJFONOG-TXINLPKESA-N 0 1 387.508 5.002 50 30 GKEAMN Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=NO)CC(C)(C)O2 ZINC000252605849 571006887 /nfs/dbraw/zinc/00/68/87/571006887.db2.gz GNLUUFDKTRLOMJ-UHFFFAOYSA-N 0 1 390.277 5.076 50 30 GKEAMN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl ZINC000084338477 571014116 /nfs/dbraw/zinc/01/41/16/571014116.db2.gz MHEPKPYFZOWRET-LBPRGKRZSA-N 0 1 398.837 5.574 50 30 GKEAMN Cc1ccc(N=Cc2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl ZINC000252612462 571015580 /nfs/dbraw/zinc/01/55/80/571015580.db2.gz IUABWOMJAVXZRG-UHFFFAOYSA-N 0 1 387.104 6.137 50 30 GKEAMN CN1CCCC1=Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000252621159 571033001 /nfs/dbraw/zinc/03/30/01/571033001.db2.gz MUESJPRLIWSHEJ-UHFFFAOYSA-N 0 1 376.891 5.338 50 30 GKEAMN O=C1c2ccccc2C2=C1C(c1c(F)cccc1Cl)Sc1ccccc1N2 ZINC000018222318 210219003 /nfs/dbraw/zinc/21/90/03/210219003.db2.gz ZQMYYDFBVVULQT-QFIPXVFZSA-N 0 1 393.870 6.346 50 30 GKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Cl)c(Cl)c2)cc1-c1ccc(Cl)cc1 ZINC000013399622 210060653 /nfs/dbraw/zinc/06/06/53/210060653.db2.gz WGKWPTTXRVDXJW-UHFFFAOYSA-N 0 1 375.642 5.953 50 30 GKEAMN