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(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1ccccc1F ZINC000000632017 193864176 /nfs/dbraw/zinc/86/41/76/193864176.db2.gz OMVXTNUQIOUWAK-UHFFFAOYSA-N 0 0 444.535 5.713 50 10 IKCARN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000006144589 193884044 /nfs/dbraw/zinc/88/40/44/193884044.db2.gz JYWBBHQMIZZTQG-YZZKKUAISA-N 0 0 427.375 6.446 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3OCC)N2)c1O ZINC000053364415 193927891 /nfs/dbraw/zinc/92/78/91/193927891.db2.gz TVJMNNXMASTRCB-YIXXDRMTSA-N 0 0 446.547 5.421 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)cc1 ZINC000009404410 132234127 /nfs/dbraw/zinc/23/41/27/132234127.db2.gz JYURKNZLUSKAFS-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 ZINC000001249045 132240642 /nfs/dbraw/zinc/24/06/42/132240642.db2.gz VNOCTPWBIDBQIF-UHFFFAOYSA-N 0 0 441.394 5.515 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 ZINC000002176358 132248280 /nfs/dbraw/zinc/24/82/80/132248280.db2.gz ZPXIVMYZHGKVFE-JJIBRWJFSA-N 0 0 440.568 5.867 50 10 IKCARN COc1ccc(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002240743 132249740 /nfs/dbraw/zinc/24/97/40/132249740.db2.gz NIVWFTZLWDZXTL-UHFFFAOYSA-N 0 0 439.515 6.028 50 10 IKCARN Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002302383 132251634 /nfs/dbraw/zinc/25/16/34/132251634.db2.gz JMDBTMFUASRSSI-IAGOWNOFSA-N 0 0 439.515 5.705 50 10 IKCARN COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2CC(=O)c1ccc(F)cc1 ZINC000002350964 132252649 /nfs/dbraw/zinc/25/26/49/132252649.db2.gz ALRUFLSGJKDPOZ-UHFFFAOYSA-N 0 0 431.579 6.292 50 10 IKCARN O=C1C(=Cc2ccsc2)C(=O)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000002532795 132254886 /nfs/dbraw/zinc/25/48/86/132254886.db2.gz NSEDXNUYLWBOJG-UHFFFAOYSA-N 0 0 443.311 5.638 50 10 IKCARN CSc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002532812 132255035 /nfs/dbraw/zinc/25/50/35/132255035.db2.gz DYQOXWHJJNXQEA-UHFFFAOYSA-N 0 0 442.540 5.609 50 10 IKCARN Cc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000002745741 132256964 /nfs/dbraw/zinc/25/69/64/132256964.db2.gz NBGTUDUADJRVBH-JOCHJYFZSA-N 0 0 436.353 5.595 50 10 IKCARN CCN1CCCc2cc(CN(C(=S)Nc3cccc(SC)c3)C3CCCC3)ccc21 ZINC000003057277 132261305 /nfs/dbraw/zinc/26/13/05/132261305.db2.gz JFSMWMOCENQWKP-UHFFFAOYSA-N 0 0 439.694 6.323 50 10 IKCARN CCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)c(Cl)c3)C3CCCC3)ccc21 ZINC000003057298 132261322 /nfs/dbraw/zinc/26/13/22/132261322.db2.gz QOQNKOHCWMDNMP-UHFFFAOYSA-N 0 0 446.422 6.743 50 10 IKCARN CCCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccccc3C)ccc21 ZINC000003586349 132266429 /nfs/dbraw/zinc/26/64/29/132266429.db2.gz HGDNRGHFCVSBAA-UHFFFAOYSA-N 0 0 439.669 5.783 50 10 IKCARN CN1c2ccccc2/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)C1=O ZINC000003648262 132266924 /nfs/dbraw/zinc/26/69/24/132266924.db2.gz ZFOKUUXULWUQKL-ULJHMMPZSA-N 0 0 447.538 5.138 50 10 IKCARN COc1cccc(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741776 132267896 /nfs/dbraw/zinc/26/78/96/132267896.db2.gz CWEMGOJCLXRBNI-INIZCTEOSA-N 0 0 439.515 6.028 50 10 IKCARN COc1cccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741984 132267911 /nfs/dbraw/zinc/26/79/11/132267911.db2.gz HWPZUUHCQOLGSD-UHFFFAOYSA-N 0 0 425.488 5.782 50 10 IKCARN CC1CCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741809 132267930 /nfs/dbraw/zinc/26/79/30/132267930.db2.gz ZFNWDXGRMZJBOE-UHFFFAOYSA-N 0 0 427.479 6.158 50 10 IKCARN COc1ccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741992 132267944 /nfs/dbraw/zinc/26/79/44/132267944.db2.gz APQANIPCGLMUJY-UHFFFAOYSA-N 0 0 425.488 5.782 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 ZINC000006444769 132277365 /nfs/dbraw/zinc/27/73/65/132277365.db2.gz JMZLFTVBMPZFSD-ZFMNYDKASA-N 0 0 445.946 5.533 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000008435248 132281920 /nfs/dbraw/zinc/28/19/20/132281920.db2.gz MTOGYYHZWXZMBK-NEMUNFNQSA-N 0 0 442.515 5.666 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008435249 132281943 /nfs/dbraw/zinc/28/19/43/132281943.db2.gz MTOGYYHZWXZMBK-AIQNWGLSSA-N 0 0 442.515 5.666 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000008456400 132282359 /nfs/dbraw/zinc/28/23/59/132282359.db2.gz GCMLMVCXNLXJOT-KRKXHZOKSA-N 0 0 427.504 5.448 50 10 IKCARN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000009190111 132307907 /nfs/dbraw/zinc/30/79/07/132307907.db2.gz AHXPWNYGIITHQY-MOHJPFBDSA-N 0 0 443.547 5.285 50 10 IKCARN O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000009234166 132310289 /nfs/dbraw/zinc/31/02/89/132310289.db2.gz DCGPUHBHUIYMSY-XDHOZWIPSA-N 0 0 449.359 5.067 50 10 IKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)cc1Cl ZINC000009370941 132314539 /nfs/dbraw/zinc/31/45/39/132314539.db2.gz IMVJTINESACSRJ-XDHOZWIPSA-N 0 0 432.376 5.094 50 10 IKCARN Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000013174084 132346227 /nfs/dbraw/zinc/34/62/27/132346227.db2.gz PSJMSPLPTSMBCQ-CALCHBBNSA-N 0 0 439.515 5.705 50 10 IKCARN CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016033705 518209706 /nfs/dbraw/zinc/20/97/06/518209706.db2.gz HXHIWHPHFWOLRQ-JIMJEQGWSA-N 0 0 433.507 5.017 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1 ZINC000032964389 519558564 /nfs/dbraw/zinc/55/85/64/519558564.db2.gz GLVIPDDNUVZNQL-IIIQQOCDSA-N 0 0 432.336 5.059 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cccn3Cc3ccc(Cl)cc3Cl)C2=N)S1 ZINC000012285482 519558785 /nfs/dbraw/zinc/55/87/85/519558785.db2.gz LXOIJAUPEYUPIT-CSJJXSSWSA-N 0 0 446.363 5.118 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O ZINC000012469917 520634958 /nfs/dbraw/zinc/63/49/58/520634958.db2.gz NNCJAYXNWGCZMG-GDNBJRDFSA-N 0 0 442.400 5.087 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCSc1ccccc1 ZINC000003000691 520635587 /nfs/dbraw/zinc/63/55/87/520635587.db2.gz KBHRXXJOCBWCDC-HKWRFOASSA-N 0 0 445.631 5.478 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1Cl ZINC000015800580 520635830 /nfs/dbraw/zinc/63/58/30/520635830.db2.gz SEKIDHHWCCZPIC-UYRXBGFRSA-N 0 0 449.981 5.028 50 10 IKCARN CCN(CC)c1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccccc5)cs4)c32)cc1 ZINC000012580378 520880191 /nfs/dbraw/zinc/88/01/91/520880191.db2.gz IAYYRUQGCDQAPZ-LTGZKZEYSA-N 0 0 426.589 6.329 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000017293255 520890573 /nfs/dbraw/zinc/89/05/73/520890573.db2.gz RVCGDZFPHDOVEM-HAHDFKILSA-N 0 0 441.328 6.562 50 10 IKCARN CCN(CC)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000012613707 520893471 /nfs/dbraw/zinc/89/34/71/520893471.db2.gz GSYPUKUHEBOLFX-UHFFFAOYSA-N 0 0 439.563 5.053 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000015906715 520897688 /nfs/dbraw/zinc/89/76/88/520897688.db2.gz ZICHOZJYRZRODI-LFVJCYFKSA-N 0 0 438.918 5.999 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000012411775 520923390 /nfs/dbraw/zinc/92/33/90/520923390.db2.gz CDRPREWFAAIKMU-NIYJGHKDSA-N 0 0 436.596 5.050 50 10 biogenic IKCARN CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012560573 520924419 /nfs/dbraw/zinc/92/44/19/520924419.db2.gz HYUGIVWIBGLFOW-AOYPEHQESA-N 0 0 431.967 6.429 50 10 IKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000012629368 521015934 /nfs/dbraw/zinc/01/59/34/521015934.db2.gz NYQFRFZKMRRJPS-MFOYZWKCSA-N 0 0 440.373 5.807 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000020763621 521416451 /nfs/dbraw/zinc/41/64/51/521416451.db2.gz PGFYIBFRPZDEPK-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000020764196 521416623 /nfs/dbraw/zinc/41/66/23/521416623.db2.gz VKGASSBBCQJPBJ-OFVILXPXSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763062 521416684 /nfs/dbraw/zinc/41/66/84/521416684.db2.gz MPYJMIBBRUAKOP-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020764216 521416894 /nfs/dbraw/zinc/41/68/94/521416894.db2.gz OMDRHPPHVOSNLK-XUZZJYLKSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](CC(C)C)N2)c1O ZINC000020763191 521417636 /nfs/dbraw/zinc/41/76/36/521417636.db2.gz IFPMQVSRTYMYCT-FPOVZHCZSA-N 0 0 431.374 5.449 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000020763096 521424738 /nfs/dbraw/zinc/42/47/38/521424738.db2.gz IXCYDBSALXCUAM-ATIYNZHBSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cc(OC)ccc3OC)N2)c1O ZINC000020764700 521424982 /nfs/dbraw/zinc/42/49/82/521424982.db2.gz MUTMHSFGWNMAMP-YIXXDRMTSA-N 0 0 446.547 5.339 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000020764192 521425397 /nfs/dbraw/zinc/42/53/97/521425397.db2.gz VKGASSBBCQJPBJ-PXDATVDWSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](CC(C)C)N2)c1O ZINC000020763186 521425444 /nfs/dbraw/zinc/42/54/44/521425444.db2.gz IFPMQVSRTYMYCT-TZIWHRDSSA-N 0 0 431.374 5.449 50 10 IKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000012629385 521460301 /nfs/dbraw/zinc/46/03/01/521460301.db2.gz XKRYKTZYVVIBOF-STZFKDTASA-N 0 0 449.553 5.838 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(OC)cc2)SC1=S ZINC000022229101 521511826 /nfs/dbraw/zinc/51/18/26/521511826.db2.gz RVGRCCVQVRLADQ-UYRXBGFRSA-N 0 0 449.981 5.028 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCCOc2ccccc2)SC1=S ZINC000022241867 521514184 /nfs/dbraw/zinc/51/41/84/521514184.db2.gz DNIAAELSGMGURC-XMHGGMMESA-N 0 0 433.982 5.409 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(F)c(Cl)c3)c2)SC1=S ZINC000020608713 521514401 /nfs/dbraw/zinc/51/44/01/521514401.db2.gz POSXCTDBXZBMHV-GIJQJNRQSA-N 0 0 437.945 5.288 50 10 IKCARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000012558297 521517093 /nfs/dbraw/zinc/51/70/93/521517093.db2.gz WXVZSMQFGQBMDE-LDADJPATSA-N 0 0 425.966 5.414 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1OCc1ccccc1 ZINC000033924266 521959550 /nfs/dbraw/zinc/95/95/50/521959550.db2.gz RCMYFHYALKEBPV-IWIPYMOSSA-N 0 0 426.516 5.697 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCSc1ccc(C)cc1 ZINC000012285352 521973562 /nfs/dbraw/zinc/97/35/62/521973562.db2.gz LBKAIKAHMFWERX-UYRXBGFRSA-N 0 0 431.604 5.006 50 10 IKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)C2CC2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000012524191 522131343 /nfs/dbraw/zinc/13/13/43/522131343.db2.gz SNHJMGYXUINGNB-OFLUAPHGSA-N 0 0 442.607 5.352 50 10 IKCARN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000015012073 522253792 /nfs/dbraw/zinc/25/37/92/522253792.db2.gz ZNJKZJQBERNVRZ-CPNJWEJPSA-N 0 0 427.547 5.267 50 10 IKCARN CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001179767 523001370 /nfs/dbraw/zinc/00/13/70/523001370.db2.gz DXISVFFPTQYAHX-IYWFSZBXSA-N 0 0 437.030 5.113 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1COc1cc(C)cc(C)c1 ZINC000020602355 523412856 /nfs/dbraw/zinc/41/28/56/523412856.db2.gz ILNUVSHDQCRMHT-CIAFOILYSA-N 0 0 427.591 5.501 50 10 IKCARN CCn1nc(C)c(CN2CC[C@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c1C ZINC000012243075 523640636 /nfs/dbraw/zinc/64/06/36/523640636.db2.gz SWZDKYTWSONFQH-HSZRJFAPSA-N 0 0 443.563 6.050 50 10 IKCARN CCn1nc(C)c(CN2CC[C@@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c1C ZINC000012508864 523641028 /nfs/dbraw/zinc/64/10/28/523641028.db2.gz DDYPYMGIHJRTRZ-QHCPKHFHSA-N 0 0 443.563 6.050 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763071 523880624 /nfs/dbraw/zinc/88/06/24/523880624.db2.gz HUTPKVVZGOFERR-FYYLOGMGSA-N 0 0 427.331 5.930 50 10 IKCARN COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765247 523881471 /nfs/dbraw/zinc/88/14/71/523881471.db2.gz NKROSSWXTGVBLW-REWPJTCUSA-N 0 0 445.321 6.069 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763384 523903155 /nfs/dbraw/zinc/90/31/55/523903155.db2.gz XRJYCWVMCYRRJI-VWNXMTODSA-N 0 0 425.359 6.484 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763394 523903426 /nfs/dbraw/zinc/90/34/26/523903426.db2.gz XRJYCWVMCYRRJI-UPVQGACJSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1cc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(C)cc1 ZINC000012532390 524195795 /nfs/dbraw/zinc/19/57/95/524195795.db2.gz ONTHDVGYZBNWIF-IFDVCUOJSA-N 0 0 448.607 5.280 50 10 IKCARN Cc1cc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(C)cc1 ZINC000012532388 524196503 /nfs/dbraw/zinc/19/65/03/524196503.db2.gz ONTHDVGYZBNWIF-YULRPQQCSA-N 0 0 448.607 5.280 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020762943 524234123 /nfs/dbraw/zinc/23/41/23/524234123.db2.gz IQSSOLMBPHDADS-JTHBVZDNSA-N 0 0 439.328 5.825 50 10 IKCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000020733970 524405296 /nfs/dbraw/zinc/40/52/96/524405296.db2.gz LSYDNBXYRUXCRG-UHFFFAOYSA-N 0 0 446.938 5.361 50 10 IKCARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2CC(C)C)c(OC)c1 ZINC000022118005 524510968 /nfs/dbraw/zinc/51/09/68/524510968.db2.gz SAVWKWDVCDDRMA-UHFFFAOYSA-N 0 0 443.544 5.093 50 10 IKCARN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000020367369 524629087 /nfs/dbraw/zinc/62/90/87/524629087.db2.gz RRJUOOZQTBBOFY-YVLHZVERSA-N 0 0 434.380 5.168 50 10 IKCARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947822 524725409 /nfs/dbraw/zinc/72/54/09/524725409.db2.gz SMQKGHAPEDXRRK-MCMMXHMISA-N 0 0 438.980 6.252 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)c(C)c1 ZINC000016284803 524916148 /nfs/dbraw/zinc/91/61/48/524916148.db2.gz JOYPLNWCGORBBI-IDUWFGFVSA-N 0 0 448.363 5.200 50 10 IKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(Cl)c(Cl)c2)C(=O)C1 ZINC000035239565 524974990 /nfs/dbraw/zinc/97/49/90/524974990.db2.gz LSNOPVZBXBQPRS-LBPRGKRZSA-N 0 0 449.175 6.979 50 10 IKCARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)c(F)c1 ZINC000012544424 525080379 /nfs/dbraw/zinc/08/03/79/525080379.db2.gz OVRJRYRHVIQTKM-UHFFFAOYSA-N 0 0 434.334 5.028 50 10 IKCARN C[C@H](NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)c1ccccc1 ZINC000020902498 525204946 /nfs/dbraw/zinc/20/49/46/525204946.db2.gz WUPXLSGYZOMEFU-QFIPXVFZSA-N 0 0 434.583 6.904 50 10 IKCARN Cc1c(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc2n1C ZINC000033335217 525519983 /nfs/dbraw/zinc/51/99/83/525519983.db2.gz GJHBLPQKXMSBEU-WOJGMQOQSA-N 0 0 426.339 5.332 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1ccc(O)c(OC)c1 ZINC000012148991 525569457 /nfs/dbraw/zinc/56/94/57/525569457.db2.gz YIXLBZVRQDLHFP-HSZRJFAPSA-N 0 0 425.525 5.792 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cccnc1 ZINC000012245735 525569616 /nfs/dbraw/zinc/56/96/16/525569616.db2.gz MBAWEEDPUGLKCY-QFIPXVFZSA-N 0 0 440.952 5.716 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cccnc1 ZINC000012245736 525569690 /nfs/dbraw/zinc/56/96/90/525569690.db2.gz MBAWEEDPUGLKCY-JOCHJYFZSA-N 0 0 440.952 5.716 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1c(C)nn(C)c1Cl ZINC000012244318 525570018 /nfs/dbraw/zinc/57/00/18/525570018.db2.gz JNJDZAPJNIXLOH-HXUWFJFHSA-N 0 0 449.954 5.912 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1ccc(O)c(OC)c1 ZINC000012148990 525571795 /nfs/dbraw/zinc/57/17/95/525571795.db2.gz YIXLBZVRQDLHFP-QHCPKHFHSA-N 0 0 425.525 5.792 50 10 IKCARN Cc1c(C(=O)NCc2ccco2)cc(-c2ccc(Cl)cc2)n1-c1ccc2c(c1)OCO2 ZINC000035829110 525629943 /nfs/dbraw/zinc/62/99/43/525629943.db2.gz AENUPUMYVWTTHJ-UHFFFAOYSA-N 0 0 434.879 5.358 50 10 IKCARN Cc1cc(/C=C2/c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000012650913 526088417 /nfs/dbraw/zinc/08/84/17/526088417.db2.gz KECXKOCXPCGTSL-IMRQLAEWSA-N 0 0 432.523 6.130 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000034780660 526089690 /nfs/dbraw/zinc/08/96/90/526089690.db2.gz JGJWIKTXDAZMNW-CIAFOILYSA-N 0 0 440.927 6.123 50 10 IKCARN Cc1cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c(C)n1-c1ccc(C)cc1 ZINC000012523513 526214413 /nfs/dbraw/zinc/21/44/13/526214413.db2.gz DMSCGXAHVZITKB-UHFFFAOYSA-N 0 0 432.549 5.038 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(OCC)cc3)[C@@H](C)CC)ccc21 ZINC000003585645 534915168 /nfs/dbraw/zinc/91/51/68/534915168.db2.gz JMERUSHWSUXXFA-FQEVSTJZSA-N 0 0 439.669 6.245 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(C)c(C)c3)ccc21 ZINC000003057225 534915953 /nfs/dbraw/zinc/91/59/53/534915953.db2.gz XDEWXDABYWNXCJ-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3c(C)cccc3C)ccc21 ZINC000003057247 534916111 /nfs/dbraw/zinc/91/61/11/534916111.db2.gz HPTWMOIMXORRSU-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(Cl)c2)N1 ZINC000020764969 526347220 /nfs/dbraw/zinc/34/72/20/526347220.db2.gz OYKFIMGHJCAGEJ-WMZHIEFXSA-N 0 0 441.314 5.650 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000020763176 526375787 /nfs/dbraw/zinc/37/57/87/526375787.db2.gz LHKFLWITZTXWMU-IFMALSPDSA-N 0 0 441.756 6.031 50 10 IKCARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F ZINC000001267307 526706300 /nfs/dbraw/zinc/70/63/00/526706300.db2.gz NRHOVPUXVYPDTG-YIERNNEGSA-N 0 0 448.491 5.102 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 ZINC000035347551 526729037 /nfs/dbraw/zinc/72/90/37/526729037.db2.gz 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O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000033345971 526945713 /nfs/dbraw/zinc/94/57/13/526945713.db2.gz NLADSJLRXSKLPG-VGOFMYFVSA-N 0 0 445.190 6.162 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCCCCC1)cc3Sc1ccccc1 ZINC000012376850 527127845 /nfs/dbraw/zinc/12/78/45/527127845.db2.gz ZZWADUNOGUWMSX-UHFFFAOYSA-N 0 0 426.541 6.571 50 10 IKCARN O=C1c2ccccc2C(=O)c2c(Sc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000012367578 527131878 /nfs/dbraw/zinc/13/18/78/527131878.db2.gz PGTILBWXJWTDMY-UHFFFAOYSA-N 0 0 446.483 5.389 50 10 IKCARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCC3)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000016524321 527133966 /nfs/dbraw/zinc/13/39/66/527133966.db2.gz UYHIYUSIQTXDHW-HSZRJFAPSA-N 0 0 437.465 6.077 50 10 IKCARN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000012375654 527255286 /nfs/dbraw/zinc/25/52/86/527255286.db2.gz HEQWCUKWRYJVJE-IMWIBFENSA-N 0 0 438.499 5.592 50 10 IKCARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Sc1ncc([N+](=O)[O-])s1 ZINC000012369978 527330885 /nfs/dbraw/zinc/33/08/85/527330885.db2.gz NVDDPKBABKGJNB-UHFFFAOYSA-N 0 0 440.428 5.865 50 10 IKCARN O=[N+]([O-])c1cnc(Sc2nnc(SCc3cccc(C(F)(F)F)c3)s2)s1 ZINC000012369979 527412138 /nfs/dbraw/zinc/41/21/38/527412138.db2.gz FFQIBLAKXTYYDX-UHFFFAOYSA-N 0 0 436.487 5.365 50 10 IKCARN CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000004253572 535682944 /nfs/dbraw/zinc/68/29/44/535682944.db2.gz ZMGJRVKFMXKPIP-UHFFFAOYSA-N 0 0 439.515 5.116 50 10 IKCARN COc1ccc(N2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)c(OC)c1 ZINC000009597373 536707021 /nfs/dbraw/zinc/70/70/21/536707021.db2.gz ZBJDPGPLPWMHLO-UHFFFAOYSA-N 0 0 429.472 5.142 50 10 IKCARN Cc1cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c(C)n1-c1ccccc1 ZINC000000632019 555515266 /nfs/dbraw/zinc/51/52/66/555515266.db2.gz UQUKEWHCIVLVNK-UHFFFAOYSA-N 0 0 433.602 5.871 50 10 IKCARN Cc1c(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc2n1C ZINC000000693962 555542413 /nfs/dbraw/zinc/54/24/13/555542413.db2.gz GJHBLPQKXMSBEU-WQRHYEAKSA-N 0 0 426.339 5.332 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1ccc(F)cc1 ZINC000000703690 555543875 /nfs/dbraw/zinc/54/38/75/555543875.db2.gz LXXDVDBWAMBUCX-UHFFFAOYSA-N 0 0 437.565 5.702 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)=O ZINC000000727744 555551958 /nfs/dbraw/zinc/55/19/58/555551958.db2.gz FVOWRICERHTKTC-CXUHLZMHSA-N 0 0 433.291 5.124 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3sccc3C)sc3c2CCC3)c1 ZINC000000729128 555552321 /nfs/dbraw/zinc/55/23/21/555552321.db2.gz SAFVSJYPAKHKDU-UHFFFAOYSA-N 0 0 428.579 5.488 50 10 IKCARN Cc1nc(N)sc1-c1csc(Nc2ccc(Br)cc2Br)n1 ZINC000000841151 555568150 /nfs/dbraw/zinc/56/81/50/555568150.db2.gz LBBHSCPCROUSTN-UHFFFAOYSA-N 0 0 446.193 5.426 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)c1 ZINC000000920831 555584689 /nfs/dbraw/zinc/58/46/89/555584689.db2.gz PIESFNPGFTXOSN-UHFFFAOYSA-N 0 0 426.513 5.258 50 10 IKCARN COc1cccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)c1 ZINC000000920835 555584701 /nfs/dbraw/zinc/58/47/01/555584701.db2.gz SAIHDSIMWPZOMU-UHFFFAOYSA-N 0 0 438.549 5.127 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(F)c(Cl)c3)c2)SC1=S ZINC000001015980 555602551 /nfs/dbraw/zinc/60/25/51/555602551.db2.gz POSXCTDBXZBMHV-NVMNQCDNSA-N 0 0 437.945 5.288 50 10 IKCARN CC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C(=O)O1 ZINC000001048671 555611790 /nfs/dbraw/zinc/61/17/90/555611790.db2.gz SFLQNKFNWYBXBP-UHFFFAOYSA-N 0 0 434.288 5.204 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000001123289 555639026 /nfs/dbraw/zinc/63/90/26/555639026.db2.gz HOEHTUVWUFWSIG-MKMNVTDBSA-N 0 0 430.309 5.253 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccco1 ZINC000001138466 555648387 /nfs/dbraw/zinc/64/83/87/555648387.db2.gz VBDWNXSBFSOQKJ-NDENLUEZSA-N 0 0 425.506 5.399 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccco1 ZINC000001142619 555650926 /nfs/dbraw/zinc/65/09/26/555650926.db2.gz AXHILVQGQVJUSR-NDENLUEZSA-N 0 0 425.506 5.399 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001158705 555660515 /nfs/dbraw/zinc/66/05/15/555660515.db2.gz MYPJYLBRODHDEE-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S ZINC000001161669 555661993 /nfs/dbraw/zinc/66/19/93/555661993.db2.gz MFWLMPWHBJDJIY-YVLHZVERSA-N 0 0 434.926 5.048 50 10 IKCARN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001179769 555671210 /nfs/dbraw/zinc/67/12/10/555671210.db2.gz DXISVFFPTQYAHX-VVZNPABPSA-N 0 0 437.030 5.113 50 10 IKCARN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1C ZINC000001180860 555671693 /nfs/dbraw/zinc/67/16/93/555671693.db2.gz CFVBYKQYXDCOEA-UYRXBGFRSA-N 0 0 445.009 5.577 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001182979 555672855 /nfs/dbraw/zinc/67/28/55/555672855.db2.gz LGHZZTWJNIRMSS-WOJGMQOQSA-N 0 0 448.972 5.408 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000001193217 555676111 /nfs/dbraw/zinc/67/61/11/555676111.db2.gz LPDGDEYQTPGUII-UNOMPAQXSA-N 0 0 427.934 6.014 50 10 IKCARN Nc1c(Cl)cc(N2C(=O)c3cc4cccc(Br)c4cc3C2=O)cc1Cl ZINC000001203398 555679428 /nfs/dbraw/zinc/67/94/28/555679428.db2.gz FSRMYFPCOQXADB-UHFFFAOYSA-N 0 0 436.092 5.292 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000001209439 555681661 /nfs/dbraw/zinc/68/16/61/555681661.db2.gz XTZDNEHMJXPPIL-DEDYPNTBSA-N 0 0 435.526 5.135 50 10 IKCARN O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000001213473 555683049 /nfs/dbraw/zinc/68/30/49/555683049.db2.gz LRNSEWVOKBURRE-UHFFFAOYSA-N 0 0 448.978 5.607 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000001219225 555685101 /nfs/dbraw/zinc/68/51/01/555685101.db2.gz ZKZJJZIWLWHBRH-LICLKQGHSA-N 0 0 437.945 5.288 50 10 IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000001747702 555712095 /nfs/dbraw/zinc/71/20/95/555712095.db2.gz DASVCTYXBDDNAZ-UHFFFAOYSA-N 0 0 425.834 5.680 50 10 biogenic IKCARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001781219 555714699 /nfs/dbraw/zinc/71/46/99/555714699.db2.gz NBGMLGHWIHALBU-RIYZIHGNSA-N 0 0 444.297 5.874 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S ZINC000001798130 555716645 /nfs/dbraw/zinc/71/66/45/555716645.db2.gz FPIKCQRYNPQHBA-JVMRMLDLSA-N 0 0 430.639 5.621 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001800749 555716989 /nfs/dbraw/zinc/71/69/89/555716989.db2.gz WCBCAOGBORJGDA-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000002070559 555734789 /nfs/dbraw/zinc/73/47/89/555734789.db2.gz ODMMXBRLAVPKNR-OVCLIPMQSA-N 0 0 440.771 5.517 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@H](C)C2 ZINC000002072945 555735068 /nfs/dbraw/zinc/73/50/68/555735068.db2.gz WFEHVHBOQAKCFD-ZDUSSCGKSA-N 0 0 447.025 6.461 50 10 aggregator IKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 ZINC000002075712 555735967 /nfs/dbraw/zinc/73/59/67/555735967.db2.gz UPTYECXZKKQXLU-XMHGGMMESA-N 0 0 427.297 6.737 50 10 IKCARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000002084393 555739465 /nfs/dbraw/zinc/73/94/65/555739465.db2.gz UOTONDINSBJZLF-QHCPKHFHSA-N 0 0 449.624 6.170 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000002120007 555745275 /nfs/dbraw/zinc/74/52/75/555745275.db2.gz GVFZCKAOOZEOAR-UDWIEESQSA-N 0 0 445.972 5.301 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000002120312 555745286 /nfs/dbraw/zinc/74/52/86/555745286.db2.gz HAHUUTRVSNMCRN-HZHRSRAPSA-N 0 0 447.581 5.988 50 10 IKCARN Cc1ccc(C)n1-c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Br)cc1 ZINC000002142497 555748406 /nfs/dbraw/zinc/74/84/06/555748406.db2.gz WMHNHYYKQBNBOU-UHFFFAOYSA-N 0 0 440.746 5.278 50 10 IKCARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002145465 555749055 /nfs/dbraw/zinc/74/90/55/555749055.db2.gz KFIAFFKOSKETKY-UHFFFAOYSA-N 0 0 443.355 5.280 50 10 IKCARN Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000002157388 555750590 /nfs/dbraw/zinc/75/05/90/555750590.db2.gz OMSYJNKSEPXPBZ-DWFNGTSHSA-N 0 0 441.577 5.962 50 10 IKCARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000002158972 555750628 /nfs/dbraw/zinc/75/06/28/555750628.db2.gz QZYZQQVQNWZMNO-UHFFFAOYSA-N 0 0 446.378 6.074 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000002161975 555751167 /nfs/dbraw/zinc/75/11/67/555751167.db2.gz BWZFGIAKDYDOGS-QRVIBDJDSA-N 0 0 434.536 6.087 50 10 IKCARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1 ZINC000002184797 555754856 /nfs/dbraw/zinc/75/48/56/555754856.db2.gz BODILRLAGGKQBA-UHFFFAOYSA-N 0 0 442.587 5.571 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000002193043 555756471 /nfs/dbraw/zinc/75/64/71/555756471.db2.gz KZBYUVRNTRPQEU-LHLOQNFPSA-N 0 0 429.519 6.834 50 10 IKCARN O=C(CSc1ccc(NCc2ccccc2O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002544812 555786981 /nfs/dbraw/zinc/78/69/81/555786981.db2.gz ISHNQSXEBRLWQM-UHFFFAOYSA-N 0 0 448.466 5.634 50 10 IKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000002672567 555797488 /nfs/dbraw/zinc/79/74/88/555797488.db2.gz NFEAFCYWYJNCKD-QNGOZBTKSA-N 0 0 433.602 5.849 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000002672261 555797493 /nfs/dbraw/zinc/79/74/93/555797493.db2.gz ZFEQFGJTVADGTQ-UNQMGURYSA-N 0 0 442.993 5.257 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)c(C)c1 ZINC000002671922 555797577 /nfs/dbraw/zinc/79/75/77/555797577.db2.gz KLFODUVAXVJNHP-STZFKDTASA-N 0 0 449.601 5.468 50 10 IKCARN Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000002811696 555827593 /nfs/dbraw/zinc/82/75/93/555827593.db2.gz YNHKXMBTNXWDCZ-NDENLUEZSA-N 0 0 425.962 6.310 50 10 IKCARN CCCOc1ccc(-c2c3c(nc(C)c2C(=O)OCC)-c2ccccc2C3=O)cc1OC ZINC000002842773 555836435 /nfs/dbraw/zinc/83/64/35/555836435.db2.gz WRKKOIKVRNRROU-UHFFFAOYSA-N 0 0 431.488 5.243 50 10 IKCARN Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)c1 ZINC000002843846 555836721 /nfs/dbraw/zinc/83/67/21/555836721.db2.gz FLFUWQCHXKCKLY-LICLKQGHSA-N 0 0 434.380 5.168 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000002850145 555838952 /nfs/dbraw/zinc/83/89/52/555838952.db2.gz SCJDIQDLVBFAOJ-WOJGMQOQSA-N 0 0 448.953 6.042 50 10 IKCARN Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002852274 555839839 /nfs/dbraw/zinc/83/98/39/555839839.db2.gz XRSRIVHDDIIKEX-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc32)cc1OC ZINC000002870332 555849358 /nfs/dbraw/zinc/84/93/58/555849358.db2.gz JBXAVKWEIYMUAH-MHZLTWQESA-N 0 0 427.500 5.011 50 10 IKCARN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000002879241 555853921 /nfs/dbraw/zinc/85/39/21/555853921.db2.gz HEQWCUKWRYJVJE-YDIMBITNSA-N 0 0 438.499 5.592 50 10 IKCARN CN(C)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000002977674 555870384 /nfs/dbraw/zinc/87/03/84/555870384.db2.gz IWRNTRUANRBILT-HSZRJFAPSA-N 0 0 441.560 5.400 50 10 IKCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000002993133 555875498 /nfs/dbraw/zinc/87/54/98/555875498.db2.gz DPKNKWINZVMDSM-XDHOZWIPSA-N 0 0 444.534 5.397 50 10 IKCARN Cc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000002993882 555875736 /nfs/dbraw/zinc/87/57/36/555875736.db2.gz XVDGEBQVCYKTNG-QJOMJCCJSA-N 0 0 447.581 5.859 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 ZINC000003000128 555877579 /nfs/dbraw/zinc/87/75/79/555877579.db2.gz YMDXXZNDQQUJMI-QSEAXJEQSA-N 0 0 440.974 6.760 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c1 ZINC000003003089 555878249 /nfs/dbraw/zinc/87/82/49/555878249.db2.gz GWWFNUNHHHZZGV-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccccc1 ZINC000003097602 555886419 /nfs/dbraw/zinc/88/64/19/555886419.db2.gz HVZDWTWBSWKKBK-STZFKDTASA-N 0 0 448.525 5.580 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccccc1 ZINC000034913838 555929924 /nfs/dbraw/zinc/92/99/24/555929924.db2.gz MPUMGBHXFHTMRX-WQRHYEAKSA-N 0 0 432.353 6.659 50 10 IKCARN CCCCCCC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)O1 ZINC000003764491 555945967 /nfs/dbraw/zinc/94/59/67/555945967.db2.gz PTFXEKULERVMGD-UHFFFAOYSA-N 0 0 447.325 5.879 50 10 IKCARN Cn1c(/N=N/c2c(Nc3cccc4ccccc43)ccc3ccccc32)nc2ccccc21 ZINC000003876970 555950314 /nfs/dbraw/zinc/95/03/14/555950314.db2.gz QLSMUSMMEACDFW-QNEJGDQOSA-N 0 0 427.511 8.039 50 10 IKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000003878848 555950591 /nfs/dbraw/zinc/95/05/91/555950591.db2.gz SKZHBAMWWCDALS-UHFFFAOYSA-N 0 0 449.619 5.055 50 10 IKCARN COc1ccc(NC(=O)C2=CC(=NNc3ccc(O)cc3Cl)c3ccccc3C2=O)cc1 ZINC000004113472 555963784 /nfs/dbraw/zinc/96/37/84/555963784.db2.gz WPQKAKZCMWVEHG-BYYHNAKLSA-N 0 0 447.878 6.581 50 10 IKCARN CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000004178948 555974198 /nfs/dbraw/zinc/97/41/98/555974198.db2.gz XKDDZTSAIRCYIY-XMHGGMMESA-N 0 0 425.619 6.393 50 10 IKCARN CCCCN1C(=O)/C(=C\c2cc(-c3cccs3)nn2-c2ccccc2)SC1=S ZINC000004820506 556013426 /nfs/dbraw/zinc/01/34/26/556013426.db2.gz OMGQQCUBQIULCF-XMHGGMMESA-N 0 0 425.604 5.602 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=N)S1 ZINC000005946020 556070345 /nfs/dbraw/zinc/07/03/45/556070345.db2.gz DLCCSICONYTOCR-UYAJQHSGSA-N 0 0 446.363 5.430 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000006144588 556077842 /nfs/dbraw/zinc/07/78/42/556077842.db2.gz JYWBBHQMIZZTQG-PMAPCBKXSA-N 0 0 427.375 6.446 50 10 IKCARN Cc1ccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000006245484 556082595 /nfs/dbraw/zinc/08/25/95/556082595.db2.gz USQJOIDYGHDPOG-UHFFFAOYSA-N 0 0 432.479 5.766 50 10 IKCARN O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000006445995 556088224 /nfs/dbraw/zinc/08/82/24/556088224.db2.gz JYIBJKZHKXOLDT-IRCXXISZSA-N 0 0 437.714 6.233 50 10 IKCARN Clc1ccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000006445339 556088260 /nfs/dbraw/zinc/08/82/60/556088260.db2.gz DACBWLIZQKHTQJ-NVGCLXPQSA-N 0 0 442.127 6.425 50 10 IKCARN Clc1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000006445337 556088266 /nfs/dbraw/zinc/08/82/66/556088266.db2.gz DACBWLIZQKHTQJ-PRXAMGSTSA-N 0 0 442.127 6.425 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000006470426 556090024 /nfs/dbraw/zinc/09/00/24/556090024.db2.gz LLWGQTYWEBRNCO-WOJGMQOQSA-N 0 0 433.982 5.457 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S ZINC000006470578 556090402 /nfs/dbraw/zinc/09/04/02/556090402.db2.gz QTPWUFGEQNQDNS-XMHGGMMESA-N 0 0 433.982 5.409 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCC(C)C ZINC000006821594 556105475 /nfs/dbraw/zinc/10/54/75/556105475.db2.gz IQFARNWMDBSHJA-WOJGMQOQSA-N 0 0 447.362 6.233 50 10 IKCARN O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000007017910 556113440 /nfs/dbraw/zinc/11/34/40/556113440.db2.gz JFSYPSPMHWJWSS-GXDHUFHOSA-N 0 0 438.233 5.599 50 10 IKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000002674263 556118265 /nfs/dbraw/zinc/11/82/65/556118265.db2.gz GDNSHFYGRPVIRN-JCMHNJIXSA-N 0 0 447.629 6.157 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C ZINC000002847964 556147805 /nfs/dbraw/zinc/14/78/05/556147805.db2.gz WCKVXTCUHYLXBT-WOJGMQOQSA-N 0 0 433.982 5.457 50 10 IKCARN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S ZINC000002843943 556147861 /nfs/dbraw/zinc/14/78/61/556147861.db2.gz BXRVDNFCVYDQFE-RGEXLXHISA-N 0 0 433.982 5.409 50 10 IKCARN Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 ZINC000002962518 556151359 /nfs/dbraw/zinc/15/13/59/556151359.db2.gz WNHSRGBLHOLLBU-KGENOOAVSA-N 0 0 427.591 5.407 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1[N+](=O)[O-] ZINC000008384993 556160832 /nfs/dbraw/zinc/16/08/32/556160832.db2.gz LEVAFKURWQIKSD-MHWRWJLKSA-N 0 0 447.322 5.554 50 10 IKCARN O=C1C(Br)=CC(Cl)=CC1=NNc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008400617 556166192 /nfs/dbraw/zinc/16/61/92/556166192.db2.gz BKFKLCBVWMAIBO-FMQUCBEESA-N 0 0 444.738 5.008 50 10 IKCARN N=C1/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000008408026 556166803 /nfs/dbraw/zinc/16/68/03/556166803.db2.gz TXPVPBGUNSFNAV-FISJVANTSA-N 0 0 431.520 6.297 50 10 IKCARN CCc1c(Nc2ccccc2C(=O)c2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000008426536 556168872 /nfs/dbraw/zinc/16/88/72/556168872.db2.gz RAOJRCWPPZZEDK-UHFFFAOYSA-N 0 0 428.535 7.439 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000008426716 556169123 /nfs/dbraw/zinc/16/91/23/556169123.db2.gz DGBYBHFQPFLNJH-DENIHFKCSA-N 0 0 445.733 6.595 50 10 IKCARN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000008430450 556170504 /nfs/dbraw/zinc/17/05/04/556170504.db2.gz PIHJZCAHTZZOIQ-STZFKDTASA-N 0 0 447.922 5.777 50 10 IKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c(O)c2n1 ZINC000008432705 556172070 /nfs/dbraw/zinc/17/20/70/556172070.db2.gz YAKIHTLSDZJKPO-MHZLTWQESA-N 0 0 447.538 6.424 50 10 IKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c(O)c2n1 ZINC000008432701 556172118 /nfs/dbraw/zinc/17/21/18/556172118.db2.gz YAKIHTLSDZJKPO-HHHXNRCGSA-N 0 0 447.538 6.424 50 10 IKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccc(I)cc1 ZINC000008434799 556172775 /nfs/dbraw/zinc/17/27/75/556172775.db2.gz JHHFVGNTWDIUKC-UHFFFAOYSA-N 0 0 448.263 5.913 50 10 IKCARN Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(C)cc3C)c3ccccc3c2O)cc1 ZINC000008439134 556175266 /nfs/dbraw/zinc/17/52/66/556175266.db2.gz LIZVQDCTJAFNRR-UHFFFAOYSA-N 0 0 449.597 6.423 50 10 IKCARN Cc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3C)c(O)c3ccccc23)cc1 ZINC000008439323 556175431 /nfs/dbraw/zinc/17/54/31/556175431.db2.gz DDBRWNJISSPHTO-UHFFFAOYSA-N 0 0 449.597 6.423 50 10 IKCARN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000008442866 556177744 /nfs/dbraw/zinc/17/77/44/556177744.db2.gz HCGQPZPNGIDDLM-HYARGMPZSA-N 0 0 432.451 5.457 50 10 IKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000008443785 556178417 /nfs/dbraw/zinc/17/84/17/556178417.db2.gz RBPQWNGXGAXVKL-HHHXNRCGSA-N 0 0 449.531 5.934 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1 ZINC000008453158 556183867 /nfs/dbraw/zinc/18/38/67/556183867.db2.gz IMIAVEGYADITRV-HKOYGPOVSA-N 0 0 442.515 5.349 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 ZINC000008453156 556183873 /nfs/dbraw/zinc/18/38/73/556183873.db2.gz UKOGXBKIXPPTOS-LFVJCYFKSA-N 0 0 426.516 5.779 50 10 IKCARN Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000008454120 556184639 /nfs/dbraw/zinc/18/46/39/556184639.db2.gz NUNRFKNXAHVCNW-QHWMMSMNSA-N 0 0 444.600 6.239 50 10 IKCARN CCCCSc1nnc2c(n1)O[C@H](c1c(O)ccc3ccccc31)Nc1ccccc1-2 ZINC000008456315 556185842 /nfs/dbraw/zinc/18/58/42/556185842.db2.gz JKIGBLWAOQRVAK-JOCHJYFZSA-N 0 0 430.533 5.793 50 10 IKCARN CCCCSc1nnc2c(n1)O[C@@H](c1c(O)ccc3ccccc31)Nc1ccccc1-2 ZINC000008456314 556185894 /nfs/dbraw/zinc/18/58/94/556185894.db2.gz JKIGBLWAOQRVAK-QFIPXVFZSA-N 0 0 430.533 5.793 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccccc1 ZINC000008456277 556185941 /nfs/dbraw/zinc/18/59/41/556185941.db2.gz WAKXFSSJOQKGFH-STZFKDTASA-N 0 0 448.525 5.580 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C1/SC(C(=O)c2cccs2)=NN1c1ccccc1 ZINC000008636959 556195053 /nfs/dbraw/zinc/19/50/53/556195053.db2.gz BESTURYIFDEMMG-FCDQGJHFSA-N 0 0 444.541 5.132 50 10 IKCARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000008757304 556211249 /nfs/dbraw/zinc/21/12/49/556211249.db2.gz SETCPTBRVZSRSK-ITYLOYPMSA-N 0 0 432.527 5.908 50 10 IKCARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(/N=N/c2ccccc2)cc1 ZINC000008855503 556227422 /nfs/dbraw/zinc/22/74/22/556227422.db2.gz KAYUEYVHTDHPLM-ZQHSETAFSA-N 0 0 448.353 7.459 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000009186616 556250620 /nfs/dbraw/zinc/25/06/20/556250620.db2.gz BDGVJRKAMQMRAU-GNUZOCDUSA-N 0 0 436.514 5.817 50 10 IKCARN CCOc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1OC ZINC000009188927 556252090 /nfs/dbraw/zinc/25/20/90/556252090.db2.gz XGYUUVIITNBCBU-QJOMJCCJSA-N 0 0 436.577 5.019 50 10 IKCARN CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccc(O)cc3)n3c4ccccc4nc3C1=C2 ZINC000009275520 556271707 /nfs/dbraw/zinc/27/17/07/556271707.db2.gz HOJRTBOZQZXWRE-VWLOTQADSA-N 0 0 436.515 5.480 50 10 IKCARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)n2c3ccccc3nc2N1 ZINC000009288551 556273217 /nfs/dbraw/zinc/27/32/17/556273217.db2.gz GWGICVOTBQOJDA-XMMPIXPASA-N 0 0 441.510 5.169 50 10 IKCARN O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1cccc2ccccc21 ZINC000009310401 556278862 /nfs/dbraw/zinc/27/88/62/556278862.db2.gz ZBVGJGWPHBNLBB-WOJGMQOQSA-N 0 0 444.350 6.147 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 ZINC000009311257 556279658 /nfs/dbraw/zinc/27/96/58/556279658.db2.gz KOABGKKEWAMIMQ-XMHGGMMESA-N 0 0 432.317 5.929 50 10 IKCARN CC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c1C ZINC000009526119 556296993 /nfs/dbraw/zinc/29/69/93/556296993.db2.gz PPBPOEKENAKYEK-UHFFFAOYSA-N 0 0 437.495 5.695 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1O ZINC000009763584 556308518 /nfs/dbraw/zinc/30/85/18/556308518.db2.gz HCNQYPDQPAPFQN-JCMHNJIXSA-N 0 0 449.553 5.989 50 10 IKCARN N=C1/C(=C\c2ccc(Br)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000013788377 556309833 /nfs/dbraw/zinc/30/98/33/556309833.db2.gz XHTPASXKFLXSNL-ISFDWQSPSA-N 0 0 445.386 5.429 50 10 IKCARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000013804923 556311219 /nfs/dbraw/zinc/31/12/19/556311219.db2.gz JCMUKYPMMZAEEW-NVNXTCNLSA-N 0 0 429.872 5.773 50 10 IKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000013807035 556311590 /nfs/dbraw/zinc/31/15/90/556311590.db2.gz QXUCKOUUNUEQNG-ZQCYNNBZSA-N 0 0 442.544 5.196 50 10 IKCARN COc1c(Cl)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Cl ZINC000013810496 556311843 /nfs/dbraw/zinc/31/18/43/556311843.db2.gz DMGWUEDJXQDDFQ-KPLBSJHVSA-N 0 0 430.316 5.306 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000013810638 556312251 /nfs/dbraw/zinc/31/22/51/556312251.db2.gz PBFDSPZBXPSLPD-PHNMUWTHSA-N 0 0 442.519 5.538 50 10 IKCARN CCN(CC)S(=O)(=O)c1ccc(NN=C2C=C(Cl)C=C(Br)C2=O)cc1 ZINC000009833476 556312682 /nfs/dbraw/zinc/31/26/82/556312682.db2.gz KRBAMGDOZJABOZ-FMQUCBEESA-N 0 0 446.754 5.254 50 10 IKCARN COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000013881236 556326319 /nfs/dbraw/zinc/32/63/19/556326319.db2.gz ZUTABLRDWKMJPU-STZFKDTASA-N 0 0 447.537 5.320 50 10 IKCARN CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)c1ccccc1 ZINC000010212899 556327609 /nfs/dbraw/zinc/32/76/09/556327609.db2.gz OQDAPAQAWBCPJQ-RUZDIDTESA-N 0 0 430.456 5.152 50 10 biogenic IKCARN O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O ZINC000013895782 556329290 /nfs/dbraw/zinc/32/92/90/556329290.db2.gz CMZHLRFOVFYIBP-QGZVFWFLSA-N 0 0 427.323 5.208 50 10 IKCARN CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 ZINC000013896255 556329586 /nfs/dbraw/zinc/32/95/86/556329586.db2.gz PJQPYQZYHSUTGA-UYRXBGFRSA-N 0 0 448.009 5.584 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccccc1 ZINC000013896483 556329632 /nfs/dbraw/zinc/32/96/32/556329632.db2.gz AGDPKLYVQLXSRM-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(-c5ccc(F)cc5)o4)C3=N)S2)cc1 ZINC000013899090 556330804 /nfs/dbraw/zinc/33/08/04/556330804.db2.gz KNBSTZDEZJOHAA-QDLOHUEYSA-N 0 0 430.464 5.062 50 10 IKCARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000013941729 556338547 /nfs/dbraw/zinc/33/85/47/556338547.db2.gz DMBKIXDEHSKJIA-YBFXNURJSA-N 0 0 441.961 5.570 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000013941783 556338613 /nfs/dbraw/zinc/33/86/13/556338613.db2.gz MFFNJJHYZLMCBB-HMAPJEAMSA-N 0 0 435.570 5.649 50 10 IKCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000014010094 556354837 /nfs/dbraw/zinc/35/48/37/556354837.db2.gz LPWOXHVPFRSEFH-MOSHPQCFSA-N 0 0 440.971 5.466 50 10 IKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc43)cc1)N2 ZINC000014186366 556386140 /nfs/dbraw/zinc/38/61/40/556386140.db2.gz RCPYPCXIPJUEHV-XHWIWGEHSA-N 0 0 445.562 7.448 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 ZINC000032694317 556448488 /nfs/dbraw/zinc/44/84/88/556448488.db2.gz UOZJDNFHHAQJPJ-XMHGGMMESA-N 0 0 444.647 5.765 50 10 IKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000032694321 556448517 /nfs/dbraw/zinc/44/85/17/556448517.db2.gz PASKDXDOSGFEEU-GHRIWEEISA-N 0 0 434.583 5.288 50 10 IKCARN COc1ccc(O)c(CN2CC[C@@H](c3ccccc3F)Sc3cc(OC)ccc32)c1 ZINC000014880178 556453187 /nfs/dbraw/zinc/45/31/87/556453187.db2.gz DDYQRKBERCVVGU-QHCPKHFHSA-N 0 0 425.525 5.792 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1cccnc1 ZINC000015010813 556483097 /nfs/dbraw/zinc/48/30/97/556483097.db2.gz DYLCTXFYNYOAEF-ZDLGFXPLSA-N 0 0 446.475 5.762 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1Cc1cccnc1 ZINC000015010884 556483161 /nfs/dbraw/zinc/48/31/61/556483161.db2.gz SMXIREBSUUXNOS-MTJSOVHGSA-N 0 0 436.533 5.201 50 10 IKCARN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 ZINC000015010833 556483219 /nfs/dbraw/zinc/48/32/19/556483219.db2.gz UWFUMWIJUDWHKG-XKZIYDEJSA-N 0 0 432.570 5.370 50 10 IKCARN O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccccc1 ZINC000015011563 556483411 /nfs/dbraw/zinc/48/34/11/556483411.db2.gz HVZDWTWBSWKKBK-KGENOOAVSA-N 0 0 448.525 5.580 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccccc1 ZINC000015011552 556483454 /nfs/dbraw/zinc/48/34/54/556483454.db2.gz LHSMSSSJYMTSOU-GZTJUZNOSA-N 0 0 432.353 6.659 50 10 IKCARN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)cc1 ZINC000015011950 556483489 /nfs/dbraw/zinc/48/34/89/556483489.db2.gz AFTNTXWVUHNCCI-HAVVHWLPSA-N 0 0 428.488 5.710 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013141786 556486933 /nfs/dbraw/zinc/48/69/33/556486933.db2.gz TXVYANYQVKUWDA-UHFFFAOYSA-N 0 0 437.710 5.489 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013141791 556486976 /nfs/dbraw/zinc/48/69/76/556486976.db2.gz NEXMABDKXMDDLX-UHFFFAOYSA-N 0 0 446.286 5.169 50 10 IKCARN Nc1c(Sc2ccccc2)cc(Sc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000004421222 556506162 /nfs/dbraw/zinc/50/61/62/556506162.db2.gz XAJKSCYRAOFPAT-UHFFFAOYSA-N 0 0 439.561 6.347 50 10 in-vivo IKCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000013512825 556510850 /nfs/dbraw/zinc/51/08/50/556510850.db2.gz KKQFZVYERDTZSB-SXGWCWSVSA-N 0 0 425.453 5.128 50 10 IKCARN Cc1cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000013523409 556512417 /nfs/dbraw/zinc/51/24/17/556512417.db2.gz LGOWSXNWBLXCBN-UHFFFAOYSA-N 0 0 433.533 5.025 50 10 IKCARN OC1CCN(c2ccc(CNc3ccc(Br)cc3C(F)(F)F)cc2F)CC1 ZINC000072301813 556525739 /nfs/dbraw/zinc/52/57/39/556525739.db2.gz RXPSVDSANKQXPT-UHFFFAOYSA-N 0 0 447.270 5.180 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000031844627 556526822 /nfs/dbraw/zinc/52/68/22/556526822.db2.gz RJQCJRHXNXZWDJ-ANVLOLRKSA-N 0 0 433.320 5.673 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013590965 556529093 /nfs/dbraw/zinc/52/90/93/556529093.db2.gz ANUBAMYZSAOOSS-OLWAXZHHSA-N 0 0 440.373 5.634 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000013618534 556535898 /nfs/dbraw/zinc/53/58/98/556535898.db2.gz ZWJLWHQHPYWCIV-STZFKDTASA-N 0 0 449.601 5.468 50 10 IKCARN COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013634618 556540592 /nfs/dbraw/zinc/54/05/92/556540592.db2.gz KLLKBTDTOANIRJ-HWBMXIPRSA-N 0 0 432.545 5.323 50 10 IKCARN COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000015684768 556543356 /nfs/dbraw/zinc/54/33/56/556543356.db2.gz LKQAGUOYHQWJDW-MHWRWJLKSA-N 0 0 428.362 5.491 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000013646270 556543935 /nfs/dbraw/zinc/54/39/35/556543935.db2.gz ODNJDHVPKLZKRC-MOSHPQCFSA-N 0 0 435.574 5.077 50 10 IKCARN COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000032694310 556546666 /nfs/dbraw/zinc/54/66/66/556546666.db2.gz RTLXZCYIKNAANI-NBVRZTHBSA-N 0 0 446.619 5.157 50 10 IKCARN CC[C@@H](C)c1ccccc1OCCn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000015746796 556548442 /nfs/dbraw/zinc/54/84/42/556548442.db2.gz NFNRIUJBBWORJR-CAUNFOBBSA-N 0 0 436.602 5.723 50 10 IKCARN Cc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000015800419 556553046 /nfs/dbraw/zinc/55/30/46/556553046.db2.gz LEMXZJNINXTYGG-UNOMPAQXSA-N 0 0 433.982 5.246 50 10 IKCARN Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000015821823 556553954 /nfs/dbraw/zinc/55/39/54/556553954.db2.gz OQNQXFLPBUDTCY-HSZRJFAPSA-N 0 0 432.907 5.187 50 10 biogenic IKCARN CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000015947815 556568692 /nfs/dbraw/zinc/56/86/92/556568692.db2.gz GDAVIIMNADPHBO-RBHXEPJQSA-N 0 0 427.353 5.713 50 10 IKCARN O=C(OCCOc1ccc(Cl)cc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000016045117 556579269 /nfs/dbraw/zinc/57/92/69/556579269.db2.gz WGGSZXAFKVDDNR-UHFFFAOYSA-N 0 0 441.266 5.005 50 10 IKCARN COc1ccc(/C=C\C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 ZINC000034860737 556584303 /nfs/dbraw/zinc/58/43/03/556584303.db2.gz WGUNSZPAACSIAQ-NQBRTZROSA-N 0 0 446.444 5.949 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1 ZINC000032964143 556585280 /nfs/dbraw/zinc/58/52/80/556585280.db2.gz FZRFJDZPUGFECU-JJJWLNEWSA-N 0 0 432.336 5.203 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C2=N)S1 ZINC000032964191 556585525 /nfs/dbraw/zinc/58/55/25/556585525.db2.gz MPZXQXSFRBWTFJ-HUIBGQQWSA-N 0 0 446.363 5.593 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1 ZINC000032964374 556586885 /nfs/dbraw/zinc/58/68/85/556586885.db2.gz TYWALCBXWWZKOK-FEFLXVRVSA-N 0 0 432.336 5.059 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000032964412 556587000 /nfs/dbraw/zinc/58/70/00/556587000.db2.gz ITRYBEGQQLELSR-ONWPUYBOSA-N 0 0 427.533 5.296 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(Cl)ccc3Cl)C2=N)S1 ZINC000032964423 556587101 /nfs/dbraw/zinc/58/71/01/556587101.db2.gz ROIFXIUYWGYEQR-XMXHIQRUSA-N 0 0 446.363 5.449 50 10 IKCARN CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000032964460 556587214 /nfs/dbraw/zinc/58/72/14/556587214.db2.gz ALZBJJAFNUPBBV-DWCAQMBTSA-N 0 0 447.564 5.075 50 10 IKCARN COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1C ZINC000016192989 556588997 /nfs/dbraw/zinc/58/89/97/556588997.db2.gz LHALUEIMKDKDRZ-HMAPJEAMSA-N 0 0 434.586 5.504 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1 ZINC000016193073 556589004 /nfs/dbraw/zinc/58/90/04/556589004.db2.gz QUBQHQJQXTXVKD-UNOMPAQXSA-N 0 0 439.489 5.278 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000016247844 556593964 /nfs/dbraw/zinc/59/39/64/556593964.db2.gz VJMWCJVZKVVUKP-XKZIYDEJSA-N 0 0 434.442 5.359 50 10 IKCARN Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000016349141 556602000 /nfs/dbraw/zinc/60/20/00/556602000.db2.gz RFYBNTUVCRFBOJ-JCMHNJIXSA-N 0 0 445.565 5.616 50 10 IKCARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1CCc1ccccc1)c(C)n2C ZINC000016393192 556604810 /nfs/dbraw/zinc/60/48/10/556604810.db2.gz FDOXUSVDCROWCA-JQIJEIRASA-N 0 0 449.554 5.618 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000033656038 556618580 /nfs/dbraw/zinc/61/85/80/556618580.db2.gz KTOXWMUPMZQOEM-OOWUWCJESA-N 0 0 444.578 6.272 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000100552407 556618679 /nfs/dbraw/zinc/61/86/79/556618679.db2.gz YBIMEKZKOUXMSD-ZROIWOOFSA-N 0 0 447.745 5.431 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000033656039 556618691 /nfs/dbraw/zinc/61/86/91/556618691.db2.gz KTOXWMUPMZQOEM-NPRIEWAGSA-N 0 0 444.578 6.272 50 10 IKCARN COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000016672204 556621899 /nfs/dbraw/zinc/62/18/99/556621899.db2.gz YIKOBSATCXWBPI-VWLOTQADSA-N 0 0 439.939 5.219 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=N)S1 ZINC000033725725 556627373 /nfs/dbraw/zinc/62/73/73/556627373.db2.gz OWWNTDIYFPMIKF-QNCHGFICSA-N 0 0 445.523 5.104 50 10 IKCARN Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] ZINC000039936370 556630557 /nfs/dbraw/zinc/63/05/57/556630557.db2.gz NAULBUWJGXCSOS-OTPAQWSUSA-N 0 0 443.478 6.121 50 10 IKCARN CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OCC ZINC000016713631 556630612 /nfs/dbraw/zinc/63/06/12/556630612.db2.gz XAFMWKYLQPKDEI-NOEYKIMYSA-N 0 0 427.591 5.837 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S ZINC000016713530 556630615 /nfs/dbraw/zinc/63/06/15/556630615.db2.gz ARAPOJPBJLZXLU-BYDFVIOCSA-N 0 0 437.586 5.614 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1 ZINC000016713822 556630715 /nfs/dbraw/zinc/63/07/15/556630715.db2.gz SQKANABKWGZXNJ-ONUIUJJFSA-N 0 0 448.526 5.662 50 10 IKCARN COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000033757111 556630772 /nfs/dbraw/zinc/63/07/72/556630772.db2.gz FWDBQSSDNWFRQD-LPYMAVHISA-N 0 0 436.508 5.478 50 10 IKCARN COCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016750551 556637144 /nfs/dbraw/zinc/63/71/44/556637144.db2.gz BDQYKPZZFFOTDW-JYRVWZFOSA-N 0 0 446.775 5.086 50 10 IKCARN CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S ZINC000016790602 556642794 /nfs/dbraw/zinc/64/27/94/556642794.db2.gz GWLQAAWJVDPOKT-QGOAFFKASA-N 0 0 431.966 5.561 50 10 IKCARN O=C(NCC[NH+]1CCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031570 556711101 /nfs/dbraw/zinc/71/11/01/556711101.db2.gz JEGQPRJHLJSRDY-UHFFFAOYSA-N 0 0 427.592 5.239 50 10 IKCARN Cc1oc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000005182610 556722361 /nfs/dbraw/zinc/72/23/61/556722361.db2.gz KOVODEPKOKLRNT-AWEZNQCLSA-N 0 0 426.944 5.893 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033915637 556723954 /nfs/dbraw/zinc/72/39/54/556723954.db2.gz MVIIBGIZCZPPJB-HRRBDRACSA-N 0 0 425.945 5.023 50 10 IKCARN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000408822613 556751168 /nfs/dbraw/zinc/75/11/68/556751168.db2.gz PJIOPMFAIULADR-VGOFMYFVSA-N 0 0 428.749 5.688 50 10 IKCARN CS(=O)(=O)c1ccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000058018413 556754216 /nfs/dbraw/zinc/75/42/16/556754216.db2.gz UWIRNZMDEJRMHM-UHFFFAOYSA-N 0 0 431.901 5.007 50 10 IKCARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000001023098 556762121 /nfs/dbraw/zinc/76/21/21/556762121.db2.gz KKQFZVYERDTZSB-CXUHLZMHSA-N 0 0 425.453 5.128 50 10 IKCARN Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000003376378 556816316 /nfs/dbraw/zinc/81/63/16/556816316.db2.gz BRDOAMRQKYSLJX-UHFFFAOYSA-N 0 0 435.282 5.336 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=N)S1 ZINC000034387846 556826480 /nfs/dbraw/zinc/82/64/80/556826480.db2.gz WANPEWZRJXNQHE-GNMKNICSSA-N 0 0 427.533 5.109 50 10 IKCARN CC(C)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000334160510 556836747 /nfs/dbraw/zinc/83/67/47/556836747.db2.gz GIEQOLMDHCOLIB-ZDLGFXPLSA-N 0 0 447.423 5.843 50 10 IKCARN COc1ccc(C(=O)Nc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000096663474 556840326 /nfs/dbraw/zinc/84/03/26/556840326.db2.gz GNBMPPCPWDXBRC-RCCKNPSSSA-N 0 0 446.553 5.353 50 10 IKCARN COc1ccc(OC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000006973836 556840854 /nfs/dbraw/zinc/84/08/54/556840854.db2.gz QXWAPBSDZQIUAR-UHFFFAOYSA-N 0 0 430.463 6.317 50 10 IKCARN O=C1C(=CNc2ccc(Cl)c(F)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000006974315 556840875 /nfs/dbraw/zinc/84/08/75/556840875.db2.gz PHWCIOKQLCLWJO-UHFFFAOYSA-N 0 0 447.938 5.231 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)cc1 ZINC000008843401 556849721 /nfs/dbraw/zinc/84/97/21/556849721.db2.gz ABNOLAKKOIWOEF-UHFFFAOYSA-N 0 0 445.357 5.346 50 10 IKCARN COc1ccc(OC)c(-c2cc3c(n2-c2ccc(C(=O)NC4CC4)cc2)CCCCC3)c1 ZINC000033114851 556861702 /nfs/dbraw/zinc/86/17/02/556861702.db2.gz YUNULPCFMLLLGT-UHFFFAOYSA-N 0 0 430.548 5.323 50 10 IKCARN O=C(c1ccccc1Cl)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000408822870 556865570 /nfs/dbraw/zinc/86/55/70/556865570.db2.gz ZPSKCXHOPXERHS-VGOFMYFVSA-N 0 0 428.749 5.688 50 10 IKCARN O=C(Nc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)c1ccccc1Cl ZINC000036309025 556902418 /nfs/dbraw/zinc/90/24/18/556902418.db2.gz DZWWGYGJSYSNMN-RGEXLXHISA-N 0 0 425.941 5.049 50 10 IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21 ZINC000019791751 556915156 /nfs/dbraw/zinc/91/51/56/556915156.db2.gz QASQLTTYUJWQMY-UHFFFAOYSA-N 0 0 435.442 5.768 50 10 biogenic IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000019791776 556915239 /nfs/dbraw/zinc/91/52/39/556915239.db2.gz JJCYRYOLVFFJQF-UHFFFAOYSA-N 0 0 433.426 5.604 50 10 biogenic IKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc21 ZINC000019791411 556915258 /nfs/dbraw/zinc/91/52/58/556915258.db2.gz NRRKBENVNSVWOS-UHFFFAOYSA-N 0 0 435.442 5.669 50 10 IKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1 ZINC000019831066 556926421 /nfs/dbraw/zinc/92/64/21/556926421.db2.gz HPJLJMXSZHLXQQ-GFMRDNFCSA-N 0 0 439.584 5.064 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 ZINC000019878942 556936171 /nfs/dbraw/zinc/93/61/71/556936171.db2.gz FSVNRGYTDNJSHU-KGENOOAVSA-N 0 0 449.601 5.548 50 10 IKCARN CCc1ccc(Oc2c(=O)c3cc(CC)c([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc1 ZINC000019898865 556941462 /nfs/dbraw/zinc/94/14/62/556941462.db2.gz DTLOZFUOLXJQLG-UHFFFAOYSA-N 0 0 435.442 5.496 50 10 IKCARN CCCCN1C(=O)/C(=C(/C=C2\Sc3ccc(OC)cc3N2CC)CC)SC1=S ZINC000019912960 556943698 /nfs/dbraw/zinc/94/36/98/556943698.db2.gz DKZRHCIPNPEFTO-KQPRZUBISA-N 0 0 434.652 5.793 50 10 IKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000019927871 556945816 /nfs/dbraw/zinc/94/58/16/556945816.db2.gz ISGZRTUELPVLAY-QNGOZBTKSA-N 0 0 448.979 5.649 50 10 IKCARN Cc1ccc(OCCn2cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c3ccccc32)cc1C ZINC000020059482 556975574 /nfs/dbraw/zinc/97/55/74/556975574.db2.gz UVVZFZSPPVXLJD-ZVHZXABRSA-N 0 0 442.946 6.483 50 10 IKCARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033265475 556975760 /nfs/dbraw/zinc/97/57/60/556975760.db2.gz XKKMEOZWCCRNTC-DEOSSOPVSA-N 0 0 448.636 5.508 50 10 IKCARN CCn1c2ccccc2c2ccc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)cc21 ZINC000020096346 556979766 /nfs/dbraw/zinc/97/97/66/556979766.db2.gz AEMQDGCYKTXCOK-UHFFFAOYSA-N 0 0 434.952 6.075 50 10 IKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21 ZINC000020329108 557007874 /nfs/dbraw/zinc/00/78/74/557007874.db2.gz PSQOCDMLJRKTTP-SFHVURJKSA-N 0 0 425.956 5.816 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc(Br)c1OCC ZINC000033288727 557066099 /nfs/dbraw/zinc/06/60/99/557066099.db2.gz DBCGROGHGBXCOB-YVLHZVERSA-N 0 0 447.304 5.192 50 10 IKCARN CCOc1ccc(-n2c(C)c(C(=O)NCCc3ccccn3)cc2-c2ccccc2)cc1 ZINC000004753485 557078195 /nfs/dbraw/zinc/07/81/95/557078195.db2.gz JNFIKHPZDWWDPO-UHFFFAOYSA-N 0 0 425.532 5.219 50 10 IKCARN CC(C)c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000048990178 557083570 /nfs/dbraw/zinc/08/35/70/557083570.db2.gz ZMPAOVMTOWPAIP-UHFFFAOYSA-N 0 0 444.984 5.243 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000049593225 557114730 /nfs/dbraw/zinc/11/47/30/557114730.db2.gz SOZNPWVMIBKSHA-PQOWSYMHSA-N 0 0 441.354 5.024 50 10 IKCARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000033333406 557118271 /nfs/dbraw/zinc/11/82/71/557118271.db2.gz BPTSCPOBXYHLRR-HAHDFKILSA-N 0 0 428.488 5.626 50 10 IKCARN COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)c1 ZINC000033333407 557118306 /nfs/dbraw/zinc/11/83/06/557118306.db2.gz OBYUIUKQASODNT-DEDYPNTBSA-N 0 0 434.879 5.501 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001196171 557119901 /nfs/dbraw/zinc/11/99/01/557119901.db2.gz XHUJUZMMNHEFPO-JTDSTZFVSA-N 0 0 432.261 5.334 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1cccs1 ZINC000008672233 557120936 /nfs/dbraw/zinc/12/09/36/557120936.db2.gz OTGWKWLVMHNKNV-XMHGGMMESA-N 0 0 432.501 5.172 50 10 IKCARN Cc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Br)cn21 ZINC000004793950 557126092 /nfs/dbraw/zinc/12/60/92/557126092.db2.gz XFUWUYSPFGSDOW-UHFFFAOYSA-N 0 0 447.130 6.171 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccccc3N(C)C(C)(C)C2=S)S1 ZINC000033349852 557127686 /nfs/dbraw/zinc/12/76/86/557127686.db2.gz BKZXGYQIQNJGRG-OQKWZONESA-N 0 0 439.627 5.975 50 10 IKCARN O=C1N=C(Nc2ccccc2)SC1=Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000207097626 557178231 /nfs/dbraw/zinc/17/82/31/557178231.db2.gz OMZMBFWEZGVZJM-FMCGGJTJSA-N 0 0 430.573 5.942 50 10 IKCARN COc1ccc(-c2nc(-c3ccccc3)ncc2/N=N\c2ccc(C(F)(F)F)cc2)cc1 ZINC000100914029 557199958 /nfs/dbraw/zinc/19/99/58/557199958.db2.gz RDFXOUWQKOCTCL-KTMFPKCZSA-N 0 0 434.421 7.253 50 10 IKCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000025337200 557204831 /nfs/dbraw/zinc/20/48/31/557204831.db2.gz ACXMMIMAPMHYGB-ZIAGYGMSSA-N 0 0 428.882 5.058 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)cccc3Cl)c2C)cc1 ZINC000025390011 557207267 /nfs/dbraw/zinc/20/72/67/557207267.db2.gz HPCLBSGGRZMMPT-UHFFFAOYSA-N 0 0 432.303 5.449 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccccn2)C[C@H](C)CC3)c(OC)c1 ZINC000000798221 557213243 /nfs/dbraw/zinc/21/32/43/557213243.db2.gz YCCDOUZBZQDSCM-OAHLLOKOSA-N 0 0 437.565 5.150 50 10 IKCARN COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000101003500 557213256 /nfs/dbraw/zinc/21/32/56/557213256.db2.gz NMOWPBVOABGDTE-AWNIVKPZSA-N 0 0 430.118 6.115 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025558723 557214372 /nfs/dbraw/zinc/21/43/72/557214372.db2.gz VGXKXBKMGRGZBW-SIKLNZKXSA-N 0 0 445.733 6.595 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025559797 557214392 /nfs/dbraw/zinc/21/43/92/557214392.db2.gz DTJHCLKMMLTZFG-OXJNMPFZSA-N 0 0 445.700 5.643 50 10 IKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572784 557214983 /nfs/dbraw/zinc/21/49/83/557214983.db2.gz IEFJFGHRKIGBDM-SIKLNZKXSA-N 0 0 439.284 5.536 50 10 IKCARN Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000101060429 557218965 /nfs/dbraw/zinc/21/89/65/557218965.db2.gz FUPPOJVVPYHIHF-QFIPXVFZSA-N 0 0 441.369 6.643 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C2CCCCC2)c1)C1CCCCC1 ZINC000098087468 557233636 /nfs/dbraw/zinc/23/36/36/557233636.db2.gz OOJRSPMIYZBCIO-QVIHXGFCSA-N 0 0 432.568 7.140 50 10 IKCARN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000100165327 557245446 /nfs/dbraw/zinc/24/54/46/557245446.db2.gz BKZQXZGTUBEUEL-KSEXSDGBSA-N 0 0 437.326 6.379 50 10 IKCARN FC(F)(F)c1cc(/N=N/c2c(-c3ccccc3)cc3ccccn32)cc(C(F)(F)F)c1 ZINC000018191732 557246937 /nfs/dbraw/zinc/24/69/37/557246937.db2.gz GIXCNGDVVFGQGK-QVIHXGFCSA-N 0 0 433.355 8.059 50 10 IKCARN CN(C)c1ccc(C(=O)O/C(=C/c2nc3ccccc3s2)c2ccc(N(C)C)cc2)cc1 ZINC000069973612 557247091 /nfs/dbraw/zinc/24/70/91/557247091.db2.gz ZAXRJOYVPVPTRE-HAVVHWLPSA-N 0 0 443.572 5.783 50 10 IKCARN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000018194980 557247669 /nfs/dbraw/zinc/24/76/69/557247669.db2.gz ZSOMGOYODAJYLG-NTEUORMPSA-N 0 0 438.755 5.144 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccco1 ZINC000026965643 557252809 /nfs/dbraw/zinc/25/28/09/557252809.db2.gz NLPGGHIKSQJDGH-UNOMPAQXSA-N 0 0 449.582 5.595 50 10 IKCARN Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000026965762 557252903 /nfs/dbraw/zinc/25/29/03/557252903.db2.gz MHNOQLHXSBAWFE-JCMHNJIXSA-N 0 0 445.565 5.616 50 10 IKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000027018082 557254255 /nfs/dbraw/zinc/25/42/55/557254255.db2.gz MFXKTMIJBGJGQQ-JWGURIENSA-N 0 0 428.561 5.304 50 10 IKCARN COc1cccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1OC ZINC000027229387 557258918 /nfs/dbraw/zinc/25/89/18/557258918.db2.gz BKILFALSEJSRSM-GIDUJCDVSA-N 0 0 426.346 5.416 50 10 IKCARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000027229392 557259120 /nfs/dbraw/zinc/25/91/20/557259120.db2.gz NJQCZHQOPFOANQ-OMCISZLKSA-N 0 0 426.346 5.416 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000101122260 557260727 /nfs/dbraw/zinc/26/07/27/557260727.db2.gz YBIMEKZKOUXMSD-NTEUORMPSA-N 0 0 447.745 5.431 50 10 IKCARN Cc1ccc(Sc2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000100435937 557261394 /nfs/dbraw/zinc/26/13/94/557261394.db2.gz MWJRSUGHTOQPCG-UHFFFAOYSA-N 0 0 434.520 7.242 50 10 IKCARN O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2cccnc2)o1)c1ccccc1 ZINC000101123536 557283411 /nfs/dbraw/zinc/28/34/11/557283411.db2.gz SQJVYFPJKRITLV-DVMUUFOFSA-N 0 0 446.448 5.800 50 10 IKCARN CCN1c2c(ccc3ccccc23)S/C1=C/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000102133521 557299361 /nfs/dbraw/zinc/29/93/61/557299361.db2.gz RHUFKOXKFGBNMI-OZNQKUEASA-N 0 0 446.622 6.562 50 10 IKCARN COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccccc3)C2=S)cc1 ZINC000011667034 557303310 /nfs/dbraw/zinc/30/33/10/557303310.db2.gz ZISBEVMTVWDHTH-CAPFRKAQSA-N 0 0 440.590 5.731 50 10 IKCARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000101998974 557311419 /nfs/dbraw/zinc/31/14/19/557311419.db2.gz HBGAEZNOEGBBJK-MHZLTWQESA-N 0 0 445.607 6.591 50 10 IKCARN O=C(COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCCCC1 ZINC000014165833 557312135 /nfs/dbraw/zinc/31/21/35/557312135.db2.gz UINQBVNBGHZANO-QQNWGBJXSA-N 0 0 438.571 6.058 50 10 IKCARN CCN1c2c(ccc3ccccc23)S/C1=C\C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000102133511 557313418 /nfs/dbraw/zinc/31/34/18/557313418.db2.gz RHUFKOXKFGBNMI-SIBCGJTDSA-N 0 0 446.622 6.562 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc(N=c2c(C=O)coc3ccc(F)cc32)[nH]n1 ZINC000100133807 557331813 /nfs/dbraw/zinc/33/18/13/557331813.db2.gz SRUXJMVLERMJMJ-LVWGJNHUSA-N 0 0 432.480 5.476 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000033399389 557333907 /nfs/dbraw/zinc/33/39/07/557333907.db2.gz OSOXXRPXUJVZII-OVVQPSECSA-N 0 0 446.554 6.469 50 10 IKCARN Cc1cccc(/N=N\c2cnc(-c3cccnc3)nc2-c2ccc(Br)cc2)c1 ZINC000100145252 557334593 /nfs/dbraw/zinc/33/45/93/557334593.db2.gz ICSFALQOLFKWTQ-DQSJHHFOSA-N 0 0 430.309 6.692 50 10 IKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000222266791 557334958 /nfs/dbraw/zinc/33/49/58/557334958.db2.gz VUGPWWVPSRHYQI-QCUMIWAISA-N 0 0 449.348 6.252 50 10 IKCARN Cc1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)o1 ZINC000033403681 557334964 /nfs/dbraw/zinc/33/49/64/557334964.db2.gz SQEGOBAPAHPACT-DEDYPNTBSA-N 0 0 445.931 6.199 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000033417491 557340311 /nfs/dbraw/zinc/34/03/11/557340311.db2.gz WMZYIUOYIFEMRU-ICZFKYGZSA-N 0 0 430.942 5.359 50 10 IKCARN CCCCN(CC)C(=O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000023334651 557349733 /nfs/dbraw/zinc/34/97/33/557349733.db2.gz ZRCANPBRLYIBQN-UHFFFAOYSA-N 0 0 438.999 6.388 50 10 IKCARN COc1ccc(-n2c(CCC(=O)N3CCC[C@H](C)C3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023335416 557350295 /nfs/dbraw/zinc/35/02/95/557350295.db2.gz AJCNZDDHWAQWRK-IBGZPJMESA-N 0 0 436.983 5.997 50 10 IKCARN CCN(Cc1ccccc1)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 ZINC000033725119 557353913 /nfs/dbraw/zinc/35/39/13/557353913.db2.gz ZKVRGUPORNQYEE-UQQQWYQISA-N 0 0 429.951 6.173 50 10 IKCARN COc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000100193173 557363888 /nfs/dbraw/zinc/36/38/88/557363888.db2.gz HYYKKVKIIXTCSG-PXLXIMEGSA-N 0 0 449.963 5.840 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=N)S1 ZINC000033437890 557398060 /nfs/dbraw/zinc/39/80/60/557398060.db2.gz QRGHLOGNCJIGRQ-MHHBVAOCSA-N 0 0 439.972 5.557 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc21 ZINC000100313407 557398937 /nfs/dbraw/zinc/39/89/37/557398937.db2.gz QEBKDCZSXXIRCS-YZSQISJMSA-N 0 0 448.522 6.234 50 10 IKCARN COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1ccc(Cl)cc1 ZINC000100320563 557399607 /nfs/dbraw/zinc/39/96/07/557399607.db2.gz XFPJFXAOPLEEBA-PXLXIMEGSA-N 0 0 432.907 5.734 50 10 IKCARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000102928177 557410414 /nfs/dbraw/zinc/41/04/14/557410414.db2.gz ZJLUVKCEHIUFQW-WINIVTDRSA-N 0 0 443.978 7.035 50 10 IKCARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000102928174 557410459 /nfs/dbraw/zinc/41/04/59/557410459.db2.gz ZJLUVKCEHIUFQW-XHCCPWGMSA-N 0 0 443.978 7.035 50 10 IKCARN CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000102994310 557415999 /nfs/dbraw/zinc/41/59/99/557415999.db2.gz PRULTHQJMVFROH-SIFCLUCFSA-N 0 0 445.313 5.591 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000103067038 557417612 /nfs/dbraw/zinc/41/76/12/557417612.db2.gz ZWGHCWGHQBIICU-SDJCZLGBSA-N 0 0 430.430 5.497 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)c1 ZINC000103562869 557438937 /nfs/dbraw/zinc/43/89/37/557438937.db2.gz QZXLWERSGYMXMQ-KNQAVFIVSA-N 0 0 436.309 5.100 50 10 IKCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1cccs1 ZINC000103562687 557438984 /nfs/dbraw/zinc/43/89/84/557438984.db2.gz RWCIOJVTDOHHSH-UZLBHIALSA-N 0 0 427.323 5.459 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000103833617 557441820 /nfs/dbraw/zinc/44/18/20/557441820.db2.gz RVCGDZFPHDOVEM-HZHRSRAPSA-N 0 0 441.328 6.562 50 10 IKCARN COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000226849298 557809949 /nfs/dbraw/zinc/80/99/49/557809949.db2.gz VSNYNWKZXCVVPL-OTNCWRBYSA-N 0 0 430.935 6.427 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCCC2 ZINC000001152195 562920688 /nfs/dbraw/zinc/92/06/88/562920688.db2.gz YYSUFUXBEXLMRB-UHFFFAOYSA-N 0 0 430.957 6.055 50 10 IKCARN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O ZINC000002199953 562926305 /nfs/dbraw/zinc/92/63/05/562926305.db2.gz WNYYRVZLSZMJQM-KBPBESRZSA-N 0 0 435.549 5.120 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCCC3)c1 ZINC000002909624 562930474 /nfs/dbraw/zinc/93/04/74/562930474.db2.gz HTKDXTOLDHAJCB-UHFFFAOYSA-N 0 0 440.565 5.800 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)c(OC)c1 ZINC000002909416 562930476 /nfs/dbraw/zinc/93/04/76/562930476.db2.gz YWNLTXIYNLCPBD-UHFFFAOYSA-N 0 0 428.579 5.570 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCC3)c(OC)c1 ZINC000002909410 562930496 /nfs/dbraw/zinc/93/04/96/562930496.db2.gz FZASFWFRIPXILP-UHFFFAOYSA-N 0 0 440.540 5.648 50 10 IKCARN Cc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c(C)n1-c1ccccc1 ZINC000003289019 562933752 /nfs/dbraw/zinc/93/37/52/562933752.db2.gz UHHKFMQDERZJFL-UHFFFAOYSA-N 0 0 432.549 5.492 50 10 aggregator IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008683025 562961849 /nfs/dbraw/zinc/96/18/49/562961849.db2.gz ABKYLIUHKASZEZ-MOSHPQCFSA-N 0 0 444.403 5.101 50 10 aggregator IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019792870 563022969 /nfs/dbraw/zinc/02/29/69/563022969.db2.gz KHWDWMQAZPISJY-HNNXBMFYSA-N 0 0 447.453 5.993 50 10 IKCARN Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000952306 568645561 /nfs/dbraw/zinc/64/55/61/568645561.db2.gz DNDQEZSOXMZIBM-VWLOTQADSA-N 0 0 444.966 5.209 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 ZINC000001060674 568655817 /nfs/dbraw/zinc/65/58/17/568655817.db2.gz VTQLZGLULGXXFO-WQRHYEAKSA-N 0 0 426.450 5.400 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3cc(-c4ccccc4)ccc3OC)C2=O)ccc1O ZINC000001093656 568658594 /nfs/dbraw/zinc/65/85/94/568658594.db2.gz OXNRACRRLHPVFU-XKZIYDEJSA-N 0 0 449.553 5.482 50 10 IKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccco1 ZINC000001136100 568662194 /nfs/dbraw/zinc/66/21/94/568662194.db2.gz IYYKOELMEQXZGA-PDGQHHTCSA-N 0 0 441.917 5.558 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000001137062 568662405 /nfs/dbraw/zinc/66/24/05/568662405.db2.gz MGSBJBCJPWKIHT-NDENLUEZSA-N 0 0 441.961 5.913 50 10 IKCARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccco1 ZINC000001136675 568662432 /nfs/dbraw/zinc/66/24/32/568662432.db2.gz TYQHIRNQKZWGKC-YBEGLDIGSA-N 0 0 433.963 6.079 50 10 IKCARN CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S ZINC000015133593 568663747 /nfs/dbraw/zinc/66/37/47/568663747.db2.gz PSLUXWJYQPBIAU-DEDYPNTBSA-N 0 0 440.590 5.258 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCC1CCCC1 ZINC000001152530 568664262 /nfs/dbraw/zinc/66/42/62/568664262.db2.gz BOAYLFVXHVCZMY-UYRXBGFRSA-N 0 0 428.535 5.636 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000001186851 568736452 /nfs/dbraw/zinc/73/64/52/568736452.db2.gz GKFUBJUHZQOATQ-QNGOZBTKSA-N 0 0 438.618 5.486 50 10 IKCARN CC[C@@H](C)c1ccccc1OCCn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000001191365 568736543 /nfs/dbraw/zinc/73/65/43/568736543.db2.gz NFNRIUJBBWORJR-LRSOKBAUSA-N 0 0 436.602 5.723 50 10 IKCARN CC[C@H](C)c1ccccc1OCCn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000001191370 568736664 /nfs/dbraw/zinc/73/66/64/568736664.db2.gz NFNRIUJBBWORJR-VOMLJKFNSA-N 0 0 436.602 5.723 50 10 IKCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccco2)cc1 ZINC000044086167 568747376 /nfs/dbraw/zinc/74/73/76/568747376.db2.gz HLCKXCPESADUMG-UHFFFAOYSA-N 0 0 433.533 5.239 50 10 IKCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000044086260 568747620 /nfs/dbraw/zinc/74/76/20/568747620.db2.gz KZFNUDKHBXEVGC-UHFFFAOYSA-N 0 0 425.557 5.280 50 10 IKCARN Cc1csc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccccc2)n1 ZINC000044086328 568747883 /nfs/dbraw/zinc/74/78/83/568747883.db2.gz RLNSWYNRQGDRGA-UHFFFAOYSA-N 0 0 434.590 5.403 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccccc2)cc1 ZINC000044086322 568747914 /nfs/dbraw/zinc/74/79/14/568747914.db2.gz UFXORRPLJIICQH-UHFFFAOYSA-N 0 0 447.991 6.291 50 10 IKCARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1 ZINC000044086320 568747920 /nfs/dbraw/zinc/74/79/20/568747920.db2.gz JFKKHLOZFXBTIB-UHFFFAOYSA-N 0 0 427.573 5.946 50 10 IKCARN Brc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccccc2)cc1 ZINC000044086413 568748000 /nfs/dbraw/zinc/74/80/00/568748000.db2.gz SLAZECLJBLRKSQ-UHFFFAOYSA-N 0 0 435.390 6.653 50 10 IKCARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000003768802 568754450 /nfs/dbraw/zinc/75/44/50/568754450.db2.gz MDAFNNBLJAHSBD-RNEAKCBISA-N 0 0 448.407 6.032 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000003769493 568754664 /nfs/dbraw/zinc/75/46/64/568754664.db2.gz XRMPCAUYRTVBNJ-GIJQJNRQSA-N 0 0 437.945 5.681 50 10 IKCARN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)C(F)(F)F)cc1 ZINC000003880536 568754771 /nfs/dbraw/zinc/75/47/71/568754771.db2.gz XEFKQWGOXKOCHN-UHFFFAOYSA-N 0 0 441.541 5.781 50 10 IKCARN CCCCN1C(=O)/C(=C(\C=C2/Sc3ccc(OC)cc3N2CC)CC)SC1=S ZINC000004048101 568759867 /nfs/dbraw/zinc/75/98/67/568759867.db2.gz DKZRHCIPNPEFTO-ZUQSFNSISA-N 0 0 434.652 5.793 50 10 IKCARN COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000004062914 568760024 /nfs/dbraw/zinc/76/00/24/568760024.db2.gz VSNYNWKZXCVVPL-RQTOMXEWSA-N 0 0 430.935 6.427 50 10 IKCARN CC(C)(C)c1ccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000001245110 568774745 /nfs/dbraw/zinc/77/47/45/568774745.db2.gz DAQGPZVYZXMDEA-STZFKDTASA-N 0 0 436.602 5.507 50 10 IKCARN Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000001249005 568774934 /nfs/dbraw/zinc/77/49/34/568774934.db2.gz JRIOHUGAMKOONO-UHFFFAOYSA-N 0 0 426.497 6.163 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000083333346 568780175 /nfs/dbraw/zinc/78/01/75/568780175.db2.gz ATDRYCILIMFDAR-NDENLUEZSA-N 0 0 429.973 5.601 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000032109402 568781222 /nfs/dbraw/zinc/78/12/22/568781222.db2.gz JWMZUHRCYYKYEM-PLGCPLCWSA-N 0 0 433.320 5.529 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)c(Cc3cccc(F)c3)c(C)n2n1 ZINC000001394465 568785488 /nfs/dbraw/zinc/78/54/88/568785488.db2.gz AWBNBKRJGRQXRB-UHFFFAOYSA-N 0 0 430.552 6.212 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-n3cncn3)c(-c3ccccc3)n2n1 ZINC000001398957 568785778 /nfs/dbraw/zinc/78/57/78/568785778.db2.gz JNONYXAKPJSXQX-UHFFFAOYSA-N 0 0 437.532 5.113 50 10 IKCARN O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000084522603 568798295 /nfs/dbraw/zinc/79/82/95/568798295.db2.gz UQCITIDNPFDASO-VWLOTQADSA-N 0 0 439.471 5.027 50 10 IKCARN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc(Cl)cc1Cl ZINC000001452282 568818781 /nfs/dbraw/zinc/81/87/81/568818781.db2.gz VFAPTMVPRNRZCO-APSNUPSMSA-N 0 0 448.356 5.021 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3cc(C)c4ccccc4n3)c2C)cc1 ZINC000001465391 568820147 /nfs/dbraw/zinc/82/01/47/568820147.db2.gz CMEBPANHUKHGPL-UHFFFAOYSA-N 0 0 444.556 5.712 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1ccc(F)cc1 ZINC000001466060 568820206 /nfs/dbraw/zinc/82/02/06/568820206.db2.gz NNYZGRGZMVCERX-UHFFFAOYSA-N 0 0 444.535 5.713 50 10 IKCARN COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000013389320 568824087 /nfs/dbraw/zinc/82/40/87/568824087.db2.gz MEFSZRVSQIJVBG-PJIJBLCYSA-N 0 0 433.289 5.135 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=N)S1 ZINC000015855800 568845264 /nfs/dbraw/zinc/84/52/64/568845264.db2.gz MBDZGIKZHDHASV-QGUUBAPPSA-N 0 0 436.512 5.214 50 10 IKCARN CN(C)c1ccc([C@H]2CC(c3ccc(Oc4ccccc4)cc3)=NN2c2ccccc2)cc1 ZINC000006135998 568845267 /nfs/dbraw/zinc/84/52/67/568845267.db2.gz SZOGPWJHHZVRAM-GDLZYMKVSA-N 0 0 433.555 6.901 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363136 568866423 /nfs/dbraw/zinc/86/64/23/568866423.db2.gz GKGXRKGMHJWPCX-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362945 568866428 /nfs/dbraw/zinc/86/64/28/568866428.db2.gz IPRWOGKLDASVPD-GMAHTHKFSA-N 0 0 427.331 5.930 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053362994 568866430 /nfs/dbraw/zinc/86/64/30/568866430.db2.gz LHKFLWITZTXWMU-IRLDBZIGSA-N 0 0 441.756 6.031 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1 ZINC000053363032 568866434 /nfs/dbraw/zinc/86/64/34/568866434.db2.gz LUORFBZPFSYLMJ-IFMALSPDSA-N 0 0 425.301 5.516 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363537 568866625 /nfs/dbraw/zinc/86/66/25/568866625.db2.gz LMENDBNAIUZLFE-NOZRDPDXSA-N 0 0 448.950 5.617 50 10 IKCARN COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363342 568866674 /nfs/dbraw/zinc/86/66/74/568866674.db2.gz KSGPNRNCZNNXLW-JTHBVZDNSA-N 0 0 437.337 5.386 50 10 IKCARN COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363399 568866678 /nfs/dbraw/zinc/86/66/78/568866678.db2.gz BELSYEXBRQMBIE-FYYLOGMGSA-N 0 0 437.337 5.386 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363535 568866685 /nfs/dbraw/zinc/86/66/85/568866685.db2.gz LMENDBNAIUZLFE-UKILVPOCSA-N 0 0 448.950 5.617 50 10 IKCARN COC(=O)c1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Cl)ccc3O)N2)cc1 ZINC000053364663 568866781 /nfs/dbraw/zinc/86/67/81/568866781.db2.gz MNMDESKCUPUODS-UPVQGACJSA-N 0 0 434.923 5.363 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000053363576 568866800 /nfs/dbraw/zinc/86/68/00/568866800.db2.gz AVSFUACDDLSCDE-RBBKRZOGSA-N 0 0 441.756 6.031 50 10 IKCARN COC(=O)c1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Cl)ccc3O)N2)cc1 ZINC000053364652 568866889 /nfs/dbraw/zinc/86/68/89/568866889.db2.gz MNMDESKCUPUODS-ISKFKSNPSA-N 0 0 434.923 5.363 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363998 568866896 /nfs/dbraw/zinc/86/68/96/568866896.db2.gz ROCJHQMCWKHAER-JYFHCDHNSA-N 0 0 434.511 5.551 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2cccc(Br)c2)N1 ZINC000053363580 568866908 /nfs/dbraw/zinc/86/69/08/568866908.db2.gz AVSFUACDDLSCDE-UNMCSNQZSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3C)N2)c1O ZINC000053363973 568866917 /nfs/dbraw/zinc/86/69/17/568866917.db2.gz XPTZKBJWHWMSEK-JYFHCDHNSA-N 0 0 434.967 6.284 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3cccnc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364885 568866971 /nfs/dbraw/zinc/86/69/71/568866971.db2.gz FKXBSPNSQDPGIL-JTHBVZDNSA-N 0 0 436.353 5.335 50 10 IKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000585152348 568872928 /nfs/dbraw/zinc/87/29/28/568872928.db2.gz RURZHNJMOCMVOO-XDHOZWIPSA-N 0 0 433.360 6.242 50 10 IKCARN COc1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000006397312 568876071 /nfs/dbraw/zinc/87/60/71/568876071.db2.gz IHUQMSMIRSMDBD-PZVJUEDKSA-N 0 0 444.918 5.787 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C1CCCCC1 ZINC000016398767 568888044 /nfs/dbraw/zinc/88/80/44/568888044.db2.gz DDYVFHADHINGME-PDGQHHTCSA-N 0 0 437.508 6.499 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000026608012 568892766 /nfs/dbraw/zinc/89/27/66/568892766.db2.gz KLPBEOSZXGBESI-JCMHNJIXSA-N 0 0 433.554 5.680 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000001795100 568908075 /nfs/dbraw/zinc/90/80/75/568908075.db2.gz DKVOODANIVTKOC-CPEHUTGBSA-N 0 0 441.618 5.972 50 10 IKCARN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5o4)c(=O)oc31)C2 ZINC000001799123 568908279 /nfs/dbraw/zinc/90/82/79/568908279.db2.gz ZQZBEZCZTRKITD-SOKVYYICSA-N 0 0 444.531 5.707 50 10 biogenic IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577454 568909751 /nfs/dbraw/zinc/90/97/51/568909751.db2.gz PWGZGULYMMNJJP-JYFHCDHNSA-N 0 0 426.903 6.441 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccccc1 ZINC000002054278 568940915 /nfs/dbraw/zinc/94/09/15/568940915.db2.gz VKFUPNLKOGRRAK-ODLFYWEKSA-N 0 0 446.380 6.655 50 10 IKCARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002059061 568940957 /nfs/dbraw/zinc/94/09/57/568940957.db2.gz KQOVBHJKSLXETN-OQKWZONESA-N 0 0 425.484 5.343 50 10 IKCARN CC(C)OCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1 ZINC000006782109 568985228 /nfs/dbraw/zinc/98/52/28/568985228.db2.gz JDYRWDDWFCSXTC-OAQYLSRUSA-N 0 0 430.592 5.814 50 10 IKCARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)[C@@H]1C ZINC000006782037 568985252 /nfs/dbraw/zinc/98/52/52/568985252.db2.gz LYGPTKUKZCLVNO-IPVFLDMMSA-N 0 0 426.604 6.578 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 ZINC000006798443 568990211 /nfs/dbraw/zinc/99/02/11/568990211.db2.gz UEKQAQJSUPSPAN-XNTDXEJSSA-N 0 0 437.327 5.005 50 10 IKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000169682381 568998944 /nfs/dbraw/zinc/99/89/44/568998944.db2.gz ATXKHFUYBJMLAL-QCUMIWAISA-N 0 0 438.796 6.997 50 10 IKCARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2O)c1 ZINC000036348454 569081851 /nfs/dbraw/zinc/08/18/51/569081851.db2.gz UGUCCAKTMTZTMG-OAQYLSRUSA-N 0 0 432.307 5.404 50 10 IKCARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2O)c1 ZINC000036348456 569081863 /nfs/dbraw/zinc/08/18/63/569081863.db2.gz UGUCCAKTMTZTMG-NRFANRHFSA-N 0 0 432.307 5.404 50 10 IKCARN O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccc(F)c(Cl)c1 ZINC000036357701 569085118 /nfs/dbraw/zinc/08/51/18/569085118.db2.gz ASGWDQJHHALNNG-UHFFFAOYSA-N 0 0 434.902 5.491 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000065080290 569101305 /nfs/dbraw/zinc/10/13/05/569101305.db2.gz PCMAFFISGVLIAI-LJQANCHMSA-N 0 0 439.515 5.499 50 10 IKCARN COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4c4cccnc4)c3oc2=O)cc1 ZINC000036584548 569119801 /nfs/dbraw/zinc/11/98/01/569119801.db2.gz IJXJLSYYFJGVIV-XMMPIXPASA-N 0 0 442.515 5.296 50 10 IKCARN COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000014186268 569158116 /nfs/dbraw/zinc/15/81/16/569158116.db2.gz RGAIBFLEFABAIK-UMFSSWHCSA-N 0 0 431.963 7.063 50 10 IKCARN COc1cc(-c2c3c(nc4ccc5ccccc5c42)-c2ccccc2C3=O)ccc1OC(C)=O ZINC000002869492 569177500 /nfs/dbraw/zinc/17/75/00/569177500.db2.gz BCNKTKXLYNFUBV-UHFFFAOYSA-N 0 0 445.474 6.200 50 10 IKCARN CC1(C)OC(=O)C(=CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)C(=O)O1 ZINC000002098089 569179432 /nfs/dbraw/zinc/17/94/32/569179432.db2.gz LZMZQJJMHUSGTQ-HSZRJFAPSA-N 0 0 448.563 5.102 50 10 biogenic IKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002120829 569183425 /nfs/dbraw/zinc/18/34/25/569183425.db2.gz XWUPMXCMJIJEAD-UHFFFAOYSA-N 0 0 441.527 6.304 50 10 biogenic IKCARN COc1cc(OC)c(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1Cl ZINC000002120725 569183438 /nfs/dbraw/zinc/18/34/38/569183438.db2.gz HRAPQPBKNRXQGP-UHFFFAOYSA-N 0 0 441.911 5.007 50 10 biogenic IKCARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(Cl)c(OC)cc1OC)CO3 ZINC000002123809 569183676 /nfs/dbraw/zinc/18/36/76/569183676.db2.gz OJSHYNHVECUUHI-UHFFFAOYSA-N 0 0 429.900 5.081 50 10 biogenic IKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000002666931 569185995 /nfs/dbraw/zinc/18/59/95/569185995.db2.gz GDWVFUBUKLCCAI-XLNRJJMWSA-N 0 0 447.629 6.321 50 10 IKCARN Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000037384609 569192067 /nfs/dbraw/zinc/19/20/67/569192067.db2.gz JDXCQLSHRJJNPH-UHFFFAOYSA-N 0 0 428.389 5.253 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000002201171 569192530 /nfs/dbraw/zinc/19/25/30/569192530.db2.gz VCRHLVZKHTUHEI-KRWDZBQOSA-N 0 0 448.588 6.102 50 10 IKCARN COc1ccc(Nc2cc(NC[Si](C)(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000195814794 569205821 /nfs/dbraw/zinc/20/58/21/569205821.db2.gz NUZXUWHDTVPCFV-UHFFFAOYSA-N 0 0 443.579 6.081 50 10 IKCARN O=C(Oc1ccc2ccccc2c1N=Nc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000252637410 569208205 /nfs/dbraw/zinc/20/82/05/569208205.db2.gz XSRGNVXJWRHTNC-UHFFFAOYSA-N 0 0 432.823 6.431 50 10 IKCARN CCCCCCC(=O)Nc1ccc(N=Nc2ccccc2)c(NC(=O)CCCCCC)c1 ZINC000252638487 569208347 /nfs/dbraw/zinc/20/83/47/569208347.db2.gz YDDGFSIPAIZZGP-UHFFFAOYSA-N 0 0 436.600 7.920 50 10 IKCARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000002234338 569211238 /nfs/dbraw/zinc/21/12/38/569211238.db2.gz OVMTYXTUUIVOPG-VVFBEHOQSA-N 0 0 437.524 5.569 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 ZINC000001070853 569212381 /nfs/dbraw/zinc/21/23/81/569212381.db2.gz AYCZXTNVLUGTNB-FRKPEAEDSA-N 0 0 426.346 5.416 50 10 IKCARN O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1ccco1 ZINC000002904584 569212843 /nfs/dbraw/zinc/21/28/43/569212843.db2.gz DJDRIORDSPGRII-WOJGMQOQSA-N 0 0 441.917 5.558 50 10 IKCARN CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 ZINC000003021061 569213182 /nfs/dbraw/zinc/21/31/82/569213182.db2.gz OIAMLFJUPROCEM-UHFFFAOYSA-N 0 0 444.487 5.209 50 10 IKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000002252886 569215051 /nfs/dbraw/zinc/21/50/51/569215051.db2.gz VNEQDHUDSJGPSY-UYRXBGFRSA-N 0 0 437.615 5.530 50 10 IKCARN O=C1C(=CNc2ccc(F)c(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000002260747 569215699 /nfs/dbraw/zinc/21/56/99/569215699.db2.gz KVVZOCNANMEHTK-UHFFFAOYSA-N 0 0 447.938 5.231 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000027519453 569217958 /nfs/dbraw/zinc/21/79/58/569217958.db2.gz DOENNJNBVCRMPD-XMHGGMMESA-N 0 0 432.317 5.929 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl ZINC000027519430 569218018 /nfs/dbraw/zinc/21/80/18/569218018.db2.gz SVNWXXOQFVDFBZ-GHRIWEEISA-N 0 0 426.730 7.118 50 10 IKCARN COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC ZINC000027521679 569218199 /nfs/dbraw/zinc/21/81/99/569218199.db2.gz DYVDQMQACJKYFC-STZFKDTASA-N 0 0 442.515 5.164 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000027521134 569218311 /nfs/dbraw/zinc/21/83/11/569218311.db2.gz MZUDSSVEFLHRHX-ULJHMMPZSA-N 0 0 446.953 6.965 50 10 IKCARN COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2cccc(Cl)c2C)c1 ZINC000027521804 569218863 /nfs/dbraw/zinc/21/88/63/569218863.db2.gz DJHGAHMRZRZCCY-QNGOZBTKSA-N 0 0 432.907 5.500 50 10 IKCARN O=C1c2cc3ccccc3cc2C(=O)[C@H]2C[C@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@H]3C[C@@H]12 ZINC000043214914 569257879 /nfs/dbraw/zinc/25/78/79/569257879.db2.gz RSFWPFAWCIUFIO-FATVKVNYSA-N 0 0 444.486 5.710 50 10 IKCARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1ccc(I)o1)N2 ZINC000002283403 569263737 /nfs/dbraw/zinc/26/37/37/569263737.db2.gz JPIPREULRGGIBP-KRWDZBQOSA-N 0 0 425.310 5.982 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCSc1ccc(C)cc1 ZINC000027531648 569266084 /nfs/dbraw/zinc/26/60/84/569266084.db2.gz LBKAIKAHMFWERX-CPNJWEJPSA-N 0 0 431.604 5.006 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000027533806 569267018 /nfs/dbraw/zinc/26/70/18/569267018.db2.gz ZKNDJLKQTHBOEL-UJADIJFVSA-N 0 0 433.320 5.673 50 10 IKCARN COc1ccc(CNc2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000002292965 569268287 /nfs/dbraw/zinc/26/82/87/569268287.db2.gz KLFXVGBRAUGTOF-UHFFFAOYSA-N 0 0 447.494 6.404 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239339136 569268875 /nfs/dbraw/zinc/26/88/75/569268875.db2.gz LTANIYNVENJTCN-PDLBJYQGSA-N 0 0 446.388 6.546 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Cl)cc1 ZINC000245377245 569269833 /nfs/dbraw/zinc/26/98/33/569269833.db2.gz JMZLFTVBMPZFSD-IZZBFERCSA-N 0 0 445.946 5.533 50 10 IKCARN Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1Cl ZINC000250509720 569271213 /nfs/dbraw/zinc/27/12/13/569271213.db2.gz OOLWDDHOESJTDM-XYAFAWIUSA-N 0 0 444.405 8.041 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1C(F)(F)F)CCN2Cc1cnn(C)c1 ZINC000299791506 569283630 /nfs/dbraw/zinc/28/36/30/569283630.db2.gz GOTYBNLSUGYFKP-HXUWFJFHSA-N 0 0 433.499 5.691 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1ccccc1OC ZINC000299774034 569283635 /nfs/dbraw/zinc/28/36/35/569283635.db2.gz FCJDXYOUQQEHQZ-XMMPIXPASA-N 0 0 435.545 5.676 50 10 IKCARN COc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3cc(OC)ccc32)cc1 ZINC000299801709 569283723 /nfs/dbraw/zinc/28/37/23/569283723.db2.gz QIBRGUPHGRUQEF-DEOSSOPVSA-N 0 0 435.545 5.676 50 10 IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1ccncc1 ZINC000334157342 569285697 /nfs/dbraw/zinc/28/56/97/569285697.db2.gz DNBUJNIKIDDXGH-ZBSNLJDVSA-N 0 0 429.461 5.093 50 10 IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1cccnc1 ZINC000334157345 569285740 /nfs/dbraw/zinc/28/57/40/569285740.db2.gz KCAUQVXILGURPS-ZBSNLJDVSA-N 0 0 429.461 5.093 50 10 IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1ccccc1 ZINC000334157351 569285773 /nfs/dbraw/zinc/28/57/73/569285773.db2.gz XBLVSXCXXQVUGK-UASJYCSOSA-N 0 0 428.473 5.698 50 10 IKCARN Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002381781 569292681 /nfs/dbraw/zinc/29/26/81/569292681.db2.gz IASULAINUXJMIE-JXAWBTAJSA-N 0 0 430.620 5.457 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1 ZINC000011868501 569303142 /nfs/dbraw/zinc/30/31/42/569303142.db2.gz OBIADAXJYVPFDF-CQSZACIVSA-N 0 0 447.453 5.567 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)cc1 ZINC000002448084 569304603 /nfs/dbraw/zinc/30/46/03/569304603.db2.gz YUAHBDPUEDTALI-CLCOLTQESA-N 0 0 427.573 5.712 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013148385 569312072 /nfs/dbraw/zinc/31/20/72/569312072.db2.gz KJLWORVJHRRGAE-UHFFFAOYSA-N 0 0 446.286 5.169 50 10 IKCARN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013305547 569312879 /nfs/dbraw/zinc/31/28/79/569312879.db2.gz YCLXIDCWTXFDER-UHFFFAOYSA-N 0 0 449.462 5.272 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCCC4)c3oc2C(F)(F)F)cc1 ZINC000019792867 569329412 /nfs/dbraw/zinc/32/94/12/569329412.db2.gz YUNDLBHPFAEIRY-UHFFFAOYSA-N 0 0 447.453 5.994 50 10 IKCARN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+](CC)CC)c3oc2C(F)(F)F)cc1 ZINC000019793033 569329431 /nfs/dbraw/zinc/32/94/31/569329431.db2.gz MDWVXZPARGVMMJ-UHFFFAOYSA-N 0 0 435.442 5.714 50 10 IKCARN O=C(Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1)c1cccc(Br)c1 ZINC000019855285 569330539 /nfs/dbraw/zinc/33/05/39/569330539.db2.gz DGBCSMZAVOXZIP-UHFFFAOYSA-N 0 0 447.336 5.071 50 10 IKCARN O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000079497668 569331541 /nfs/dbraw/zinc/33/15/41/569331541.db2.gz WKOJGDBBKDMQJW-UHFFFAOYSA-N 0 0 445.475 5.715 50 10 IKCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccs1 ZINC000020070775 569333373 /nfs/dbraw/zinc/33/33/73/569333373.db2.gz RWCIOJVTDOHHSH-OXQOHEQNSA-N 0 0 427.323 5.459 50 10 IKCARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1OC ZINC000020070783 569333396 /nfs/dbraw/zinc/33/33/96/569333396.db2.gz JFOCPAHVCOGNAJ-CYFREDJKSA-N 0 0 436.895 5.305 50 10 IKCARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)c1OC ZINC000020070715 569333406 /nfs/dbraw/zinc/33/34/06/569333406.db2.gz IGIKCDMWPFJRJZ-DVECYGJZSA-N 0 0 436.895 5.305 50 10 IKCARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020071048 569333533 /nfs/dbraw/zinc/33/35/33/569333533.db2.gz WYLSVGATGUUWJC-FQRUVTKNSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071397 569333692 /nfs/dbraw/zinc/33/36/92/569333692.db2.gz DOOLPJRQNSCMEW-GJZUVCINSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1OC ZINC000020071288 569333722 /nfs/dbraw/zinc/33/37/22/569333722.db2.gz UZSFQVXPKOLXMM-RLWLMLJZSA-N 0 0 446.503 5.050 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OCC)cc3)C2=N)S1 ZINC000020210571 569356137 /nfs/dbraw/zinc/35/61/37/569356137.db2.gz LIWNOMOOPBUPAT-HUBONXQRSA-N 0 0 435.553 5.075 50 10 IKCARN N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000020238806 569357586 /nfs/dbraw/zinc/35/75/86/569357586.db2.gz FRLKRDQHBWJRCI-SDWZUDADSA-N 0 0 435.574 6.009 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1F ZINC000020324797 569360397 /nfs/dbraw/zinc/36/03/97/569360397.db2.gz AWECGBVDKWMORE-PDGQHHTCSA-N 0 0 427.547 6.117 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=N)S1 ZINC000080348150 569363254 /nfs/dbraw/zinc/36/32/54/569363254.db2.gz LBKHMUGTHFRQMF-UYAJQHSGSA-N 0 0 446.363 5.430 50 10 IKCARN O=C(Nc1c2ccccc2nc2ccccc21)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020415958 569364619 /nfs/dbraw/zinc/36/46/19/569364619.db2.gz WGACBFZLQPPIFO-UHFFFAOYSA-N 0 0 429.483 5.617 50 10 IKCARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N(Cc1ccccn1)c1ccc(F)cc1F ZINC000096035577 569381036 /nfs/dbraw/zinc/38/10/36/569381036.db2.gz DBJQUDYQQVXEHH-OWBHPGMISA-N 0 0 444.485 5.409 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000096568954 569401491 /nfs/dbraw/zinc/40/14/91/569401491.db2.gz BWZFGIAKDYDOGS-YDZHTSKRSA-N 0 0 434.536 6.087 50 10 IKCARN CC(=O)[C@H](CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002616056 569410133 /nfs/dbraw/zinc/41/01/33/569410133.db2.gz AJTPKCWNGADTNE-QHCPKHFHSA-N 0 0 436.939 5.473 50 10 IKCARN Nc1c2cc3c(nc2sc1C(=O)Oc1ccc(F)cc1F)CC[C@@H](c1ccccc1)C3 ZINC000215681846 569411956 /nfs/dbraw/zinc/41/19/56/569411956.db2.gz QFQJZLOFNXDCDL-CQSZACIVSA-N 0 0 436.483 5.648 50 10 IKCARN COc1ccccc1Nc1nc(-c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cs1 ZINC000002646518 569414297 /nfs/dbraw/zinc/41/42/97/569414297.db2.gz RWPXFVKBDGKCJR-UHFFFAOYSA-N 0 0 441.503 6.571 50 10 IKCARN Cc1cc(-c2csc(NCc3ccc(C)cc3)n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002647246 569414329 /nfs/dbraw/zinc/41/43/29/569414329.db2.gz KSIUXZHZWJLLSW-UHFFFAOYSA-N 0 0 439.531 6.740 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000002666247 569416478 /nfs/dbraw/zinc/41/64/78/569416478.db2.gz FIQZJFNKDJRREJ-IYBDPMFKSA-N 0 0 448.588 6.101 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(C[NH+]2CCCCC2)c1[O-] ZINC000002667122 569416592 /nfs/dbraw/zinc/41/65/92/569416592.db2.gz GJAJCKRYMOYFAI-UHFFFAOYSA-N 0 0 434.561 5.632 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C(\C)c3ccc(Br)cc3)SC2=S)cc1 ZINC000002700286 569417312 /nfs/dbraw/zinc/41/73/12/569417312.db2.gz RFICBRQEOIZEDN-ATVHPVEESA-N 0 0 434.380 5.644 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/C(Br)=C/c2ccccc2)SC1=S ZINC000002833853 569423218 /nfs/dbraw/zinc/42/32/18/569423218.db2.gz FIVSUHFOGOGDKV-AMHNRXTASA-N 0 0 432.364 5.380 50 10 IKCARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 ZINC000002911255 569424824 /nfs/dbraw/zinc/42/48/24/569424824.db2.gz KIVSPYDNNYNCLW-QHCPKHFHSA-N 0 0 449.624 6.170 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)c1C ZINC000002929038 569425979 /nfs/dbraw/zinc/42/59/79/569425979.db2.gz YNOXTFAKSOHUEF-KBMIEXCESA-N 0 0 444.575 5.938 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)c1C ZINC000002929040 569425996 /nfs/dbraw/zinc/42/59/96/569425996.db2.gz YNOXTFAKSOHUEF-DFBJGRDBSA-N 0 0 444.575 5.938 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)NCc3ccco3)cc2)c1C ZINC000002929394 569426013 /nfs/dbraw/zinc/42/60/13/569426013.db2.gz OMUFDGWLLIXYKZ-UHFFFAOYSA-N 0 0 428.488 5.152 50 10 IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[NH2+]C3CCCC3)c2oc1C(F)(F)F ZINC000057312256 569430811 /nfs/dbraw/zinc/43/08/11/569430811.db2.gz MYFXXSQEXGZQMX-UHFFFAOYSA-N 0 0 433.426 5.225 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)SC1=S ZINC000002978249 569433655 /nfs/dbraw/zinc/43/36/55/569433655.db2.gz BZCHGDPSKWPOQI-PXNMLYILSA-N 0 0 442.364 5.933 50 10 IKCARN CCOc1ccc(-c2nc3cc(NCc4cc(Br)ccc4O)ccc3o2)cc1 ZINC000003013780 569435477 /nfs/dbraw/zinc/43/54/77/569435477.db2.gz NJVNHWWHMYQINK-UHFFFAOYSA-N 0 0 439.309 5.974 50 10 IKCARN Cc1cc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003288433 569444183 /nfs/dbraw/zinc/44/41/83/569444183.db2.gz JIIOXPRRPHJZOR-AWEZNQCLSA-N 0 0 448.853 5.172 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003292150 569444509 /nfs/dbraw/zinc/44/45/09/569444509.db2.gz SUMGIICCGVPBOQ-UHFFFAOYSA-N 0 0 433.838 5.389 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003306192 569445259 /nfs/dbraw/zinc/44/52/59/569445259.db2.gz JJVLKRPEIMSSOT-HNNXBMFYSA-N 0 0 435.923 6.712 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3cccnc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000058138808 569448457 /nfs/dbraw/zinc/44/84/57/569448457.db2.gz FKXBSPNSQDPGIL-FYYLOGMGSA-N 0 0 436.353 5.335 50 10 IKCARN COc1ccc(CC(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)cc1 ZINC000003398980 569449563 /nfs/dbraw/zinc/44/95/63/569449563.db2.gz DEWDAGAMUTTZOR-UHFFFAOYSA-N 0 0 431.561 5.716 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(Cl)cc1 ZINC000003504326 569452897 /nfs/dbraw/zinc/45/28/97/569452897.db2.gz HOSDWFCDUGYHDM-GFCCVEGCSA-N 0 0 442.894 5.258 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccccc3C)ccc21 ZINC000003585484 569454426 /nfs/dbraw/zinc/45/44/26/569454426.db2.gz FSPLYOOQVOOPIW-UHFFFAOYSA-N 0 0 425.642 5.393 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3c(C)cccc3C)ccc21 ZINC000003585081 569454444 /nfs/dbraw/zinc/45/44/44/569454444.db2.gz GWKJBAVDTKOROJ-UHFFFAOYSA-N 0 0 439.669 5.702 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@@H](C)CC)ccc21 ZINC000003585555 569454447 /nfs/dbraw/zinc/45/44/47/569454447.db2.gz ASNRABQEALCUEC-QFIPXVFZSA-N 0 0 437.697 6.854 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)[C@@H](C)CC)ccc21 ZINC000003585132 569454470 /nfs/dbraw/zinc/45/44/70/569454470.db2.gz OGTPWWBCPVBIDZ-IBGZPJMESA-N 0 0 425.642 5.855 50 10 IKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000003764349 569456372 /nfs/dbraw/zinc/45/63/72/569456372.db2.gz FHUYXAYDYWPBAS-PDGQHHTCSA-N 0 0 444.002 6.798 50 10 IKCARN CCCCC1(C)OC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O1 ZINC000004082520 569458700 /nfs/dbraw/zinc/45/87/00/569458700.db2.gz LGRCXRCBPRSABA-UHFFFAOYSA-N 0 0 437.923 5.733 50 10 IKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000008440470 569464366 /nfs/dbraw/zinc/46/43/66/569464366.db2.gz JHPAKZNDQKBEHC-DEDYPNTBSA-N 0 0 434.337 5.938 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=N)S1 ZINC000008492165 569466645 /nfs/dbraw/zinc/46/66/45/569466645.db2.gz PETJIQBFAWFNIP-RNJGGXIZSA-N 0 0 440.528 5.448 50 10 IKCARN CC(=O)N(c1nc(CSc2ncc(-c3ccccc3)n2C)cs1)c1cccc(C)c1 ZINC000008719157 569471401 /nfs/dbraw/zinc/47/14/01/569471401.db2.gz HFBAPEIHHSLZDE-UHFFFAOYSA-N 0 0 434.590 5.829 50 10 IKCARN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)=C1C(=O)OC ZINC000008722025 569471769 /nfs/dbraw/zinc/47/17/69/569471769.db2.gz WSRSVJQILNDGQB-WJDWOHSUSA-N 0 0 432.303 5.269 50 10 IKCARN CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008734931 569472569 /nfs/dbraw/zinc/47/25/69/569472569.db2.gz XBGPSIQAWCQIJE-VWLOTQADSA-N 0 0 436.515 5.251 50 10 IKCARN Oc1c(Br)cc(Br)cc1CNc1ccc(C(F)(F)F)cc1 ZINC000008782245 569475807 /nfs/dbraw/zinc/47/58/07/569475807.db2.gz BQQIBIWTTKVWTF-UHFFFAOYSA-N 0 0 425.042 5.548 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccncc1)CCCC2 ZINC000008814311 569476706 /nfs/dbraw/zinc/47/67/06/569476706.db2.gz UDJUUOKVVUQORR-UHFFFAOYSA-N 0 0 427.957 5.548 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)C(=CNc2cc(C(F)(F)F)ccc2Cl)SC1=S ZINC000008836372 569478046 /nfs/dbraw/zinc/47/80/46/569478046.db2.gz FWLGQXSWIBRJBJ-OKHBPPCESA-N 0 0 442.915 6.234 50 10 IKCARN Cc1cccc(-n2nnc3c2cc(Nc2ccccc2)c2c3C(=O)c3ccccc3C2=O)c1 ZINC000008836487 569478098 /nfs/dbraw/zinc/47/80/98/569478098.db2.gz ADTOVCGDVZNVCZ-UHFFFAOYSA-N 0 0 430.467 5.248 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1Cl ZINC000008843397 569478500 /nfs/dbraw/zinc/47/85/00/569478500.db2.gz FNZUHVBEFQPPDV-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)cc1 ZINC000008843378 569478504 /nfs/dbraw/zinc/47/85/04/569478504.db2.gz MNNLPLACZAUDMG-UHFFFAOYSA-N 0 0 435.351 5.890 50 10 IKCARN Cc1ccc(-n2nnc3c2cc(NC2CCCCC2)c2c3C(=O)c3ccccc3C2=O)cc1 ZINC000008856492 569479761 /nfs/dbraw/zinc/47/97/61/569479761.db2.gz MKRXSAAQSPGSCJ-UHFFFAOYSA-N 0 0 436.515 5.249 50 10 IKCARN CCCCCOC(=O)c1c2cc(-c3ccncc3)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000008860161 569479836 /nfs/dbraw/zinc/47/98/36/569479836.db2.gz SFUPNGQYBJJPHU-UHFFFAOYSA-N 0 0 438.483 5.124 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c1 ZINC000008872116 569480857 /nfs/dbraw/zinc/48/08/57/569480857.db2.gz QGVFVZRSWVNPQA-ODLFYWEKSA-N 0 0 446.380 6.968 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000008872595 569480955 /nfs/dbraw/zinc/48/09/55/569480955.db2.gz QCAPKOZUNIGPPX-UCQKPKSFSA-N 0 0 444.531 5.177 50 10 IKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000008872616 569481000 /nfs/dbraw/zinc/48/10/00/569481000.db2.gz LFEXRGIQCHTETF-RGEXLXHISA-N 0 0 430.342 5.012 50 10 IKCARN Cc1cc(CN(C2CCCCC2)S(=O)(=O)c2cccc(F)c2)c(C)n1-c1ccccc1 ZINC000008912214 569484980 /nfs/dbraw/zinc/48/49/80/569484980.db2.gz SZRWLSRVYUZIAJ-UHFFFAOYSA-N 0 0 440.584 5.757 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000008914925 569485536 /nfs/dbraw/zinc/48/55/36/569485536.db2.gz ROYAWXPOURYKLU-AWEZNQCLSA-N 0 0 447.453 5.425 50 10 IKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000008919857 569486484 /nfs/dbraw/zinc/48/64/84/569486484.db2.gz DNRNWSQLRCAIST-WLRWDXFRSA-N 0 0 434.989 6.086 50 10 IKCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000008951600 569489961 /nfs/dbraw/zinc/48/99/61/569489961.db2.gz LEGUTFWTYAUISL-GXDHUFHOSA-N 0 0 441.361 5.207 50 10 IKCARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000008952096 569489981 /nfs/dbraw/zinc/48/99/81/569489981.db2.gz NMYQXGXPQPSFCS-OVCLIPMQSA-N 0 0 426.346 5.070 50 10 IKCARN CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009009931 569496447 /nfs/dbraw/zinc/49/64/47/569496447.db2.gz HXHIWHPHFWOLRQ-ZNZIZOMTSA-N 0 0 433.507 5.017 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccccc1 ZINC000009038877 569497370 /nfs/dbraw/zinc/49/73/70/569497370.db2.gz CGGUKKXDATYIPW-HZHRSRAPSA-N 0 0 447.581 5.676 50 10 IKCARN Cc1ccc(-n2nnc3c2cc(Nc2ccccc2)c2c3C(=O)c3ccccc3C2=O)cc1 ZINC000009046441 569498342 /nfs/dbraw/zinc/49/83/42/569498342.db2.gz HUPYLIWFOFXAEC-UHFFFAOYSA-N 0 0 430.467 5.248 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009076606 569500337 /nfs/dbraw/zinc/50/03/37/569500337.db2.gz DDCRWQPCZQRMBM-RNHFSVANSA-N 0 0 443.474 5.658 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)C1 ZINC000245257676 569501626 /nfs/dbraw/zinc/50/16/26/569501626.db2.gz CHWPIYMLBVFBHN-YPCDYVTLSA-N 0 0 426.604 6.578 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccsc2)c1 ZINC000245296611 569502445 /nfs/dbraw/zinc/50/24/45/569502445.db2.gz MLMLIWQQSBSMMR-NQIIRXRSSA-N 0 0 441.350 5.767 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C2=N)S1 ZINC000009113630 569502588 /nfs/dbraw/zinc/50/25/88/569502588.db2.gz AGTLDXHXAXIYTQ-LECIVKJOSA-N 0 0 447.951 5.372 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H]3CCCC[C@H]3C)ccc21 ZINC000245343723 569504519 /nfs/dbraw/zinc/50/45/19/569504519.db2.gz XUQYRCQIOOOVTD-GJZUVCINSA-N 0 0 449.708 6.935 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=N)S1 ZINC000009158803 569508516 /nfs/dbraw/zinc/50/85/16/569508516.db2.gz XLTJRSAMLCEVNM-ONWPUYBOSA-N 0 0 433.581 5.466 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000009158723 569508539 /nfs/dbraw/zinc/50/85/39/569508539.db2.gz PLXBEHOHXDUDBO-DXIKEOKKSA-N 0 0 425.945 5.085 50 10 IKCARN CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=N)S1 ZINC000009161384 569508756 /nfs/dbraw/zinc/50/87/56/569508756.db2.gz TVFSZESFEIICSZ-ODXNEQJUSA-N 0 0 437.594 5.157 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000009193107 569510837 /nfs/dbraw/zinc/51/08/37/569510837.db2.gz VSUKTWRURZHIHM-DMNVVODESA-N 0 0 437.544 5.433 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000009193195 569510843 /nfs/dbraw/zinc/51/08/43/569510843.db2.gz HIMMNIZYYSFZNM-CXJFQJJYSA-N 0 0 441.560 5.667 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C2=N)S1 ZINC000009193245 569510902 /nfs/dbraw/zinc/51/09/02/569510902.db2.gz MEDBJRMPZRTLEF-NLEVOZIKSA-N 0 0 433.581 5.466 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C(C)C)o2)c(C)n1-c1ccc(Br)cc1 ZINC000009221354 569512608 /nfs/dbraw/zinc/51/26/08/569512608.db2.gz UUOJZDWSSBJYFP-UHFFFAOYSA-N 0 0 434.359 5.338 50 10 IKCARN COc1cc(OC)c(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000009228705 569513564 /nfs/dbraw/zinc/51/35/64/569513564.db2.gz ZJVIAGRDGGIFPI-UHFFFAOYSA-N 0 0 431.895 5.226 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228597 569513595 /nfs/dbraw/zinc/51/35/95/569513595.db2.gz UOWWBDBRGDZHJW-UHFFFAOYSA-N 0 0 432.749 5.832 50 10 IKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(Br)cc3)c2C)cc1 ZINC000009228653 569513618 /nfs/dbraw/zinc/51/36/18/569513618.db2.gz APFUBCGSEGKZCQ-UHFFFAOYSA-N 0 0 428.330 5.187 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccc(C)cc1 ZINC000009228553 569513626 /nfs/dbraw/zinc/51/36/26/569513626.db2.gz TXCKMKGAEKQQSK-UHFFFAOYSA-N 0 0 430.321 5.626 50 10 IKCARN COc1cc(OC)c(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1Cl ZINC000009228877 569513641 /nfs/dbraw/zinc/51/36/41/569513641.db2.gz SVJRFKLHRIXEIC-UHFFFAOYSA-N 0 0 443.931 5.095 50 10 IKCARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC000009229142 569513690 /nfs/dbraw/zinc/51/36/90/569513690.db2.gz CMZPMAZOVAHNIS-UHFFFAOYSA-N 0 0 445.994 5.956 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1Cl ZINC000009232250 569513715 /nfs/dbraw/zinc/51/37/15/569513715.db2.gz NPHMHDYEUWGZJS-GIDUJCDVSA-N 0 0 430.765 6.061 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000009232956 569513781 /nfs/dbraw/zinc/51/37/81/569513781.db2.gz UYOIJVWWRDXGDK-RDJYZGLESA-N 0 0 439.544 5.070 50 10 IKCARN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000009232995 569513836 /nfs/dbraw/zinc/51/38/36/569513836.db2.gz VEUDRUFNWDVVOT-RIYZIHGNSA-N 0 0 428.735 5.647 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000009244414 569515039 /nfs/dbraw/zinc/51/50/39/569515039.db2.gz WFUXGJHTPIFVAO-UHFFFAOYSA-N 0 0 446.938 5.602 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C2=N)S1 ZINC000009281739 569518595 /nfs/dbraw/zinc/51/85/95/569518595.db2.gz CTMOWMGLAVFBDG-DHPBROCDSA-N 0 0 447.608 5.856 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C2=N)S1 ZINC000009282690 569518710 /nfs/dbraw/zinc/51/87/10/569518710.db2.gz XPLBCQXZVHGDCB-HTEOLXNASA-N 0 0 433.581 5.637 50 10 IKCARN CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CCCCC2)cc1 ZINC000009288916 569519477 /nfs/dbraw/zinc/51/94/77/569519477.db2.gz LVXCQAZKAGHJIK-UHFFFAOYSA-N 0 0 432.572 5.019 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000009291501 569519850 /nfs/dbraw/zinc/51/98/50/569519850.db2.gz SEPXBSOCALWPHZ-YUVHXDDYSA-N 0 0 439.972 5.331 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000009291938 569519971 /nfs/dbraw/zinc/51/99/71/569519971.db2.gz FWTURAIMIGOBCV-MLDLNWIHSA-N 0 0 440.956 5.964 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1C ZINC000009293243 569520196 /nfs/dbraw/zinc/52/01/96/569520196.db2.gz MXVSINQESPHTPC-BNHNGMILSA-N 0 0 439.972 5.331 50 10 IKCARN Cc1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000009296525 569520440 /nfs/dbraw/zinc/52/04/40/569520440.db2.gz WZJBKGXYDKGTQN-UDWIEESQSA-N 0 0 436.514 5.565 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000009299724 569520589 /nfs/dbraw/zinc/52/05/89/569520589.db2.gz ZACXOKFZJKJYBI-XKVLWOBQSA-N 0 0 432.892 5.267 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=N)S1 ZINC000009309810 569521671 /nfs/dbraw/zinc/52/16/71/569521671.db2.gz LBKHMUGTHFRQMF-LANNQIRMSA-N 0 0 446.363 5.430 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=N)S1 ZINC000009310053 569521741 /nfs/dbraw/zinc/52/17/41/569521741.db2.gz HOJCJOBOSVMXBO-XYSCVJGBSA-N 0 0 438.940 5.338 50 10 IKCARN CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)ccc21 ZINC000009310409 569521775 /nfs/dbraw/zinc/52/17/75/569521775.db2.gz GBWMKPYRVMURRT-HZHRSRAPSA-N 0 0 444.581 6.229 50 10 IKCARN COCCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000009327342 569522706 /nfs/dbraw/zinc/52/27/06/569522706.db2.gz XWFNSAWEHPPCQC-MHWRWJLKSA-N 0 0 428.362 5.491 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(C(C)C)o2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000009336994 569523496 /nfs/dbraw/zinc/52/34/96/569523496.db2.gz JNJKBRQNSYVQQG-CQSZACIVSA-N 0 0 435.496 5.565 50 10 IKCARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009404940 569529776 /nfs/dbraw/zinc/52/97/76/569529776.db2.gz KREUQFUDMSHKKD-DEOSSOPVSA-N 0 0 430.577 5.309 50 10 IKCARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406131 569529975 /nfs/dbraw/zinc/52/99/75/569529975.db2.gz KAAYYKDBLNMFRH-QHCPKHFHSA-N 0 0 448.610 6.774 50 10 IKCARN C[C@@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1)c1ccccc1 ZINC000009406194 569530001 /nfs/dbraw/zinc/53/00/01/569530001.db2.gz JNBNWPQLVXZQMF-PKTZIBPZSA-N 0 0 448.610 6.803 50 10 IKCARN C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000009406197 569530005 /nfs/dbraw/zinc/53/00/05/569530005.db2.gz DEDVEGJKSHATMP-QFIPXVFZSA-N 0 0 438.615 6.889 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccn3Cc3cccc4ccccc43)C2=N)S1 ZINC000009434782 569534776 /nfs/dbraw/zinc/53/47/76/569534776.db2.gz ZVXQMWDCAOYLRZ-VHDUERLVSA-N 0 0 441.560 5.499 50 10 IKCARN CC(C)(C)c1ccc(Oc2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000009514271 569543238 /nfs/dbraw/zinc/54/32/38/569543238.db2.gz CQFPITWBXWBOFD-UHFFFAOYSA-N 0 0 448.316 6.892 50 10 IKCARN CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCc3ccccc32)cc1 ZINC000009526959 569544538 /nfs/dbraw/zinc/54/45/38/569544538.db2.gz OFBHWGVCNPIVNA-QHCPKHFHSA-N 0 0 437.946 5.079 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000009541616 569545884 /nfs/dbraw/zinc/54/58/84/569545884.db2.gz YJQWNAWIZLAILH-UPVQGACJSA-N 0 0 435.365 5.940 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000009541623 569545935 /nfs/dbraw/zinc/54/59/35/569545935.db2.gz YJQWNAWIZLAILH-VWNXMTODSA-N 0 0 435.365 5.940 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=N)S1 ZINC000009553888 569546737 /nfs/dbraw/zinc/54/67/37/569546737.db2.gz NRCBZMWJUMFBSC-VYIPLNHISA-N 0 0 445.523 5.248 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 ZINC000009597234 569550853 /nfs/dbraw/zinc/55/08/53/569550853.db2.gz ZJCDYTJRXLMTPK-SIKLNZKXSA-N 0 0 436.309 5.100 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 ZINC000009597235 569550859 /nfs/dbraw/zinc/55/08/59/569550859.db2.gz ZJCDYTJRXLMTPK-DENIHFKCSA-N 0 0 436.309 5.100 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009762962 569566519 /nfs/dbraw/zinc/56/65/19/569566519.db2.gz DPZQHMQXEDUVNK-WQRHYEAKSA-N 0 0 449.450 6.510 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000009763497 569566623 /nfs/dbraw/zinc/56/66/23/569566623.db2.gz UJBJTLCKAAEMCS-AVYPCKFXSA-N 0 0 434.761 6.255 50 10 IKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@H]21 ZINC000009763816 569566730 /nfs/dbraw/zinc/56/67/30/569566730.db2.gz VRXRAZSWEMXZGP-QYWGDWMGSA-N 0 0 428.326 5.379 50 10 IKCARN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000009763825 569566743 /nfs/dbraw/zinc/56/67/43/569566743.db2.gz NUDPKGCOKVZIDG-LXIYXOSZSA-N 0 0 431.286 5.201 50 10 IKCARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000009805182 569568650 /nfs/dbraw/zinc/56/86/50/569568650.db2.gz KNZZMGPKEJZTCU-UNVFRBQDSA-N 0 0 448.563 6.070 50 10 IKCARN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000009804741 569568728 /nfs/dbraw/zinc/56/87/28/569568728.db2.gz YVIFCSCQCFPNQE-QHWMMSMNSA-N 0 0 444.600 6.239 50 10 IKCARN COc1cccc(OCCOc2ccc(C)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 ZINC000009849645 569571286 /nfs/dbraw/zinc/57/12/86/569571286.db2.gz YTKCIIYBYJVXTG-KOEQRZSOSA-N 0 0 442.515 5.268 50 10 IKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1Br ZINC000009934640 569573768 /nfs/dbraw/zinc/57/37/68/569573768.db2.gz PPBAOGAVTSUPMQ-AQTBWJFISA-N 0 0 448.316 5.635 50 10 IKCARN O=c1cc(CSc2ncnc3scc(-c4ccccc4)c32)c2cc(O)c(O)cc2o1 ZINC000009982988 569576556 /nfs/dbraw/zinc/57/65/56/569576556.db2.gz BBMJTRGBWZGLAO-UHFFFAOYSA-N 0 0 434.498 5.168 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1cccc(F)c1 ZINC000000628449 193862260 /nfs/dbraw/zinc/86/22/60/193862260.db2.gz XKLQQJGURFBEJU-UHFFFAOYSA-N 0 0 436.537 5.466 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3)c2)SC1=S ZINC000009849431 193906936 /nfs/dbraw/zinc/90/69/36/193906936.db2.gz NWRNMCHBCVQUGS-QNGOZBTKSA-N 0 0 447.537 5.320 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c(C)c1 ZINC000009849596 193907094 /nfs/dbraw/zinc/90/70/94/193907094.db2.gz UZYQCVGGJOZPKF-NDENLUEZSA-N 0 0 425.962 6.623 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053362996 193926956 /nfs/dbraw/zinc/92/69/56/193926956.db2.gz LHKFLWITZTXWMU-UNMCSNQZSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364163 193927925 /nfs/dbraw/zinc/92/79/25/193927925.db2.gz WDFGHHHKGNIZRS-BVAGGSTKSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364001 193928072 /nfs/dbraw/zinc/92/80/72/193928072.db2.gz 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C[C@@H]1CN(c2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C[C@@H](C)O1 ZINC000002228382 132249428 /nfs/dbraw/zinc/24/94/28/132249428.db2.gz KRQSVIUCVJBJCB-HZPDHXFCSA-N 0 0 425.488 5.396 50 10 IKCARN CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 ZINC000002313578 132251849 /nfs/dbraw/zinc/25/18/49/132251849.db2.gz MMQZAGQSVTZXDD-RCCKNPSSSA-N 0 0 440.012 5.430 50 10 IKCARN O=C1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457250 132254533 /nfs/dbraw/zinc/25/45/33/132254533.db2.gz GBLHNIFBZGJIBG-UHFFFAOYSA-N 0 0 427.435 5.091 50 10 IKCARN O=C1C(=Cc2ccsc2)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002532801 132254868 /nfs/dbraw/zinc/25/48/68/132254868.db2.gz ROSLQBZKBAMLPO-UHFFFAOYSA-N 0 0 443.311 5.638 50 10 IKCARN CSc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000002532805 132255100 /nfs/dbraw/zinc/25/51/00/132255100.db2.gz WLNCPOKREPTGMH-UHFFFAOYSA-N 0 0 442.540 5.609 50 10 IKCARN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000002991994 132260252 /nfs/dbraw/zinc/26/02/52/132260252.db2.gz CLDABAKPKPXCRA-KGENOOAVSA-N 0 0 437.521 5.130 50 10 IKCARN CCN1CCCc2cc(CN(C(=S)Nc3cc(F)cc(F)c3)C3CCCC3)ccc21 ZINC000003586052 132266390 /nfs/dbraw/zinc/26/63/90/132266390.db2.gz VNMBLJYRJPOVPI-UHFFFAOYSA-N 0 0 429.580 5.879 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000006089561 132275946 /nfs/dbraw/zinc/27/59/46/132275946.db2.gz FDLIDSSHLDAKTN-NEMUNFNQSA-N 0 0 431.963 6.411 50 10 IKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)S3)CC2)cc1 ZINC000006154196 132276334 /nfs/dbraw/zinc/27/63/34/132276334.db2.gz GTOJDRPGXUKMFR-HAVVHWLPSA-N 0 0 429.545 5.048 50 10 IKCARN CC1CCN(c2cc(N3C[C@@H](C)C[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006738003 132278443 /nfs/dbraw/zinc/27/84/43/132278443.db2.gz XMLHCBHUMNHKLO-ROUUACIJSA-N 0 0 429.564 5.758 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000008425519 132281644 /nfs/dbraw/zinc/28/16/44/132281644.db2.gz XMOGORDPIWNJPL-KRKXHZOKSA-N 0 0 446.388 6.546 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000008425962 132281672 /nfs/dbraw/zinc/28/16/72/132281672.db2.gz FDLIDSSHLDAKTN-AIQNWGLSSA-N 0 0 431.963 6.411 50 10 IKCARN O=[N+]([O-])c1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000009009403 132300413 /nfs/dbraw/zinc/30/04/13/132300413.db2.gz UJZTVMYYTRHVOU-UHFFFAOYSA-N 0 0 427.913 5.006 50 10 IKCARN Cc1cc(C)c(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1 ZINC000009612335 132323548 /nfs/dbraw/zinc/32/35/48/132323548.db2.gz QQQNGXVCOBRJOZ-UHFFFAOYSA-N 0 0 437.543 6.698 50 10 IKCARN C[C@@H]1C[C@H](C)CN(c2cc(NCc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641911 132324519 /nfs/dbraw/zinc/32/45/19/132324519.db2.gz WMCZDYANYURHCT-HDICACEKSA-N 0 0 437.543 6.134 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009847309 132330018 /nfs/dbraw/zinc/33/00/18/132330018.db2.gz YJHMHAFCWFFRGY-UHFFFAOYSA-N 0 0 433.577 5.263 50 10 IKCARN Cc1cccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000013800001 132354552 /nfs/dbraw/zinc/35/45/52/132354552.db2.gz VUXYITIJBMWLIU-CALCHBBNSA-N 0 0 439.515 5.705 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=N)S1 ZINC000012382182 519631795 /nfs/dbraw/zinc/63/17/95/519631795.db2.gz YWTANFZAFLGUDP-JLFKZYKSSA-N 0 0 436.512 5.070 50 10 IKCARN CC(=O)Nc1ccc(-n2c(C)cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2C)cc1 ZINC000012550220 519708833 /nfs/dbraw/zinc/70/88/33/519708833.db2.gz CMNKZKAVUPPYLD-UHFFFAOYSA-N 0 0 446.554 6.777 50 10 IKCARN CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000012561386 519718987 /nfs/dbraw/zinc/71/89/87/519718987.db2.gz NYFJDBJOFOZYCF-WOJGMQOQSA-N 0 0 425.604 5.458 50 10 IKCARN CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000012380004 519759293 /nfs/dbraw/zinc/75/92/93/519759293.db2.gz SZTXVDPMMIVKNV-RQTOMXEWSA-N 0 0 443.930 6.323 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000020731267 519854693 /nfs/dbraw/zinc/85/46/93/519854693.db2.gz NAPNZTLRZRUBMT-BKMJKUGQSA-N 0 0 449.708 6.935 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=N)S1 ZINC000041082862 519917456 /nfs/dbraw/zinc/91/74/56/519917456.db2.gz LVGPKFDPCNFIQB-HRXHUYTNSA-N 0 0 433.581 5.520 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C2=N)S1 ZINC000041082857 519917503 /nfs/dbraw/zinc/91/75/03/519917503.db2.gz DSTOYSAECKEIQN-OQYABBNDSA-N 0 0 449.580 5.221 50 10 IKCARN CCCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016750546 520177218 /nfs/dbraw/zinc/17/72/18/520177218.db2.gz YOOKUECUNTZICO-ZROIWOOFSA-N 0 0 444.803 6.240 50 10 IKCARN CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000012561390 520555912 /nfs/dbraw/zinc/55/59/12/520555912.db2.gz NFEAFCYWYJNCKD-RCCKNPSSSA-N 0 0 433.602 5.849 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000016677206 520626840 /nfs/dbraw/zinc/62/68/40/520626840.db2.gz SGPMKNKJBYIGQQ-XDHOZWIPSA-N 0 0 433.982 5.539 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000033650909 520880709 /nfs/dbraw/zinc/88/07/09/520880709.db2.gz MFNBAWVRUAVIDN-NDENLUEZSA-N 0 0 445.972 5.301 50 10 IKCARN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000012412853 520889695 /nfs/dbraw/zinc/88/96/95/520889695.db2.gz BKZQXZGTUBEUEL-FOKLQQMPSA-N 0 0 437.326 6.379 50 10 IKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)Sc1ccccc1N2C ZINC000012524492 520897810 /nfs/dbraw/zinc/89/78/10/520897810.db2.gz AZXKEHCCKIWNEC-UNOMPAQXSA-N 0 0 431.948 6.379 50 10 IKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000012411772 520922387 /nfs/dbraw/zinc/92/23/87/520922387.db2.gz CDRPREWFAAIKMU-RELGLDOUSA-N 0 0 436.596 5.050 50 10 biogenic,in-vitro IKCARN CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012560569 520924284 /nfs/dbraw/zinc/92/42/84/520924284.db2.gz HYUGIVWIBGLFOW-AZGAKELHSA-N 0 0 431.967 6.429 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020763310 520932125 /nfs/dbraw/zinc/93/21/25/520932125.db2.gz HVTQCFUPOBJVPA-JYFHCDHNSA-N 0 0 434.511 5.551 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)[NH+]1CCOCC1)c([O-])c1ccccc21 ZINC000021539884 521402203 /nfs/dbraw/zinc/40/22/03/521402203.db2.gz CYCUGYXZROHKEM-XMMPIXPASA-N 0 0 445.515 5.198 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000012555251 521402405 /nfs/dbraw/zinc/40/24/05/521402405.db2.gz CNPNLCDEPHHLAW-XMMPIXPASA-N 0 0 444.531 5.747 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cc(OC)ccc3OC)N2)c1O ZINC000020764696 521416258 /nfs/dbraw/zinc/41/62/58/521416258.db2.gz MUTMHSFGWNMAMP-WNCULLNHSA-N 0 0 446.547 5.339 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020764224 521416798 /nfs/dbraw/zinc/41/67/98/521416798.db2.gz OMDRHPPHVOSNLK-URXFXBBRSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020764228 521424188 /nfs/dbraw/zinc/42/41/88/521424188.db2.gz OMDRHPPHVOSNLK-QPPBQGQZSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763722 521424592 /nfs/dbraw/zinc/42/45/92/521424592.db2.gz ZBJSDUUUERLDGD-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000020764200 521424688 /nfs/dbraw/zinc/42/46/88/521424688.db2.gz VKGASSBBCQJPBJ-BWKNWUBXSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763374 521425489 /nfs/dbraw/zinc/42/54/89/521425489.db2.gz MZSYUFPIUPHDCJ-BVAGGSTKSA-N 0 0 434.967 6.229 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239309230 521450273 /nfs/dbraw/zinc/45/02/73/521450273.db2.gz HIMBFNXQVZJWIJ-PDLBJYQGSA-N 0 0 442.515 5.666 50 10 IKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000022309694 521459397 /nfs/dbraw/zinc/45/93/97/521459397.db2.gz LPNWOXCFSBZCGZ-STZFKDTASA-N 0 0 449.553 5.838 50 10 IKCARN CCN1C(=O)/C(=C/C=C2N(CC)c3cc(Cl)c(Cl)cc3N2CC)SC1=S ZINC000022358482 521509853 /nfs/dbraw/zinc/50/98/53/521509853.db2.gz YFSIPFPKIIRNPD-CHHVJCJISA-N 0 0 428.410 5.265 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3cccc4cccnc43)c2)SC1=S ZINC000020608723 521514261 /nfs/dbraw/zinc/51/42/61/521514261.db2.gz YSOUEAMGLQEEEJ-DEDYPNTBSA-N 0 0 436.558 5.044 50 10 IKCARN CCN1C(=O)/C(=C\C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000017282250 521514827 /nfs/dbraw/zinc/51/48/27/521514827.db2.gz ONZWGFGYRTWEHO-NNFYUIBOSA-N 0 0 434.630 6.119 50 10 IKCARN CCCN(CCC)C(=O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000023334848 521634469 /nfs/dbraw/zinc/63/44/69/521634469.db2.gz BRHVICXCPLQURN-UHFFFAOYSA-N 0 0 438.999 6.388 50 10 IKCARN CCN1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000020489507 521670478 /nfs/dbraw/zinc/67/04/78/521670478.db2.gz QIYYKPKPMIWMHH-UHFFFAOYSA-N 0 0 427.592 5.191 50 10 IKCARN CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000012629629 521852924 /nfs/dbraw/zinc/85/29/24/521852924.db2.gz CPZALUKFJMLWIN-MOSHPQCFSA-N 0 0 436.514 5.823 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCc1ccccc1 ZINC000008431895 521946329 /nfs/dbraw/zinc/94/63/29/521946329.db2.gz URSULVRTIFPRRB-XSFVSMFZSA-N 0 0 432.907 5.734 50 10 IKCARN COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1F ZINC000012419575 521949342 /nfs/dbraw/zinc/94/93/42/521949342.db2.gz MKGLYHUMLCSRML-UNOMPAQXSA-N 0 0 436.866 6.048 50 10 IKCARN CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021891849 522253114 /nfs/dbraw/zinc/25/31/14/522253114.db2.gz YSKUBJSHADKPJG-SANMLTNESA-N 0 0 440.522 5.820 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000033332403 522866011 /nfs/dbraw/zinc/86/60/11/522866011.db2.gz UTOGTYXOAIPUSN-JJIBRWJFSA-N 0 0 439.511 5.138 50 10 IKCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000000681180 522868703 /nfs/dbraw/zinc/86/87/03/522868703.db2.gz JIXQEESVSHUPHY-JLPGSUDCSA-N 0 0 426.516 5.280 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000012628137 522929461 /nfs/dbraw/zinc/92/94/61/522929461.db2.gz HDILAOFDMAEPHF-SXGZJXTBSA-N 0 0 445.313 5.509 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)c2C)cc1 ZINC000022008498 523315245 /nfs/dbraw/zinc/31/52/45/523315245.db2.gz DUHHJAIILLQKCL-HSZRJFAPSA-N 0 0 448.954 5.009 50 10 IKCARN CN(Cc1ccccc1)C(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902465 523337513 /nfs/dbraw/zinc/33/75/13/523337513.db2.gz VICOOVLRTGWYBZ-UHFFFAOYSA-N 0 0 434.583 6.685 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000033441435 523651352 /nfs/dbraw/zinc/65/13/52/523651352.db2.gz ZZBXAOINMQRBOE-QNGOZBTKSA-N 0 0 436.989 6.514 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000033436718 523651958 /nfs/dbraw/zinc/65/19/58/523651958.db2.gz LCQHWGGRGPRITR-QNGOZBTKSA-N 0 0 447.541 5.769 50 10 IKCARN CN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S ZINC000015857110 523675518 /nfs/dbraw/zinc/67/55/18/523675518.db2.gz WQYFDJGKNVTQBF-LTGZKZEYSA-N 0 0 441.618 5.663 50 10 IKCARN COc1ccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000020755881 523724419 /nfs/dbraw/zinc/72/44/19/523724419.db2.gz BONUUJAVGIBKMT-QFIPXVFZSA-N 0 0 448.906 5.130 50 10 biogenic IKCARN COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765235 523880599 /nfs/dbraw/zinc/88/05/99/523880599.db2.gz NKROSSWXTGVBLW-NFBKMPQASA-N 0 0 445.321 6.069 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763076 523881036 /nfs/dbraw/zinc/88/10/36/523881036.db2.gz HUTPKVVZGOFERR-GGAORHGYSA-N 0 0 427.331 5.930 50 10 IKCARN COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765239 523881494 /nfs/dbraw/zinc/88/14/94/523881494.db2.gz NKROSSWXTGVBLW-OFNKIYASSA-N 0 0 445.321 6.069 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763081 523881542 /nfs/dbraw/zinc/88/15/42/523881542.db2.gz HUTPKVVZGOFERR-JTHBVZDNSA-N 0 0 427.331 5.930 50 10 IKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 ZINC000009311231 524120065 /nfs/dbraw/zinc/12/00/65/524120065.db2.gz XAJIJZUCXKDVLM-RCCKNPSSSA-N 0 0 430.345 6.537 50 10 IKCARN Cc1cc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c(C)n1-c1ccccc1 ZINC000012638755 524195997 /nfs/dbraw/zinc/19/59/97/524195997.db2.gz OYGAHIXUAFOJCB-MUUNZHRXSA-N 0 0 448.522 6.356 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2[nH]c(CSc3ccccc3)cc(=O)n2n1 ZINC000012338646 524220313 /nfs/dbraw/zinc/22/03/13/524220313.db2.gz OHPYDRZADZSUJC-UHFFFAOYSA-N 0 0 432.574 5.863 50 10 IKCARN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000033305219 524223228 /nfs/dbraw/zinc/22/32/28/524223228.db2.gz RIUPMPJXGZZCCT-WOJGMQOQSA-N 0 0 448.491 5.921 50 10 IKCARN Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000033347724 524231262 /nfs/dbraw/zinc/23/12/62/524231262.db2.gz QVZUYMOBIOCTMC-STZFKDTASA-N 0 0 435.296 5.731 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020762948 524235533 /nfs/dbraw/zinc/23/55/33/524235533.db2.gz IQSSOLMBPHDADS-GMAHTHKFSA-N 0 0 439.328 5.825 50 10 IKCARN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000015010729 524444309 /nfs/dbraw/zinc/44/43/09/524444309.db2.gz DTSZECIZWBNJMO-ULJHMMPZSA-N 0 0 445.609 6.018 50 10 IKCARN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000016192729 524630354 /nfs/dbraw/zinc/63/03/54/524630354.db2.gz BYKATEHCEXBURN-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN Cc1cc(CN(C(=O)Nc2ccccc2)C2CCCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000020579195 524645330 /nfs/dbraw/zinc/64/53/30/524645330.db2.gz RMRZGOZSVHWDHG-UHFFFAOYSA-N 0 0 435.999 7.114 50 10 IKCARN COc1ccc(OC)c(-c2cc3c(n2-c2ccc(C(=O)NC(C)C)cc2)CCCCC3)c1 ZINC000033114850 524792582 /nfs/dbraw/zinc/79/25/82/524792582.db2.gz KASDMDRTEBQTHL-UHFFFAOYSA-N 0 0 432.564 5.569 50 10 IKCARN Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000022229243 525211000 /nfs/dbraw/zinc/21/10/00/525211000.db2.gz PLTITCTVYVARHV-IWIPYMOSSA-N 0 0 440.593 6.404 50 10 IKCARN Cc1ccccc1N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2C)C1=O ZINC000001062619 525219875 /nfs/dbraw/zinc/21/98/75/525219875.db2.gz ZYKQSCGEAMHBDT-UHFFFAOYSA-N 0 0 435.483 5.368 50 10 IKCARN COc1ccc2c(c1)N(C)/C(=C1\SC(N(c3ccccc3)c3ccccc3)=NC1=O)S2 ZINC000012417151 525546263 /nfs/dbraw/zinc/54/62/63/525546263.db2.gz DTONPPPSSVUDOG-XTQSDGFTSA-N 0 0 445.569 5.874 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cccc2nccnc12 ZINC000012159114 525568975 /nfs/dbraw/zinc/56/89/75/525568975.db2.gz YUKCUPPAPAJJGJ-HSZRJFAPSA-N 0 0 431.536 6.021 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5cccc(C)c5)CC4)=NC3=O)o2)cc1 ZINC000012524556 525743905 /nfs/dbraw/zinc/74/39/05/525743905.db2.gz SFSSUGIQXNNHMX-ULJHMMPZSA-N 0 0 443.572 5.356 50 10 IKCARN CSc1c(C(=O)Nc2ccc(F)c(Cl)c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000012371878 525919363 /nfs/dbraw/zinc/91/93/63/525919363.db2.gz CBYAAMKCYOLUOL-UHFFFAOYSA-N 0 0 425.868 5.229 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000035105416 526087610 /nfs/dbraw/zinc/08/76/10/526087610.db2.gz PGMMIFVBHXYBIC-FZAWDKCWSA-N 0 0 445.573 5.132 50 10 IKCARN Cc1cc(C=C2SC(NC3CCCCC3)=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012531629 526094045 /nfs/dbraw/zinc/09/40/45/526094045.db2.gz WTCLZZSUVZTYJM-NDENLUEZSA-N 0 0 447.526 6.006 50 10 IKCARN COc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)c1 ZINC000012538128 526137701 /nfs/dbraw/zinc/13/77/01/526137701.db2.gz CNXZELRSKOTQKS-FYJGNVAPSA-N 0 0 434.542 5.075 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4cccnc4)C3=O)c2)cc1 ZINC000016441168 526224256 /nfs/dbraw/zinc/22/42/56/526224256.db2.gz KQWKHJGTPURSIA-MOSHPQCFSA-N 0 0 431.542 5.048 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cccc(C)c3)ccc21 ZINC000003586164 534915272 /nfs/dbraw/zinc/91/52/72/534915272.db2.gz CDGJTTKBPBUXIV-UHFFFAOYSA-N 0 0 425.642 5.393 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(Cl)c3)[C@@H](C)CC)ccc21 ZINC000003585638 534915433 /nfs/dbraw/zinc/91/54/33/534915433.db2.gz GPHKVEZXHWCNCO-IBGZPJMESA-N 0 0 444.088 6.809 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3c(C)cc(C)cc3C)ccc21 ZINC000003057230 534915445 /nfs/dbraw/zinc/91/54/45/534915445.db2.gz UCEUEQMEKPUKKM-UHFFFAOYSA-N 0 0 439.669 5.620 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cc(C)cc3C)[C@@H](C)CC)ccc21 ZINC000003585608 534915539 /nfs/dbraw/zinc/91/55/39/534915539.db2.gz ZYSKLAZNMWKOPA-QFIPXVFZSA-N 0 0 437.697 6.772 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cc(C)ccc3C)ccc21 ZINC000003057222 534916053 /nfs/dbraw/zinc/91/60/53/534916053.db2.gz WGFGWHHECZCFOH-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000012614827 526422906 /nfs/dbraw/zinc/42/29/06/526422906.db2.gz JQZSRYXHNZRKGS-UHFFFAOYSA-N 0 0 429.230 5.265 50 10 IKCARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012624830 526432324 /nfs/dbraw/zinc/43/23/24/526432324.db2.gz ZRQGMCHJCFPCCR-MUUNZHRXSA-N 0 0 446.458 5.243 50 10 IKCARN O=C(NCc1ccc(F)cc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902509 526674212 /nfs/dbraw/zinc/67/42/12/526674212.db2.gz UACNYWXHFHMCHH-UHFFFAOYSA-N 0 0 438.546 6.482 50 10 IKCARN O=C(c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)N1CCC(Cc2ccccc2)CC1 ZINC000012623908 526731202 /nfs/dbraw/zinc/73/12/02/526731202.db2.gz SQHRALMPEWJJFF-UHFFFAOYSA-N 0 0 443.930 5.210 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000018173626 526797646 /nfs/dbraw/zinc/79/76/46/526797646.db2.gz MRESIZYIMNGHKT-ZRCGQRJVSA-N 0 0 430.891 6.306 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000035058546 526941507 /nfs/dbraw/zinc/94/15/07/526941507.db2.gz KOVKBHBJGAWJFN-BKUYFWCQSA-N 0 0 437.973 6.325 50 10 IKCARN O=C1/C(=C\c2ccccc2OCCCOc2ccccc2)SC(=S)N1c1ccccc1 ZINC000015856206 526947467 /nfs/dbraw/zinc/94/74/67/526947467.db2.gz UHHNSGNHPMLBPJ-PTGBLXJZSA-N 0 0 447.581 5.940 50 10 IKCARN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1 ZINC000016157389 526962330 /nfs/dbraw/zinc/96/23/30/526962330.db2.gz MWPIHIXYMYKFQK-SNUQEOBHSA-N 0 0 442.127 6.425 50 10 IKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1 ZINC000012376029 527128799 /nfs/dbraw/zinc/12/87/99/527128799.db2.gz IJANUYSVSCFLBJ-UHFFFAOYSA-N 0 0 435.527 5.928 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000020896664 527154384 /nfs/dbraw/zinc/15/43/84/527154384.db2.gz NEGMNGZWYCIKRP-CYYJNZCTSA-N 0 0 426.432 5.781 50 10 IKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000012570417 527377734 /nfs/dbraw/zinc/37/77/34/527377734.db2.gz 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COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000000646015 555520713 /nfs/dbraw/zinc/52/07/13/555520713.db2.gz XXXQJCDQYKBNED-WQRHYEAKSA-N 0 0 444.350 5.048 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000000677160 555535410 /nfs/dbraw/zinc/53/54/10/555535410.db2.gz TWHFOXCYUSMAFM-JTDSTZFVSA-N 0 0 432.261 5.334 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000000680471 555537149 /nfs/dbraw/zinc/53/71/49/555537149.db2.gz GBBIIJPCPBJTPN-XYGWBWBKSA-N 0 0 440.543 5.275 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@@H](C)C3)c1 ZINC000000729123 555552207 /nfs/dbraw/zinc/55/22/07/555552207.db2.gz VJMYPPSMLXGSJF-CQSZACIVSA-N 0 0 442.606 5.816 50 10 IKCARN O=C(CCc1ccccc1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000801034 555559360 /nfs/dbraw/zinc/55/93/60/555559360.db2.gz MLYRZBIFYSWKHF-SANMLTNESA-N 0 0 426.472 5.292 50 10 IKCARN O=C(CCc1ccccc1)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21 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O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(F)cc1 ZINC000001159538 555660792 /nfs/dbraw/zinc/66/07/92/555660792.db2.gz VHIMQFMNNLPWQH-WQRHYEAKSA-N 0 0 426.450 5.400 50 10 IKCARN CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001180726 555671706 /nfs/dbraw/zinc/67/17/06/555671706.db2.gz VOFREFLKTWCHCS-HKWRFOASSA-N 0 0 440.590 5.014 50 10 IKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1 ZINC000001180735 555671711 /nfs/dbraw/zinc/67/17/11/555671711.db2.gz DKWYNTZCMPORAI-YBEGLDIGSA-N 0 0 437.373 5.223 50 10 IKCARN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1 ZINC000001218073 555684789 /nfs/dbraw/zinc/68/47/89/555684789.db2.gz KIQBMERGARWITO-XNTDXEJSSA-N 0 0 440.974 5.161 50 10 IKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 ZINC000001446652 555699315 /nfs/dbraw/zinc/69/93/15/555699315.db2.gz GNZLZGGQMDWHPK-FYJGNVAPSA-N 0 0 433.602 5.705 50 10 IKCARN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000001777696 555714253 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5.975 50 10 IKCARN Cc1ccc(Nc2nc3ccc(C)cc3c(-c3ccccc3)n2)c(C(=O)c2ccccc2)c1 ZINC000002063487 555732767 /nfs/dbraw/zinc/73/27/67/555732767.db2.gz LPCLMKYQAUSULU-UHFFFAOYSA-N 0 0 429.523 6.888 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccccc3NC(C)(C)C2=S)S1 ZINC000002067414 555733717 /nfs/dbraw/zinc/73/37/17/555733717.db2.gz HDJBMCKNXAQGRX-LTGZKZEYSA-N 0 0 425.600 5.951 50 10 IKCARN COc1ccc(CNc2sc3c(c2C(=O)Nc2cc(Cl)ccc2OC)CCC3)cc1 ZINC000002072950 555735083 /nfs/dbraw/zinc/73/50/83/555735083.db2.gz VJHJGTHJFJRTLV-UHFFFAOYSA-N 0 0 442.968 5.772 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCC2 ZINC000002072941 555735113 /nfs/dbraw/zinc/73/51/13/555735113.db2.gz XOWVEOWJXGICFP-UHFFFAOYSA-N 0 0 426.607 6.260 50 10 IKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002160139 555750936 /nfs/dbraw/zinc/75/09/36/555750936.db2.gz SIONVRJSCCZOAW-UHFFFAOYSA-N 0 0 446.316 5.884 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000002162000 555751109 /nfs/dbraw/zinc/75/11/09/555751109.db2.gz FQOIJUDTMMVRSC-QRVIBDJDSA-N 0 0 434.536 6.087 50 10 IKCARN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1F ZINC000002193052 555756586 /nfs/dbraw/zinc/75/65/86/555756586.db2.gz MKGLYHUMLCSRML-XDHOZWIPSA-N 0 0 436.866 6.048 50 10 IKCARN O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000002244475 555761893 /nfs/dbraw/zinc/76/18/93/555761893.db2.gz FPMGQBAGCQQQDC-VXPUYCOJSA-N 0 0 430.510 5.207 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000002366018 555772643 /nfs/dbraw/zinc/77/26/43/555772643.db2.gz KRPHUMILPARWAW-MFOYZWKCSA-N 0 0 440.373 5.807 50 10 IKCARN Cc1cc2c(n1-c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)CC(C)(C)CC2=O ZINC000002561624 555787661 /nfs/dbraw/zinc/78/76/61/555787661.db2.gz XVDPCBFOFKJYMJ-UHFFFAOYSA-N 0 0 440.465 6.212 50 10 IKCARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000002795153 555821848 /nfs/dbraw/zinc/82/18/48/555821848.db2.gz PWNYGPSSWDPXCF-UHFFFAOYSA-N 0 0 438.936 5.557 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCC1CCCCC1 ZINC000002815668 555828436 /nfs/dbraw/zinc/82/84/36/555828436.db2.gz VIPRECCOANMXQY-ZHZULCJRSA-N 0 0 442.562 6.026 50 10 IKCARN O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1Cc1ccco1 ZINC000002834937 555832322 /nfs/dbraw/zinc/83/23/22/555832322.db2.gz OOHZHPPGCGZDOC-QNGOZBTKSA-N 0 0 437.542 5.139 50 10 IKCARN Cc1cccc(COc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)c1 ZINC000002844106 555836946 /nfs/dbraw/zinc/83/69/46/555836946.db2.gz NGVLNKXIKVRMOD-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000002847778 555838010 /nfs/dbraw/zinc/83/80/10/555838010.db2.gz UAEATRHZSOKKBH-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN S=C(NNc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002862336 555845402 /nfs/dbraw/zinc/84/54/02/555845402.db2.gz KLLUZTYDJMVUAC-UHFFFAOYSA-N 0 0 447.567 6.277 50 10 IKCARN COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc32)cc1OC ZINC000002870333 555849362 /nfs/dbraw/zinc/84/93/62/555849362.db2.gz JBXAVKWEIYMUAH-HHHXNRCGSA-N 0 0 427.500 5.011 50 10 IKCARN Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 ZINC000002882447 555856245 /nfs/dbraw/zinc/85/62/45/555856245.db2.gz OMZJWLWVOMRWKW-PXLXIMEGSA-N 0 0 441.618 5.797 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000002896941 555860258 /nfs/dbraw/zinc/86/02/58/555860258.db2.gz FVJACXNWSPLCFK-XQNSMLJCSA-N 0 0 447.581 6.070 50 10 IKCARN Nc1c(Cl)cc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1Cl ZINC000002907282 555861653 /nfs/dbraw/zinc/86/16/53/555861653.db2.gz ZTWOHLNDHNIQDC-UHFFFAOYSA-N 0 0 444.916 5.990 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)c(OC)c2)SC1=S ZINC000002977232 555870064 /nfs/dbraw/zinc/87/00/64/555870064.db2.gz SUCYVYXOIIFRTE-UYRXBGFRSA-N 0 0 449.981 5.028 50 10 IKCARN CCN1C(=O)/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000002977563 555870388 /nfs/dbraw/zinc/87/03/88/555870388.db2.gz FXSJOFUVHJHZGU-NDENLUEZSA-N 0 0 426.994 5.873 50 10 IKCARN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002991882 555875171 /nfs/dbraw/zinc/87/51/71/555875171.db2.gz ZMMVJIKNSWENAB-KGENOOAVSA-N 0 0 437.973 6.325 50 10 IKCARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@]12NN=C(c1ccccc1)S2 ZINC000002997109 555876344 /nfs/dbraw/zinc/87/63/44/555876344.db2.gz NKCYQOVZEJRVCK-JOCHJYFZSA-N 0 0 440.355 5.391 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc(F)cc1 ZINC000003000368 555877550 /nfs/dbraw/zinc/87/75/50/555877550.db2.gz RANPLXMSPRYDFE-BKUYFWCQSA-N 0 0 439.508 5.950 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003002033 555877898 /nfs/dbraw/zinc/87/78/98/555877898.db2.gz QLRCJINFGPZNPZ-AUWJEWJLSA-N 0 0 445.190 6.162 50 10 IKCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003461531 555935521 /nfs/dbraw/zinc/93/55/21/555935521.db2.gz BXQTUWZBRADAGO-AUWJEWJLSA-N 0 0 445.190 6.162 50 10 IKCARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 ZINC000003672724 555945758 /nfs/dbraw/zinc/94/57/58/555945758.db2.gz XVEQCUIDZBYRBT-VWLOTQADSA-N 0 0 432.955 5.642 50 10 IKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000003878845 555950448 /nfs/dbraw/zinc/95/04/48/555950448.db2.gz DHKRXLFHKUMNOX-UHFFFAOYSA-N 0 0 449.619 5.055 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000004106902 555962901 /nfs/dbraw/zinc/96/29/01/555962901.db2.gz BVPSPISRKNHRDE-RGVLZGJSSA-N 0 0 426.900 6.128 50 10 IKCARN COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000004237721 555978409 /nfs/dbraw/zinc/97/84/09/555978409.db2.gz FXGDJUBIRYHHFQ-UHFFFAOYSA-N 0 0 438.243 6.021 50 10 IKCARN COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000006431967 556087335 /nfs/dbraw/zinc/08/73/35/556087335.db2.gz DYRXAXDGAQMJDP-QFIPXVFZSA-N 0 0 432.907 5.430 50 10 biogenic IKCARN Cc1cccc(Nc2ccc(Nc3cccc(C)c3C)c3c2C(=O)c2ccccc2C3=O)c1C ZINC000006443242 556087696 /nfs/dbraw/zinc/08/76/96/556087696.db2.gz VFICXHXHYCLJQE-UHFFFAOYSA-N 0 0 446.550 7.183 50 10 IKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000006446095 556088478 /nfs/dbraw/zinc/08/84/78/556088478.db2.gz ZQBDDHFUMYSWGB-UHFFFAOYSA-N 0 0 439.898 6.519 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1cccnc1 ZINC000006456784 556088983 /nfs/dbraw/zinc/08/89/83/556088983.db2.gz MRFFRXOIJOQUBC-NVMNQCDNSA-N 0 0 447.368 6.050 50 10 IKCARN Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 ZINC000006767775 556103663 /nfs/dbraw/zinc/10/36/63/556103663.db2.gz POFGNYWRLHJKKK-SFQUDFHCSA-N 0 0 430.620 5.293 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000002682736 556118759 /nfs/dbraw/zinc/11/87/59/556118759.db2.gz VNBOELHNVVAFRK-MOSHPQCFSA-N 0 0 441.961 6.405 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000002696929 556121488 /nfs/dbraw/zinc/12/14/88/556121488.db2.gz OELSEMJJWCBMTR-QNGOZBTKSA-N 0 0 449.601 5.549 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S ZINC000002812004 556145751 /nfs/dbraw/zinc/14/57/51/556145751.db2.gz KCNTUXAEUPNTTH-CYUIRQCWSA-N 0 0 431.966 5.559 50 10 IKCARN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)SC2=S)cc1 ZINC000002811675 556145814 /nfs/dbraw/zinc/14/58/14/556145814.db2.gz RLEGYHUADCJWRC-JCMHNJIXSA-N 0 0 445.565 5.616 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000002889017 556147500 /nfs/dbraw/zinc/14/75/00/556147500.db2.gz AQQNLFJJEHQQJG-UHFFFAOYSA-N 0 0 442.009 6.344 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)c(OC)c1 ZINC000002909632 556149797 /nfs/dbraw/zinc/14/97/97/556149797.db2.gz VVKPEYHUWVGCDN-UHFFFAOYSA-N 0 0 442.606 5.960 50 10 IKCARN O=C1/C(=C\C=C2\SCCN2CCc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000008395839 556163067 /nfs/dbraw/zinc/16/30/67/556163067.db2.gz SVZCSMQWWFAMHS-HGEIODPWSA-N 0 0 438.643 5.064 50 10 IKCARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1\SC(=S)N(C)C1=O ZINC000008397467 556164146 /nfs/dbraw/zinc/16/41/46/556164146.db2.gz ZDXRDUUIYLUIBE-KPNKYRRCSA-N 0 0 436.627 5.797 50 10 IKCARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000008426561 556168828 /nfs/dbraw/zinc/16/88/28/556168828.db2.gz CBEDKEKWWBISMC-NZQKXSOJSA-N 0 0 435.321 5.705 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl ZINC000008430282 556170291 /nfs/dbraw/zinc/17/02/91/556170291.db2.gz CSGUIFFUIUTYRG-STZFKDTASA-N 0 0 439.943 5.632 50 10 IKCARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000008430811 556170837 /nfs/dbraw/zinc/17/08/37/556170837.db2.gz XIKQCLVQTJCGMT-LBPRGKRZSA-N 0 0 440.282 5.175 50 10 IKCARN O=C(SC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccccc1Br ZINC000008435000 556173065 /nfs/dbraw/zinc/17/30/65/556173065.db2.gz KQEVYYMVPMCVIA-NTEUORMPSA-N 0 0 438.755 5.646 50 10 IKCARN CC(=O)c1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000008435057 556173116 /nfs/dbraw/zinc/17/31/16/556173116.db2.gz TWLFTCMJWXGBIV-UHFFFAOYSA-N 0 0 441.490 6.544 50 10 IKCARN O=S(=O)(Nc1cc(Sc2ccc(Cl)cc2)c(O)c2ccccc12)c1ccccc1 ZINC000008439324 556175421 /nfs/dbraw/zinc/17/54/21/556175421.db2.gz RKOKSAIBXCGBBL-UHFFFAOYSA-N 0 0 441.961 6.151 50 10 IKCARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 ZINC000008443063 556178012 /nfs/dbraw/zinc/17/80/12/556178012.db2.gz SPJLRXDYJBLIMX-UHFFFAOYSA-N 0 0 441.870 5.936 50 10 IKCARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000008443077 556178025 /nfs/dbraw/zinc/17/80/25/556178025.db2.gz KIGMHGZUFYHCRZ-UHFFFAOYSA-N 0 0 440.282 5.095 50 10 IKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008443784 556178404 /nfs/dbraw/zinc/17/84/04/556178404.db2.gz RBPQWNGXGAXVKL-MHZLTWQESA-N 0 0 449.531 5.934 50 10 IKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000008445688 556180172 /nfs/dbraw/zinc/18/01/72/556180172.db2.gz ILPKCRXMXPWIEI-VGOFMYFVSA-N 0 0 434.291 6.418 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=N)S1 ZINC000008450581 556181553 /nfs/dbraw/zinc/18/15/53/556181553.db2.gz OWWNTDIYFPMIKF-CCOMCPQUSA-N 0 0 445.523 5.104 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000008452942 556183369 /nfs/dbraw/zinc/18/33/69/556183369.db2.gz AVKJWDCYYDPXMP-QBILMKHKSA-N 0 0 430.942 5.503 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=N)S1 ZINC000008453013 556183450 /nfs/dbraw/zinc/18/34/50/556183450.db2.gz MDAZRPUJEXGDOD-WPTKKBASSA-N 0 0 438.940 5.338 50 10 IKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000008453029 556183762 /nfs/dbraw/zinc/18/37/62/556183762.db2.gz FQHYQHWJULFYEC-SKKAYCNMSA-N 0 0 448.548 5.110 50 10 IKCARN Cc1ccnc(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000008453096 556183851 /nfs/dbraw/zinc/18/38/51/556183851.db2.gz QLBQGAWRCKNQDY-OAQYLSRUSA-N 0 0 434.883 5.715 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000008453474 556184464 /nfs/dbraw/zinc/18/44/64/556184464.db2.gz FEPKCFWTAWEWHC-HRXHUYTNSA-N 0 0 427.533 5.277 50 10 IKCARN CCCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c1 ZINC000008496224 556186636 /nfs/dbraw/zinc/18/66/36/556186636.db2.gz RBGOLSCNOGALAQ-QJOMJCCJSA-N 0 0 428.488 5.710 50 10 IKCARN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000008616819 556192932 /nfs/dbraw/zinc/19/29/32/556192932.db2.gz OQTXJDSXPPNKMX-UHFFFAOYSA-N 0 0 435.804 5.312 50 10 IKCARN COc1ccc(CCN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1OC ZINC000008648167 556195976 /nfs/dbraw/zinc/19/59/76/556195976.db2.gz ZBFBNIYUPPSLCH-PXLXIMEGSA-N 0 0 435.570 5.301 50 10 IKCARN C=CC(=O)Nc1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O ZINC000008694290 556200560 /nfs/dbraw/zinc/20/05/60/556200560.db2.gz QLRGFKZJTZXYCF-UHFFFAOYSA-N 0 0 425.484 5.676 50 10 IKCARN CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1)c1ccccc1 ZINC000008763285 556211743 /nfs/dbraw/zinc/21/17/43/556211743.db2.gz OQDAPAQAWBCPJQ-VWLOTQADSA-N 0 0 430.456 5.152 50 10 biogenic IKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000008955658 556236527 /nfs/dbraw/zinc/23/65/27/556236527.db2.gz XGCPTORZWVSKKN-XMMPIXPASA-N 0 0 443.502 5.407 50 10 IKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000009188922 556252019 /nfs/dbraw/zinc/25/20/19/556252019.db2.gz QHWJDDIBNNTUAP-MOSHPQCFSA-N 0 0 431.388 5.918 50 10 IKCARN Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000009264553 556270399 /nfs/dbraw/zinc/27/03/99/556270399.db2.gz UCOJUCNYPRIOIX-HZHRSRAPSA-N 0 0 441.918 5.749 50 10 IKCARN O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000009296639 556275501 /nfs/dbraw/zinc/27/55/01/556275501.db2.gz ZXWWKZCCZDGDLL-VGOFMYFVSA-N 0 0 428.735 5.647 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000009310398 556278826 /nfs/dbraw/zinc/27/88/26/556278826.db2.gz LCQHWGGRGPRITR-RCCKNPSSSA-N 0 0 447.541 5.769 50 10 IKCARN COc1ccc2nc(Cl)c(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)cc2c1 ZINC000013692096 556281690 /nfs/dbraw/zinc/28/16/90/556281690.db2.gz JUHXEUQKGIMJFQ-LICLKQGHSA-N 0 0 428.922 5.008 50 10 IKCARN Cc1ccc(SCCNC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000009482217 556293763 /nfs/dbraw/zinc/29/37/63/556293763.db2.gz JTSRCFCVBKYMLN-UHFFFAOYSA-N 0 0 441.021 5.958 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013739154 556298127 /nfs/dbraw/zinc/29/81/27/556298127.db2.gz ANUBAMYZSAOOSS-YRUBURHZSA-N 0 0 440.373 5.634 50 10 IKCARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000009601784 556302645 /nfs/dbraw/zinc/30/26/45/556302645.db2.gz LLEOTASCIBBAOE-JOCHJYFZSA-N 0 0 435.597 5.780 50 10 IKCARN CN(C)c1ccc(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000009779408 556308698 /nfs/dbraw/zinc/30/86/98/556308698.db2.gz ANZMBQONUSMDFY-UHFFFAOYSA-N 0 0 441.619 7.059 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000013785270 556308862 /nfs/dbraw/zinc/30/88/62/556308862.db2.gz UKUAVXGQVXMXQC-SXGWCWSVSA-N 0 0 425.453 5.128 50 10 IKCARN 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/nfs/dbraw/zinc/31/04/88/556310488.db2.gz GUNXOVNNHNNGGS-JWGURIENSA-N 0 0 446.597 5.768 50 10 IKCARN Cc1c(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(Cl)nn1-c1ccccc1 ZINC000013810577 556311873 /nfs/dbraw/zinc/31/18/73/556311873.db2.gz OOUIXKKTDVGRHR-JLFKZYKSSA-N 0 0 445.935 5.138 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013811046 556312298 /nfs/dbraw/zinc/31/22/98/556312298.db2.gz VSAYGNZJZMDMSU-JFBLTNLISA-N 0 0 431.348 5.568 50 10 IKCARN O=C1C(=Cc2cccc(Br)c2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000009914677 556316659 /nfs/dbraw/zinc/31/66/59/556316659.db2.gz JHDLWGVJBXWCRU-ZROIWOOFSA-N 0 0 448.392 5.287 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1Cc1ccccc1 ZINC000009933390 556316863 /nfs/dbraw/zinc/31/68/63/556316863.db2.gz LYRIILXCTMJWDX-HAVVHWLPSA-N 0 0 448.478 6.322 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000009934511 556318270 /nfs/dbraw/zinc/31/82/70/556318270.db2.gz YOQVIGAWGNCCGD-XDJHFCHBSA-N 0 0 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ZINC000013940001 556337610 /nfs/dbraw/zinc/33/76/10/556337610.db2.gz XTZDNEHMJXPPIL-MOSHPQCFSA-N 0 0 435.526 5.135 50 10 IKCARN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000013940245 556337622 /nfs/dbraw/zinc/33/76/22/556337622.db2.gz PBOUOLJOVTZSNU-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013940295 556337995 /nfs/dbraw/zinc/33/79/95/556337995.db2.gz KTDOXJNQLKAOJL-UUASQNMZSA-N 0 0 430.765 5.715 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl ZINC000013940790 556338279 /nfs/dbraw/zinc/33/82/79/556338279.db2.gz PDZIYEBXXWIGLG-QLSUFNALSA-N 0 0 445.931 6.213 50 10 IKCARN N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000013942153 556339286 /nfs/dbraw/zinc/33/92/86/556339286.db2.gz AXHTXLUIYSWMJV-ZTHFNACSSA-N 0 0 449.492 5.054 50 10 IKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000004509162 556373444 /nfs/dbraw/zinc/37/34/44/556373444.db2.gz 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Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000013304041 556502070 /nfs/dbraw/zinc/50/20/70/556502070.db2.gz XRSJPTLZINOZRY-DMMSUNFISA-N 0 0 447.606 6.024 50 10 IKCARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)NC1=O ZINC000013305625 556502432 /nfs/dbraw/zinc/50/24/32/556502432.db2.gz FPYPMIFTPVAAGV-UAPYWLNTSA-N 0 0 441.577 5.962 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=N)S1 ZINC000030721854 556502653 /nfs/dbraw/zinc/50/26/53/556502653.db2.gz AMGNVMMQDCCWBX-GQFJHEMJSA-N 0 0 447.347 5.919 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1 ZINC000013511675 556510540 /nfs/dbraw/zinc/51/05/40/556510540.db2.gz PQGQJJKFPISUFS-FBIWUZAXSA-N 0 0 449.605 5.043 50 10 IKCARN CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1OC ZINC000015219291 556511804 /nfs/dbraw/zinc/51/18/04/556511804.db2.gz PRULTHQJMVFROH-SXGZJXTBSA-N 0 0 445.313 5.591 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013562567 556517832 /nfs/dbraw/zinc/51/78/32/556517832.db2.gz XJEPTHCZRREENG-QJOMJCCJSA-N 0 0 435.439 5.689 50 10 IKCARN COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)ccc1O ZINC000013564582 556518621 /nfs/dbraw/zinc/51/86/21/556518621.db2.gz DTTXISQANLXPKE-KBEAHSEHSA-N 0 0 440.543 5.998 50 10 IKCARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000015412908 556525733 /nfs/dbraw/zinc/52/57/33/556525733.db2.gz AIDJGNIGEFBJEZ-RUZDIDTESA-N 0 0 447.966 5.144 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000013590970 556529140 /nfs/dbraw/zinc/52/91/40/556529140.db2.gz NVNXJRIIIGQALF-LFMVTYOGSA-N 0 0 440.373 5.634 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013600882 556532666 /nfs/dbraw/zinc/53/26/66/556532666.db2.gz BEBLRXIAFOQRIS-CAOOACKPSA-N 0 0 440.373 5.412 50 10 IKCARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000013601376 556532723 /nfs/dbraw/zinc/53/27/23/556532723.db2.gz 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ZINC000033906040 556569122 /nfs/dbraw/zinc/56/91/22/556569122.db2.gz XSCNMUZFPOISBV-ZHZULCJRSA-N 0 0 441.574 5.657 50 10 IKCARN CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016033707 556577080 /nfs/dbraw/zinc/57/70/80/556577080.db2.gz HXHIWHPHFWOLRQ-KKUQBAQOSA-N 0 0 433.507 5.017 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1 ZINC000032964108 556584704 /nfs/dbraw/zinc/58/47/04/556584704.db2.gz YGBCKNRSOUSPFW-MJJUSULESA-N 0 0 432.336 5.203 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1 ZINC000032964405 556587058 /nfs/dbraw/zinc/58/70/58/556587058.db2.gz UUDMRIFSKKNKQM-OLKKAHHKSA-N 0 0 446.363 5.449 50 10 IKCARN CCc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000032964462 556587245 /nfs/dbraw/zinc/58/72/45/556587245.db2.gz MTRIEIVBGWNYDP-DWCAQMBTSA-N 0 0 431.565 5.239 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 ZINC000016192850 556588783 /nfs/dbraw/zinc/58/87/83/556588783.db2.gz HJEIXSKSANGGGK-APSNUPSMSA-N 0 0 426.346 5.416 50 10 IKCARN COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000016214166 556591420 /nfs/dbraw/zinc/59/14/20/556591420.db2.gz LJDSYZKMFLYYCU-MLPAPPSSSA-N 0 0 444.759 5.106 50 10 IKCARN CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C(=N)N12 ZINC000032974143 556596313 /nfs/dbraw/zinc/59/63/13/556596313.db2.gz BGLWIDJXYSAIMA-SRRKIXIOSA-N 0 0 442.591 5.290 50 10 IKCARN O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000016398883 556605047 /nfs/dbraw/zinc/60/50/47/556605047.db2.gz ZXWWKZCCZDGDLL-AUWJEWJLSA-N 0 0 428.735 5.647 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 ZINC000033674371 556620753 /nfs/dbraw/zinc/62/07/53/556620753.db2.gz UEQGDRDPLSEERV-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016689041 556627090 /nfs/dbraw/zinc/62/70/90/556627090.db2.gz UILKPMXCCDFHLI-MFOYZWKCSA-N 0 0 440.373 5.460 50 10 IKCARN CCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OCC ZINC000016713547 556630663 /nfs/dbraw/zinc/63/06/63/556630663.db2.gz GZDNKYAISSTTRQ-XLNRJJMWSA-N 0 0 441.618 5.708 50 10 IKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S ZINC000016736930 556633612 /nfs/dbraw/zinc/63/36/12/556633612.db2.gz ITHUXMUDUDORRK-HKWRFOASSA-N 0 0 434.590 5.326 50 10 IKCARN CCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016742619 556636604 /nfs/dbraw/zinc/63/66/04/556636604.db2.gz DGNHMNNSMFIXEN-JYRVWZFOSA-N 0 0 430.776 5.850 50 10 IKCARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc2ccccc21 ZINC000016771384 556640458 /nfs/dbraw/zinc/64/04/58/556640458.db2.gz LMGINEAFXPWKEC-CRBYHUFUSA-N 0 0 430.554 5.236 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000016791053 556642774 /nfs/dbraw/zinc/64/27/74/556642774.db2.gz IDOFVDVYSKOXIQ-OOWUWCJESA-N 0 0 434.026 7.018 50 10 IKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 ZINC000016790480 556642786 /nfs/dbraw/zinc/64/27/86/556642786.db2.gz YCXWPGYLHSUOPX-CYYJNZCTSA-N 0 0 428.319 7.043 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCc1ccccc1 ZINC000013603058 556701725 /nfs/dbraw/zinc/70/17/25/556701725.db2.gz XVTWQNBGKSUGMZ-XKZIYDEJSA-N 0 0 432.907 5.734 50 10 IKCARN N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000033899705 556722497 /nfs/dbraw/zinc/72/24/97/556722497.db2.gz JYESIIJEEQEHPO-HORDIMCOSA-N 0 0 444.541 5.457 50 10 IKCARN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1OC ZINC000033922183 556731679 /nfs/dbraw/zinc/73/16/79/556731679.db2.gz LMOFVLWTPSNGII-DEDYPNTBSA-N 0 0 448.902 5.918 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000033930590 556742339 /nfs/dbraw/zinc/74/23/39/556742339.db2.gz QMYQJNUFVMBZKV-STZFKDTASA-N 0 0 434.542 5.075 50 10 IKCARN Cc1cc(C(=O)COC(=O)C=Cc2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372996 556812254 /nfs/dbraw/zinc/81/22/54/556812254.db2.gz QSLZIBSVQJUNPX-IZZDOVSWSA-N 0 0 443.421 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ZRAWZKCQOCJZCW-XSFVSMFZSA-N 0 0 437.565 5.680 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccco1 ZINC000019893710 556940008 /nfs/dbraw/zinc/94/00/08/556940008.db2.gz SOPPOOGQGAAMEC-MFOYZWKCSA-N 0 0 436.341 6.248 50 10 IKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(C)C1=O ZINC000019912640 556943313 /nfs/dbraw/zinc/94/33/13/556943313.db2.gz WOXCKSZFIPNRNQ-FYJGNVAPSA-N 0 0 433.602 5.802 50 10 IKCARN Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000020033552 556969411 /nfs/dbraw/zinc/96/94/11/556969411.db2.gz YVIFCSCQCFPNQE-WCYRKSIYSA-N 0 0 444.600 6.239 50 10 IKCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000020059485 556975556 /nfs/dbraw/zinc/97/55/56/556975556.db2.gz JQCLFWCFVHIRFO-DEDYPNTBSA-N 0 0 432.882 6.006 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000015855771 556985540 /nfs/dbraw/zinc/98/55/40/556985540.db2.gz XPBHCWRAZYHRFK-TUKHXMGSSA-N 0 0 439.544 5.070 50 10 IKCARN O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)o2)c(Cl)c1 ZINC000023115454 557005879 /nfs/dbraw/zinc/00/58/79/557005879.db2.gz BOZRKVIWKUZKDC-UHFFFAOYSA-N 0 0 441.940 5.002 50 10 IKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21 ZINC000020329101 557007976 /nfs/dbraw/zinc/00/79/76/557007976.db2.gz PSQOCDMLJRKTTP-GOSISDBHSA-N 0 0 425.956 5.816 50 10 IKCARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=N)N12 ZINC000032945414 557029543 /nfs/dbraw/zinc/02/95/43/557029543.db2.gz NWKARICAVQANFX-MKGVMWAWSA-N 0 0 428.564 5.069 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(C)c1 ZINC000111441311 557045372 /nfs/dbraw/zinc/04/53/72/557045372.db2.gz GXQQCRJNMBUKQF-KYTVRQNUSA-N 0 0 448.563 6.070 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000111478773 557045639 /nfs/dbraw/zinc/04/56/39/557045639.db2.gz IBIOMFGDGXSFOT-JQYIIUTOSA-N 0 0 446.572 5.631 50 10 IKCARN Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000043769601 557078832 /nfs/dbraw/zinc/07/88/32/557078832.db2.gz YVIFCSCQCFPNQE-NOTUOJBMSA-N 0 0 444.600 6.239 50 10 IKCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000043773485 557090947 /nfs/dbraw/zinc/09/09/47/557090947.db2.gz FLILAMIIHKBRPE-RNHFSVANSA-N 0 0 434.536 5.761 50 10 IKCARN CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N12 ZINC000049589746 557116495 /nfs/dbraw/zinc/11/64/95/557116495.db2.gz UDRTYLWKFWAPCG-HBEYSNBZSA-N 0 0 427.888 5.225 50 10 IKCARN CCOc1ccccc1/C=C1/C(=O)N(c2cc(Cl)cc(Cl)c2)C(C)=C1C(=O)OC ZINC000033332204 557117309 /nfs/dbraw/zinc/11/73/09/557117309.db2.gz TWCQMHDBJWQNAW-GIJQJNRQSA-N 0 0 432.303 5.269 50 10 IKCARN CCOc1cc(N(CC)CC)ccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000033349375 557127719 /nfs/dbraw/zinc/12/77/19/557127719.db2.gz XNYRUOJQFQKACE-UDWIEESQSA-N 0 0 430.957 5.826 50 10 IKCARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(C)c2)N3)c1 ZINC000000653895 557129803 /nfs/dbraw/zinc/12/98/03/557129803.db2.gz IIQKVBNNKZPKIC-PLXFJCCSSA-N 0 0 446.572 5.631 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 ZINC000103122590 557130614 /nfs/dbraw/zinc/13/06/14/557130614.db2.gz GCMLMVCXNLXJOT-PLNGWDEDSA-N 0 0 427.504 5.448 50 10 IKCARN CCOc1cc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c(Br)cc1OC ZINC000000671095 557133219 /nfs/dbraw/zinc/13/32/19/557133219.db2.gz OVBWIMOAGUJILH-VCHYOVAHSA-N 0 0 432.339 5.226 50 10 IKCARN O=C(c1cccc(Br)c1)N(Cc1ccccc1O)c1cccc2ccccc21 ZINC000095470292 557157270 /nfs/dbraw/zinc/15/72/70/557157270.db2.gz SSYWYWFFBNZOLF-UHFFFAOYSA-N 0 0 432.317 6.155 50 10 IKCARN Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@@H]42)c1Cl ZINC000169616976 557208133 /nfs/dbraw/zinc/20/81/33/557208133.db2.gz OOLWDDHOESJTDM-HZGFKZENSA-N 0 0 444.405 8.041 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000169616524 557208157 /nfs/dbraw/zinc/20/81/57/557208157.db2.gz JMZLFTVBMPZFSD-UYWIDEMCSA-N 0 0 445.946 5.533 50 10 IKCARN COc1cccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1 ZINC000000798211 557213336 /nfs/dbraw/zinc/21/33/36/557213336.db2.gz OUQJQWDNBXXIPT-UHFFFAOYSA-N 0 0 438.549 5.127 50 10 IKCARN CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025559546 557214465 /nfs/dbraw/zinc/21/44/65/557214465.db2.gz KBTPBDVRURBDLC-VWNXMTODSA-N 0 0 448.364 5.757 50 10 IKCARN O=C1c2cccc(NCCc3ccccc3)c2C(=O)c2cccc(NCCc3ccccc3)c21 ZINC000025560053 557214782 /nfs/dbraw/zinc/21/47/82/557214782.db2.gz RYRKKXQTECNKBL-UHFFFAOYSA-N 0 0 446.550 5.771 50 10 IKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572796 557215134 /nfs/dbraw/zinc/21/51/34/557215134.db2.gz IEFJFGHRKIGBDM-DENIHFKCSA-N 0 0 439.284 5.536 50 10 IKCARN CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000025581383 557216322 /nfs/dbraw/zinc/21/63/22/557216322.db2.gz DONWYLRIMUCXPW-UDWIEESQSA-N 0 0 437.565 5.536 50 10 IKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000025581342 557216378 /nfs/dbraw/zinc/21/63/78/557216378.db2.gz HZTZPVBNXGGBNU-XMHGGMMESA-N 0 0 439.631 5.992 50 10 IKCARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)c1 ZINC000025581941 557216737 /nfs/dbraw/zinc/21/67/37/557216737.db2.gz MJNBPQFGXZARHX-UKILVPOCSA-N 0 0 433.939 5.657 50 10 IKCARN O=C(Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)Cc2ccccc2)c1 ZINC000098087469 557233557 /nfs/dbraw/zinc/23/35/57/557233557.db2.gz YXZKLXSFCLJASI-QNEJGDQOSA-N 0 0 448.526 6.464 50 10 IKCARN COc1ccc2c(c1)N(C)/C(=C1/SC(N(c3ccccc3)c3ccccc3)=NC1=O)S2 ZINC000100072849 557239936 /nfs/dbraw/zinc/23/99/36/557239936.db2.gz DTONPPPSSVUDOG-LNVKXUELSA-N 0 0 445.569 5.874 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000018173632 557245622 /nfs/dbraw/zinc/24/56/22/557245622.db2.gz MRESIZYIMNGHKT-MIZPHKNDSA-N 0 0 430.891 6.306 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccccc1 ZINC000018190559 557246444 /nfs/dbraw/zinc/24/64/44/557246444.db2.gz ODPKFIATKHTLNJ-MTJSOVHGSA-N 0 0 440.927 6.123 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000026686984 557246506 /nfs/dbraw/zinc/24/65/06/557246506.db2.gz BDGVJRKAMQMRAU-DABDWFRDSA-N 0 0 436.514 5.817 50 10 IKCARN c1ccc(COc2ccc(/N=N/c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1 ZINC000018191751 557247061 /nfs/dbraw/zinc/24/70/61/557247061.db2.gz OZKLKPMDABTNDA-QNEJGDQOSA-N 0 0 430.511 7.738 50 10 IKCARN O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000027061400 557256273 /nfs/dbraw/zinc/25/62/73/557256273.db2.gz AEGRPEZBLVBOQF-LPMANIQASA-N 0 0 435.570 5.127 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C\c2nc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S ZINC000027562521 557265380 /nfs/dbraw/zinc/26/53/80/557265380.db2.gz UZNHVXVJUBARRB-NISQSXRWSA-N 0 0 434.590 5.242 50 10 IKCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc5ccccc54)N=C3C)sc2c1 ZINC000101350263 557279737 /nfs/dbraw/zinc/27/97/37/557279737.db2.gz NAZFCJITAOKFML-RGEXLXHISA-N 0 0 428.517 5.567 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCCc1ccccc1 ZINC000101351702 557291602 /nfs/dbraw/zinc/29/16/02/557291602.db2.gz LBDHLLPOQODNBF-XQNSMLJCSA-N 0 0 430.479 5.262 50 10 IKCARN CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101674823 557293308 /nfs/dbraw/zinc/29/33/08/557293308.db2.gz SZTXVDPMMIVKNV-SLSDLSHTSA-N 0 0 443.930 6.323 50 10 IKCARN Cc1ccc(Sc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1 ZINC000031842146 557294417 /nfs/dbraw/zinc/29/44/17/557294417.db2.gz OFQGNNJCTLCIDP-HRXHUYTNSA-N 0 0 443.553 6.043 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000031982970 557299062 /nfs/dbraw/zinc/29/90/62/557299062.db2.gz YQNYDUDQTJQEHW-FWPSJRISSA-N 0 0 426.929 5.655 50 10 IKCARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031557 557321651 /nfs/dbraw/zinc/32/16/51/557321651.db2.gz SHTBDDHHLYMQFP-QFQXNSOFSA-N 0 0 426.604 6.722 50 10 IKCARN CC(C)N1C(=O)/C(=C\c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S ZINC000033294714 557330381 /nfs/dbraw/zinc/33/03/81/557330381.db2.gz YUSZPCCRIWLVFJ-LZYBPNLTSA-N 0 0 438.914 5.030 50 10 IKCARN Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458420 557338344 /nfs/dbraw/zinc/33/83/44/557338344.db2.gz NUNRFKNXAHVCNW-OBTVHEKISA-N 0 0 444.600 6.239 50 10 IKCARN Nc1ccc(Oc2ccc(-c3nnc(-c4ccc(Oc5ccc(N)cc5)cc4)o3)cc2)cc1 ZINC000000838080 557338469 /nfs/dbraw/zinc/33/84/69/557338469.db2.gz VOAHCPQKAZCUPQ-UHFFFAOYSA-N 0 0 436.471 6.153 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013562254 557352878 /nfs/dbraw/zinc/35/28/78/557352878.db2.gz XHUJUZMMNHEFPO-GPMSIDNRSA-N 0 0 432.261 5.334 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000033725189 557353873 /nfs/dbraw/zinc/35/38/73/557353873.db2.gz LLDIULJHJJGCOM-HAHDFKILSA-N 0 0 447.581 5.988 50 10 IKCARN O=C(SC1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1)c1ccccc1Br ZINC000033909749 557383339 /nfs/dbraw/zinc/38/33/39/557383339.db2.gz KQEVYYMVPMCVIA-ZROIWOOFSA-N 0 0 438.755 5.646 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=N)S1 ZINC000033924943 557385022 /nfs/dbraw/zinc/38/50/22/557385022.db2.gz FVLALKIONKCDMQ-MJBUPYINSA-N 0 0 427.533 5.277 50 10 IKCARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000033437947 557398033 /nfs/dbraw/zinc/39/80/33/557398033.db2.gz YYKOYDNRXADSMH-ZBKNUEDVSA-N 0 0 440.355 5.171 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=N)S1 ZINC000033532521 557408500 /nfs/dbraw/zinc/40/85/00/557408500.db2.gz SALAHNMMZDAXSC-STJRUAKNSA-N 0 0 445.470 5.142 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1OC ZINC000033558091 557410817 /nfs/dbraw/zinc/41/08/17/557410817.db2.gz GAFOBHQAGJPDKD-PXNMLYILSA-N 0 0 449.732 5.316 50 10 IKCARN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000102989044 557414338 /nfs/dbraw/zinc/41/43/38/557414338.db2.gz NUXIULFPJVAFPI-VAKZPMALSA-N 0 0 447.376 5.854 50 10 IKCARN CN(C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1)C1CCCCC1 ZINC000103070353 557418013 /nfs/dbraw/zinc/41/80/13/557418013.db2.gz AWJWIAPGJXMMOJ-RIFNKFLMSA-N 0 0 444.457 5.887 50 10 IKCARN COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1Br ZINC000100540762 557425547 /nfs/dbraw/zinc/42/55/47/557425547.db2.gz FGJAAUYGCYCBBX-NTUHNPAUSA-N 0 0 440.124 5.571 50 10 IKCARN CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000033620787 557425645 /nfs/dbraw/zinc/42/56/45/557425645.db2.gz GYYCUOIMPSTNBY-UNOMPAQXSA-N 0 0 446.378 6.044 50 10 IKCARN Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014458421 557447041 /nfs/dbraw/zinc/44/70/41/557447041.db2.gz NUNRFKNXAHVCNW-WCYRKSIYSA-N 0 0 444.600 6.239 50 10 IKCARN CC[C@@H](Cc1ccc(N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000225613436 557752162 /nfs/dbraw/zinc/75/21/62/557752162.db2.gz IXMBRVYIPSDCOS-SFHVURJKSA-N 0 0 432.545 5.210 50 10 IKCARN CCC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856815 557831413 /nfs/dbraw/zinc/83/14/13/557831413.db2.gz MGXGZBQGUWYKSQ-AZGAKELHSA-N 0 0 436.640 5.870 50 10 biogenic IKCARN CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856816 557831430 /nfs/dbraw/zinc/83/14/30/557831430.db2.gz MGXGZBQGUWYKSQ-RSXGOPAZSA-N 0 0 436.640 5.870 50 10 biogenic IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 ZINC000000869706 557840452 /nfs/dbraw/zinc/84/04/52/557840452.db2.gz ODRSFGKEBWMYOS-SLSDLSHTSA-N 0 0 432.545 5.323 50 10 IKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000892086 557859341 /nfs/dbraw/zinc/85/93/41/557859341.db2.gz DOQQKPHEYWZXPS-UHFFFAOYSA-N 0 0 425.863 5.490 50 10 IKCARN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O ZINC000002199951 562926225 /nfs/dbraw/zinc/92/62/25/562926225.db2.gz WNYYRVZLSZMJQM-ZIAGYGMSSA-N 0 0 435.549 5.120 50 10 IKCARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006747973 562948311 /nfs/dbraw/zinc/94/83/11/562948311.db2.gz BUEIZOGQAYYAJZ-HXUWFJFHSA-N 0 0 426.944 5.282 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1cccnc1)CCCC2 ZINC000008583565 562949771 /nfs/dbraw/zinc/94/97/71/562949771.db2.gz VXUUYVRPKSPTBH-UHFFFAOYSA-N 0 0 427.957 5.548 50 10 IKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccc(Br)c3)cc1)CC[C@@H](C)C2 ZINC000008590292 562951537 /nfs/dbraw/zinc/95/15/37/562951537.db2.gz OYFZXJNLFWJKCQ-MRXNPFEDSA-N 0 0 437.381 5.603 50 10 IKCARN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 ZINC000008608775 562957491 /nfs/dbraw/zinc/95/74/91/562957491.db2.gz MNCGOBFFDYOANG-HHHXNRCGSA-N 0 0 443.591 5.074 50 10 aggregator IKCARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000008612167 562959114 /nfs/dbraw/zinc/95/91/14/562959114.db2.gz PPUDNSIDHWHEDR-UHFFFAOYSA-N 0 0 436.939 6.205 50 10 aggregator IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000008691488 562963461 /nfs/dbraw/zinc/96/34/61/562963461.db2.gz GLISAZSLBRIEOQ-NHOPXOSBSA-N 0 0 433.581 5.458 50 10 IKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1ccc(Br)cc1 ZINC000009075556 562966961 /nfs/dbraw/zinc/96/69/61/562966961.db2.gz UTZOOJMZMLLULY-CQSZACIVSA-N 0 0 442.353 5.611 50 10 IKCARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCCC2)c(=O)c1-c1ccc(Br)cc1 ZINC000009209452 562968207 /nfs/dbraw/zinc/96/82/07/562968207.db2.gz MKWUXXVIKFHKLC-UHFFFAOYSA-N 0 0 428.326 5.222 50 10 IKCARN CC(=O)N[C@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000015919685 563018354 /nfs/dbraw/zinc/01/83/54/563018354.db2.gz XGFZZURANXHOPT-OAHLLOKOSA-N 0 0 444.775 5.221 50 10 IKCARN CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(C[NH+]3CCCC3)c2oc1C(F)(F)F ZINC000019792859 563022952 /nfs/dbraw/zinc/02/29/52/563022952.db2.gz HFPMUGZCCXOEPI-UHFFFAOYSA-N 0 0 447.453 6.029 50 10 IKCARN COc1cccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)c1 ZINC000020755893 563025049 /nfs/dbraw/zinc/02/50/49/563025049.db2.gz HRRRIURHGMFFFH-QFIPXVFZSA-N 0 0 448.906 5.130 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053151163 563141072 /nfs/dbraw/zinc/14/10/72/563141072.db2.gz XKLPSSJPCWPKBB-IFMALSPDSA-N 0 0 431.750 6.575 50 10 IKCARN CC(=O)Nc1c(Oc2ccc(C(C)(C)C)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O ZINC000015083002 568637965 /nfs/dbraw/zinc/63/79/65/568637965.db2.gz ROLOLATYSNEFRM-UHFFFAOYSA-N 0 0 429.472 5.216 50 10 IKCARN Cc1c(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000000975219 568648031 /nfs/dbraw/zinc/64/80/31/568648031.db2.gz DGGUXMVMMCUGOA-ZHZULCJRSA-N 0 0 449.601 5.014 50 10 IKCARN Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000980757 568648729 /nfs/dbraw/zinc/64/87/29/568648729.db2.gz RBXVTBRREZJBBJ-HMAPJEAMSA-N 0 0 444.560 5.284 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccco1 ZINC000001071253 568655032 /nfs/dbraw/zinc/65/50/32/568655032.db2.gz VZTAPRZZVREPEW-NDENLUEZSA-N 0 0 425.506 5.399 50 10 IKCARN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1 ZINC000001099148 568659031 /nfs/dbraw/zinc/65/90/31/568659031.db2.gz OATGUVJSNPZSPQ-CPNJWEJPSA-N 0 0 427.547 5.267 50 10 IKCARN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)SC2=S)cc1 ZINC000001164547 568664676 /nfs/dbraw/zinc/66/46/76/568664676.db2.gz MABNJTPYJYTFMC-MOSHPQCFSA-N 0 0 435.526 5.209 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000001187194 568736161 /nfs/dbraw/zinc/73/61/61/568736161.db2.gz HLJOKRVHNBATSP-YVLHZVERSA-N 0 0 437.945 5.288 50 10 IKCARN CN(C)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1Br ZINC000001874489 568742008 /nfs/dbraw/zinc/74/20/08/568742008.db2.gz GEBLKFDINOEXGN-JOCHJYFZSA-N 0 0 433.349 5.930 50 10 IKCARN Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085591 568747421 /nfs/dbraw/zinc/74/74/21/568747421.db2.gz BZCRRCZGDAXEGO-UHFFFAOYSA-N 0 0 436.762 5.234 50 10 IKCARN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000004048158 568759921 /nfs/dbraw/zinc/75/99/21/568759921.db2.gz MWPIHIXYMYKFQK-VEVIJQCQSA-N 0 0 442.127 6.425 50 10 IKCARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1C ZINC000001252300 568775151 /nfs/dbraw/zinc/77/51/51/568775151.db2.gz KFQISZBTILRYCN-PDGQHHTCSA-N 0 0 430.982 5.187 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)ccc1O ZINC000001293599 568778570 /nfs/dbraw/zinc/77/85/70/568778570.db2.gz ITGGRISVSQMMKN-ZHZULCJRSA-N 0 0 428.579 5.043 50 10 IKCARN Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346774 568782110 /nfs/dbraw/zinc/78/21/10/568782110.db2.gz PQHNHZWSOPKQIX-FLIBITNWSA-N 0 0 425.659 5.274 50 10 IKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000101350206 568795210 /nfs/dbraw/zinc/79/52/10/568795210.db2.gz JHPAKZNDQKBEHC-MOSHPQCFSA-N 0 0 434.337 5.938 50 10 IKCARN CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc1OC ZINC000085406425 568817633 /nfs/dbraw/zinc/81/76/33/568817633.db2.gz AVZWBDKFXIGXRA-LICLKQGHSA-N 0 0 447.304 5.192 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000001462138 568819883 /nfs/dbraw/zinc/81/98/83/568819883.db2.gz FQQVIFAPLAGXRR-ZHZULCJRSA-N 0 0 435.574 5.159 50 10 IKCARN CC(C)COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000085879390 568838969 /nfs/dbraw/zinc/83/89/69/568838969.db2.gz AUJSABFCIJABMH-UHFFFAOYSA-N 0 0 447.491 5.318 50 10 biogenic IKCARN Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)cc1 ZINC000015800243 568839389 /nfs/dbraw/zinc/83/93/89/568839389.db2.gz RBGZACIWBVNULU-PCHQCWAOSA-N 0 0 444.541 5.407 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363175 568866322 /nfs/dbraw/zinc/86/63/22/568866322.db2.gz CZIFWBIIIVBSSN-BVAGGSTKSA-N 0 0 434.967 6.229 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363100 568866346 /nfs/dbraw/zinc/86/63/46/568866346.db2.gz SVOZOXLFQNSOAE-LADGPHEKSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363141 568866375 /nfs/dbraw/zinc/86/63/75/568866375.db2.gz GKGXRKGMHJWPCX-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1 ZINC000053363039 568866388 /nfs/dbraw/zinc/86/63/88/568866388.db2.gz LUORFBZPFSYLMJ-UNMCSNQZSA-N 0 0 425.301 5.516 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362951 568866401 /nfs/dbraw/zinc/86/64/01/568866401.db2.gz UJKSUESWRWBMQY-JTHBVZDNSA-N 0 0 437.337 5.386 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363103 568866407 /nfs/dbraw/zinc/86/64/07/568866407.db2.gz SVOZOXLFQNSOAE-UPVQGACJSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363138 568866456 /nfs/dbraw/zinc/86/64/56/568866456.db2.gz GKGXRKGMHJWPCX-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363404 568866575 /nfs/dbraw/zinc/86/65/75/568866575.db2.gz BELSYEXBRQMBIE-JTHBVZDNSA-N 0 0 437.337 5.386 50 10 IKCARN COc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363406 568866610 /nfs/dbraw/zinc/86/66/10/568866610.db2.gz BELSYEXBRQMBIE-GMAHTHKFSA-N 0 0 437.337 5.386 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363179 568866616 /nfs/dbraw/zinc/86/66/16/568866616.db2.gz HCKVEGAHKPBXTO-ISKFKSNPSA-N 0 0 425.359 6.484 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363185 568866628 /nfs/dbraw/zinc/86/66/28/568866628.db2.gz HCKVEGAHKPBXTO-UPVQGACJSA-N 0 0 425.359 6.484 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363181 568866645 /nfs/dbraw/zinc/86/66/45/568866645.db2.gz HCKVEGAHKPBXTO-LADGPHEKSA-N 0 0 425.359 6.484 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363533 568866688 /nfs/dbraw/zinc/86/66/88/568866688.db2.gz LMENDBNAIUZLFE-ILBGXUMGSA-N 0 0 448.950 5.617 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364157 568866768 /nfs/dbraw/zinc/86/67/68/568866768.db2.gz WDFGHHHKGNIZRS-ZEQKJWHPSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364240 568866869 /nfs/dbraw/zinc/86/68/69/568866869.db2.gz UWPOMJDWCWXIJZ-SHQCIBLASA-N 0 0 430.548 5.584 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053363848 568866876 /nfs/dbraw/zinc/86/68/76/568866876.db2.gz YTVVJGSGJLUIPS-BVAGGSTKSA-N 0 0 432.520 5.031 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccccc3C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365032 568867071 /nfs/dbraw/zinc/86/70/71/568867071.db2.gz PKJRZZKFEPOWLG-VWNXMTODSA-N 0 0 435.365 5.994 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364996 568867100 /nfs/dbraw/zinc/86/71/00/568867100.db2.gz ZMWXTZUJNUJDKV-FYYLOGMGSA-N 0 0 439.328 5.825 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccccc3C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365027 568867141 /nfs/dbraw/zinc/86/71/41/568867141.db2.gz PKJRZZKFEPOWLG-ISKFKSNPSA-N 0 0 435.365 5.994 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(Cl)c2)N1 ZINC000053364707 568867150 /nfs/dbraw/zinc/86/71/50/568867150.db2.gz OYKFIMGHJCAGEJ-AUSIDOKSSA-N 0 0 441.314 5.650 50 10 IKCARN CCc1ccc(NCN2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1 ZINC000016161962 568872057 /nfs/dbraw/zinc/87/20/57/568872057.db2.gz CHSNUTXHMRWYDH-RCCKNPSSSA-N 0 0 425.623 5.366 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(C)c1 ZINC000016284808 568875359 /nfs/dbraw/zinc/87/53/59/568875359.db2.gz IQVFBAYYJXJLJI-NDENLUEZSA-N 0 0 436.514 5.877 50 10 IKCARN Cc1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000016283197 568875374 /nfs/dbraw/zinc/87/53/74/568875374.db2.gz WZJBKGXYDKGTQN-NDENLUEZSA-N 0 0 436.514 5.565 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000001181743 568880716 /nfs/dbraw/zinc/88/07/16/568880716.db2.gz UIIVXJLNYZUOJD-XSFVSMFZSA-N 0 0 438.618 5.540 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)cc1 ZINC000006241620 568880805 /nfs/dbraw/zinc/88/08/05/568880805.db2.gz LKOHGFCXPAZGDV-PKXQUSJVSA-N 0 0 434.624 5.360 50 10 biogenic IKCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 ZINC000001219222 568884820 /nfs/dbraw/zinc/88/48/20/568884820.db2.gz CTMNAPHEFBKCKH-UNOMPAQXSA-N 0 0 438.486 5.269 50 10 IKCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000226908465 568885620 /nfs/dbraw/zinc/88/56/20/568885620.db2.gz FLILAMIIHKBRPE-FHAGJXEFSA-N 0 0 434.536 5.761 50 10 IKCARN Cc1cc(/C=C2\c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000033039478 568895931 /nfs/dbraw/zinc/89/59/31/568895931.db2.gz KECXKOCXPCGTSL-OVVQPSECSA-N 0 0 432.523 6.130 50 10 IKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001759165 568905132 /nfs/dbraw/zinc/90/51/32/568905132.db2.gz IEGSWZFWHRCJIU-ZHZULCJRSA-N 0 0 435.574 5.618 50 10 IKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccccc1Br ZINC000001774439 568906339 /nfs/dbraw/zinc/90/63/39/568906339.db2.gz OMMKZQDOMZFSRC-HSZRJFAPSA-N 0 0 432.317 5.827 50 10 IKCARN Cc1cc(N[C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 ZINC000001796244 568908209 /nfs/dbraw/zinc/90/82/09/568908209.db2.gz DBNBCVVSGQMOIV-DEOSSOPVSA-N 0 0 435.612 6.551 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577460 568909800 /nfs/dbraw/zinc/90/98/00/568909800.db2.gz PWGZGULYMMNJJP-BVAGGSTKSA-N 0 0 426.903 6.441 50 10 IKCARN CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025578337 568909902 /nfs/dbraw/zinc/90/99/02/568909902.db2.gz DDFODXNBWVAKQG-ISKFKSNPSA-N 0 0 438.358 6.302 50 10 IKCARN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccnc12 ZINC000006721267 568962826 /nfs/dbraw/zinc/96/28/26/568962826.db2.gz GHNCLEMOWSJPEL-UHFFFAOYSA-N 0 0 426.582 5.645 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000065080315 569101294 /nfs/dbraw/zinc/10/12/94/569101294.db2.gz NPEUWGYOWZZBGI-UHFFFAOYSA-N 0 0 443.547 5.629 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1cccc(F)c1)c1ccccc1 ZINC000065080373 569101296 /nfs/dbraw/zinc/10/12/96/569101296.db2.gz FNWRZOKZSVBIPB-UHFFFAOYSA-N 0 0 443.478 5.077 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NC1CCCCCC1)c1ccccc1 ZINC000065080258 569101307 /nfs/dbraw/zinc/10/13/07/569101307.db2.gz GWPYYJQDWJNWDG-UHFFFAOYSA-N 0 0 431.536 5.461 50 10 IKCARN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000065565052 569139295 /nfs/dbraw/zinc/13/92/95/569139295.db2.gz RCMGALWAWCTKKG-UHFFFAOYSA-N 0 0 431.536 5.009 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCC(C)C ZINC000013601939 569156317 /nfs/dbraw/zinc/15/63/17/569156317.db2.gz IQFARNWMDBSHJA-WQRHYEAKSA-N 0 0 447.362 6.233 50 10 IKCARN CC1(C)OC(=O)C(=CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)C(=O)O1 ZINC000002098088 569179437 /nfs/dbraw/zinc/17/94/37/569179437.db2.gz LZMZQJJMHUSGTQ-QHCPKHFHSA-N 0 0 448.563 5.102 50 10 biogenic IKCARN COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1Cl ZINC000002117998 569182653 /nfs/dbraw/zinc/18/26/53/569182653.db2.gz OLTRLZPBVKBHBQ-UHFFFAOYSA-N 0 0 447.918 5.711 50 10 biogenic IKCARN COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1OC ZINC000002121113 569183430 /nfs/dbraw/zinc/18/34/30/569183430.db2.gz ORLPRBRHNPWERC-UHFFFAOYSA-N 0 0 443.499 5.066 50 10 biogenic IKCARN CCOc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccc(OC)cc5)c4cc3C2)cc1 ZINC000002123168 569183795 /nfs/dbraw/zinc/18/37/95/569183795.db2.gz WCFNMIXRZJHIQL-UHFFFAOYSA-N 0 0 443.499 5.532 50 10 biogenic IKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(CC)C2=O)c(OCc2ccccc2)c1 ZINC000015008771 569187985 /nfs/dbraw/zinc/18/79/85/569187985.db2.gz RADZCXGJMGTAFY-KGENOOAVSA-N 0 0 426.607 5.333 50 10 IKCARN COc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000002160389 569188996 /nfs/dbraw/zinc/18/89/96/569188996.db2.gz XDHOWDJRXNXYSE-UHFFFAOYSA-N 0 0 427.500 5.366 50 10 biogenic IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000002195412 569191342 /nfs/dbraw/zinc/19/13/42/569191342.db2.gz VOYAPHVFLMKYKB-STZFKDTASA-N 0 0 449.601 5.468 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2CCCC[C@H]2C)c1[O-] ZINC000002200155 569191629 /nfs/dbraw/zinc/19/16/29/569191629.db2.gz ZNAPBJMDFYLPRS-OAHLLOKOSA-N 0 0 434.561 5.712 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000002200158 569191634 /nfs/dbraw/zinc/19/16/34/569191634.db2.gz ZNAPBJMDFYLPRS-HNNXBMFYSA-N 0 0 434.561 5.712 50 10 IKCARN COc1ccc(-c2nc3c4ccccc4ccn3c2N=Nc2nc3ccccc3n2C)cc1 ZINC000252610752 569195506 /nfs/dbraw/zinc/19/55/06/569195506.db2.gz IDFWWMMYXMINOY-UHFFFAOYSA-N 0 0 432.487 6.465 50 10 IKCARN O=C1C(=NNc2ccc(Cl)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000252637660 569208274 /nfs/dbraw/zinc/20/82/74/569208274.db2.gz XVKQVSUDKKABLM-UHFFFAOYSA-N 0 0 430.920 7.504 50 10 IKCARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000002234337 569211310 /nfs/dbraw/zinc/21/13/10/569211310.db2.gz OVMTYXTUUIVOPG-FKAPRUDGSA-N 0 0 437.524 5.569 50 10 IKCARN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000003641645 569211889 /nfs/dbraw/zinc/21/18/89/569211889.db2.gz LOCZCMHCHBBYDM-UHFFFAOYSA-N 0 0 439.515 5.711 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccccc1 ZINC000003036013 569213115 /nfs/dbraw/zinc/21/31/15/569213115.db2.gz LHSMSSSJYMTSOU-BOPFTXTBSA-N 0 0 432.353 6.659 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 ZINC000002259025 569215444 /nfs/dbraw/zinc/21/54/44/569215444.db2.gz ZIFKMVZTHATSNK-UNOMPAQXSA-N 0 0 445.487 6.680 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1CCc1ccccc1 ZINC000027496354 569215840 /nfs/dbraw/zinc/21/58/40/569215840.db2.gz ZSUKBSUZERVALZ-ZHZULCJRSA-N 0 0 425.962 6.044 50 10 IKCARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 ZINC000002268522 569216511 /nfs/dbraw/zinc/21/65/11/569216511.db2.gz JNWQBMKIMRUQJS-PDGQHHTCSA-N 0 0 430.982 5.187 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000027519436 569217984 /nfs/dbraw/zinc/21/79/84/569217984.db2.gz VXTSUQWHGKHFLK-CPNJWEJPSA-N 0 0 427.416 5.283 50 10 IKCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+](CC(C)C)CC(C)C)c1[O-] ZINC000002277625 569218025 /nfs/dbraw/zinc/21/80/25/569218025.db2.gz HVXBIVDURXBBSC-UHFFFAOYSA-N 0 0 428.598 5.607 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000027519517 569218084 /nfs/dbraw/zinc/21/80/84/569218084.db2.gz IHQYMIANBUEGQN-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccc(Br)cc2)cc1 ZINC000027520821 569218290 /nfs/dbraw/zinc/21/82/90/569218290.db2.gz HVTCWYGYJBCBJP-STZFKDTASA-N 0 0 435.296 5.731 50 10 IKCARN O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1ccccc1 ZINC000027520982 569218355 /nfs/dbraw/zinc/21/83/55/569218355.db2.gz FWDPPAXXQWSTIB-UNOMPAQXSA-N 0 0 447.288 5.012 50 10 IKCARN COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC ZINC000027521790 569218943 /nfs/dbraw/zinc/21/89/43/569218943.db2.gz BQRAMFCYURNXGF-HMAPJEAMSA-N 0 0 442.515 5.164 50 10 IKCARN Cc1nn(-c2ccc(I)cc2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000244796151 569269408 /nfs/dbraw/zinc/26/94/08/569269408.db2.gz RUAAPMDPZDFLBY-UHFFFAOYSA-N 0 0 447.236 5.417 50 10 IKCARN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000002303805 569271494 /nfs/dbraw/zinc/27/14/94/569271494.db2.gz MJSLSMDTFZINHT-WQRHYEAKSA-N 0 0 430.331 5.994 50 10 IKCARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc43)C2=O)cc1 ZINC000002305715 569271704 /nfs/dbraw/zinc/27/17/04/569271704.db2.gz PSAWYUJCYKBAPP-NCELDCMTSA-N 0 0 445.518 6.488 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000002304906 569271722 /nfs/dbraw/zinc/27/17/22/569271722.db2.gz XVNIFCHLUMFPEX-UNOMPAQXSA-N 0 0 446.330 5.659 50 10 IKCARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 ZINC000253495502 569283241 /nfs/dbraw/zinc/28/32/41/569283241.db2.gz GUOBDRYNORJHSH-UQQQWYQISA-N 0 0 434.539 6.233 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1ccccc1C(F)(F)F)CCN2Cc1cnn(C)c1 ZINC000299791500 569283677 /nfs/dbraw/zinc/28/36/77/569283677.db2.gz GOTYBNLSUGYFKP-FQEVSTJZSA-N 0 0 433.499 5.691 50 10 IKCARN O=C1c2ccccc2-c2nc(/C=C/c3ccc(Cl)cc3)cc(-c3ccc4c(c3)OCO4)c21 ZINC000008873202 569291706 /nfs/dbraw/zinc/29/17/06/569291706.db2.gz MPLMBLKYLIHOKS-YRNVUSSQSA-N 0 0 437.882 6.513 50 10 IKCARN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000002381783 569292677 /nfs/dbraw/zinc/29/26/77/569292677.db2.gz OCZZGCIRJMKUMG-JXAWBTAJSA-N 0 0 430.620 5.457 50 10 IKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000011859183 569303005 /nfs/dbraw/zinc/30/30/05/569303005.db2.gz CMDHAQDQVSMWCQ-BKUYFWCQSA-N 0 0 444.947 6.060 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1 ZINC000011868498 569303086 /nfs/dbraw/zinc/30/30/86/569303086.db2.gz OBIADAXJYVPFDF-AWEZNQCLSA-N 0 0 447.453 5.567 50 10 IKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)coc32)C1 ZINC000002437344 569303927 /nfs/dbraw/zinc/30/39/27/569303927.db2.gz WBNYNVXJNQVMBN-AWEZNQCLSA-N 0 0 444.325 5.285 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(C)n1-c1ccccc1 ZINC000013141978 569311789 /nfs/dbraw/zinc/31/17/89/569311789.db2.gz DRLNVGMORNKJHC-UHFFFAOYSA-N 0 0 438.527 5.561 50 10 IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793075 569329347 /nfs/dbraw/zinc/32/93/47/569329347.db2.gz ZWRRQCIOXZGFSS-OAHLLOKOSA-N 0 0 447.453 5.850 50 10 IKCARN CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(C[NH+]3CCCC3)c2oc1C(F)(F)F ZINC000019793158 569329367 /nfs/dbraw/zinc/32/93/67/569329367.db2.gz JJIRJVSUANUCTC-UHFFFAOYSA-N 0 0 449.425 5.304 50 10 biogenic IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793005 569329371 /nfs/dbraw/zinc/32/93/71/569329371.db2.gz TWPNWSURLIGMFG-UHFFFAOYSA-N 0 0 441.833 5.805 50 10 IKCARN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000019793118 569329399 /nfs/dbraw/zinc/32/93/99/569329399.db2.gz BXDVDUZFEYJDRG-UHFFFAOYSA-N 0 0 447.453 5.912 50 10 IKCARN CN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)C1=O ZINC000020059383 569333051 /nfs/dbraw/zinc/33/30/51/569333051.db2.gz ZFOKUUXULWUQKL-JJIBRWJFSA-N 0 0 447.538 5.138 50 10 IKCARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070698 569333403 /nfs/dbraw/zinc/33/34/03/569333403.db2.gz GGBCREULTAGHTC-CYFREDJKSA-N 0 0 436.895 5.305 50 10 IKCARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1OC ZINC000020070788 569333437 /nfs/dbraw/zinc/33/34/37/569333437.db2.gz JFOCPAHVCOGNAJ-DVECYGJZSA-N 0 0 436.895 5.305 50 10 IKCARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)c1OC ZINC000020070712 569333442 /nfs/dbraw/zinc/33/34/42/569333442.db2.gz IGIKCDMWPFJRJZ-YADARESESA-N 0 0 436.895 5.305 50 10 IKCARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071394 569333727 /nfs/dbraw/zinc/33/37/27/569333727.db2.gz DOOLPJRQNSCMEW-BKMJKUGQSA-N 0 0 446.503 5.050 50 10 IKCARN COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000020075730 569333788 /nfs/dbraw/zinc/33/37/88/569333788.db2.gz NMOWPBVOABGDTE-MLPAPPSSSA-N 0 0 430.118 6.115 50 10 IKCARN N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000020238982 569357587 /nfs/dbraw/zinc/35/75/87/569357587.db2.gz BSOGVTKSDAXCBK-MJEQIIAOSA-N 0 0 448.529 5.027 50 10 IKCARN O=C1/C(=C/c2ccc(Sc3cccc4ccccc43)o2)SC(=S)N1c1ccccc1 ZINC000020238637 569357638 /nfs/dbraw/zinc/35/76/38/569357638.db2.gz ZDVGRVZBJORLMJ-QNGOZBTKSA-N 0 0 445.590 6.990 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1cccc(F)c1 ZINC000020324584 569360407 /nfs/dbraw/zinc/36/04/07/569360407.db2.gz BTDUYSGFPAQRSR-PDGQHHTCSA-N 0 0 427.547 6.117 50 10 IKCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c1 ZINC000080324587 569362262 /nfs/dbraw/zinc/36/22/62/569362262.db2.gz FLILAMIIHKBRPE-OHUGHZGNSA-N 0 0 434.536 5.761 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C2=N)S1 ZINC000080348118 569363210 /nfs/dbraw/zinc/36/32/10/569363210.db2.gz TZFSSCGYYQCYEZ-HRIUQOHOSA-N 0 0 425.945 5.085 50 10 IKCARN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000080348243 569363223 /nfs/dbraw/zinc/36/32/23/569363223.db2.gz ZZFVIIDDQLGXSR-ZBYPTGCXSA-N 0 0 437.613 5.512 50 10 IKCARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCc3ccccc32)c2ccccc21 ZINC000020438995 569365515 /nfs/dbraw/zinc/36/55/15/569365515.db2.gz ARRCLPOZOJJDDM-BWAHOGKJSA-N 0 0 449.554 5.330 50 10 IKCARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(N(C)C)cc2)cc1C(F)(F)F ZINC000096203751 569386302 /nfs/dbraw/zinc/38/63/02/569386302.db2.gz CDPCBTBMWYDKSO-JOCHJYFZSA-N 0 0 427.470 5.127 50 10 IKCARN O=C1/C(=C/c2cccs2)C(=O)N(c2cccc3ccccc32)C(=S)N1c1ccccc1 ZINC000096562401 569401155 /nfs/dbraw/zinc/40/11/55/569401155.db2.gz GHRZRZGKGMCLGD-PGMHBOJBSA-N 0 0 440.549 5.650 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000096568977 569401485 /nfs/dbraw/zinc/40/14/85/569401485.db2.gz VPPQBXVBBOJKLB-CIAFOILYSA-N 0 0 440.927 6.123 50 10 IKCARN O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)[C@]1(Br)c1ccccc1 ZINC000096592555 569401840 /nfs/dbraw/zinc/40/18/40/569401840.db2.gz CVNXDEAERHKRMP-VWLOTQADSA-N 0 0 427.297 6.176 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000002488550 569405174 /nfs/dbraw/zinc/40/51/74/569405174.db2.gz IBIOMFGDGXSFOT-PPJWLVRDSA-N 0 0 446.572 5.631 50 10 IKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cc(Cl)cc(Cl)c2)C(=O)C1 ZINC000002512804 569407092 /nfs/dbraw/zinc/40/70/92/569407092.db2.gz MOZHDJQSAFGFOJ-GFCCVEGCSA-N 0 0 449.175 6.979 50 10 IKCARN CC1(C)Cc2c(cc(-c3cccc(Br)c3)n2-c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000002512863 569407171 /nfs/dbraw/zinc/40/71/71/569407171.db2.gz FTVHANYCMJABLG-UHFFFAOYSA-N 0 0 439.309 5.970 50 10 IKCARN CC(=O)c1cccc(-n2c(-c3cccc(Br)c3)cc3c2CC(C)(C)CC3=O)c1 ZINC000002512859 569407172 /nfs/dbraw/zinc/40/71/72/569407172.db2.gz TWQWAHYQMPAOGK-UHFFFAOYSA-N 0 0 436.349 6.265 50 10 IKCARN CC1(C)Cc2c(cc(-c3cccc(Br)c3)n2-c2cc(F)cc(F)c2)C(=O)C1 ZINC000002512860 569407230 /nfs/dbraw/zinc/40/72/30/569407230.db2.gz VNXANQPVGXHJAR-UHFFFAOYSA-N 0 0 430.292 6.340 50 10 IKCARN CC1(C)Cc2c(cc(-c3cccc(Br)c3)n2-c2ccc(F)c(F)c2)C(=O)C1 ZINC000002512758 569407231 /nfs/dbraw/zinc/40/72/31/569407231.db2.gz WLUOZISEMIKJQH-UHFFFAOYSA-N 0 0 430.292 6.340 50 10 IKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(C(N)=O)cc2)C(=O)C1 ZINC000002582373 569410053 /nfs/dbraw/zinc/41/00/53/569410053.db2.gz XMXKGQQKVAWIPX-UHFFFAOYSA-N 0 0 437.337 5.161 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc3ccccn32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002644345 569413976 /nfs/dbraw/zinc/41/39/76/569413976.db2.gz NRCKNAAPFMXULJ-OAHLLOKOSA-N 0 0 442.491 5.102 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000002666248 569416533 /nfs/dbraw/zinc/41/65/33/569416533.db2.gz FIQZJFNKDJRREJ-HOTGVXAUSA-N 0 0 448.588 6.101 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1ccccc1F ZINC000002679293 569416772 /nfs/dbraw/zinc/41/67/72/569416772.db2.gz ZXMBMTLQNFDELO-UHFFFAOYSA-N 0 0 425.554 5.830 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc21)CC(C)C ZINC000002726690 569418716 /nfs/dbraw/zinc/41/87/16/569418716.db2.gz FOYMDGCVLKGUMB-UHFFFAOYSA-N 0 0 447.531 5.386 50 10 biogenic IKCARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1cccc(Cl)c1 ZINC000002756651 569420437 /nfs/dbraw/zinc/42/04/37/569420437.db2.gz BKDGXLKBVXMCBX-OVCLIPMQSA-N 0 0 439.787 5.373 50 10 IKCARN O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccc(F)cc1 ZINC000002822003 569423116 /nfs/dbraw/zinc/42/31/16/569423116.db2.gz BJDDDOZABURSFD-STZFKDTASA-N 0 0 449.528 5.446 50 10 IKCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000002828075 569423152 /nfs/dbraw/zinc/42/31/52/569423152.db2.gz NOLQGUIORDZDLQ-NWSLSDTJSA-N 0 0 446.919 5.576 50 10 IKCARN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000002873535 569423961 /nfs/dbraw/zinc/42/39/61/569423961.db2.gz GOKHBAHBEIIDIK-VGOFMYFVSA-N 0 0 449.684 5.018 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3ccc(N(C)C)cc3)sc3c2CCCC3)cc1 ZINC000002909456 569424683 /nfs/dbraw/zinc/42/46/83/569424683.db2.gz HBOPOTKSWKPHSE-UHFFFAOYSA-N 0 0 435.593 5.566 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cc(C)cc(C)c2)SC1=S ZINC000002977027 569433619 /nfs/dbraw/zinc/43/36/19/569433619.db2.gz FWPWONBDZYBZAE-MOSHPQCFSA-N 0 0 448.009 5.636 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Cl)c(C)c3)cc2)SC1=S ZINC000002977527 569433632 /nfs/dbraw/zinc/43/36/32/569433632.db2.gz MZGGAOKAHDWVGO-UYRXBGFRSA-N 0 0 433.982 5.327 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1CCc1ccccc1 ZINC000002984398 569434350 /nfs/dbraw/zinc/43/43/50/569434350.db2.gz GPVZKCKADYRUMF-KQWNVCNZSA-N 0 0 449.572 5.849 50 10 IKCARN Cc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002988119 569434386 /nfs/dbraw/zinc/43/43/86/569434386.db2.gz WJWFVMASYOEAGT-CIAFOILYSA-N 0 0 449.557 5.717 50 10 IKCARN O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000003003867 569435187 /nfs/dbraw/zinc/43/51/87/569435187.db2.gz GWDJHCQYQZRGPM-ATVHPVEESA-N 0 0 429.975 6.490 50 10 IKCARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486890 569440223 /nfs/dbraw/zinc/44/02/23/569440223.db2.gz LPDDLBIBEDCDEM-PGRDOPGGSA-N 0 0 426.925 5.748 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000058054453 569446233 /nfs/dbraw/zinc/44/62/33/569446233.db2.gz BUUNDDNUURCDHV-UHFFFAOYSA-N 0 0 444.362 5.420 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccsc2)N1 ZINC000058083465 569446851 /nfs/dbraw/zinc/44/68/51/569446851.db2.gz BQIOANBRHPLXOB-AZUAARDMSA-N 0 0 447.785 6.092 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3cccs3)N2)c1O ZINC000058083297 569446863 /nfs/dbraw/zinc/44/68/63/569446863.db2.gz KXGWTCMRQLGIFB-UTKZUKDTSA-N 0 0 443.366 5.447 50 10 IKCARN CCOc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000003352444 569447436 /nfs/dbraw/zinc/44/74/36/569447436.db2.gz SQURAXIHXRPWHK-UHFFFAOYSA-N 0 0 443.446 5.134 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003372981 569448552 /nfs/dbraw/zinc/44/85/52/569448552.db2.gz FECYTQHQYOPRKN-UHFFFAOYSA-N 0 0 435.373 5.013 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000003460958 569451921 /nfs/dbraw/zinc/45/19/21/569451921.db2.gz DIQMBIFGKOHCSX-WQRHYEAKSA-N 0 0 432.353 6.659 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000003585043 569454445 /nfs/dbraw/zinc/45/44/45/569454445.db2.gz XUQYRCQIOOOVTD-NVQXNPDNSA-N 0 0 449.708 6.935 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3)[C@H](C)CC)ccc21 ZINC000003585575 569454449 /nfs/dbraw/zinc/45/44/49/569454449.db2.gz OYPXJVYVFNAMME-LJQANCHMSA-N 0 0 444.088 6.890 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3)[C@@H](C)CC)ccc21 ZINC000003585115 569454476 /nfs/dbraw/zinc/45/44/76/569454476.db2.gz XQDCGDARVNHBFY-SFHVURJKSA-N 0 0 430.061 6.500 50 10 IKCARN O=C(COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1)Nc1ccc(Cl)cc1 ZINC000003641624 569455561 /nfs/dbraw/zinc/45/55/61/569455561.db2.gz FPWJHIDESUPDTC-UHFFFAOYSA-N 0 0 429.907 6.047 50 10 IKCARN COc1ccc(C(=O)c2coc3ccc([O-])c(C[N@H+](C)Cc4ccccc4)c23)cc1OC ZINC000218035400 569456087 /nfs/dbraw/zinc/45/60/87/569456087.db2.gz WFFBAQJTUZWJPU-UHFFFAOYSA-N 0 0 431.488 5.019 50 10 biogenic IKCARN Cc1ccc(C)c(NN=C2C=C(C(=O)Nc3ccccc3N(C)C)C(=O)c3ccccc32)c1 ZINC000004044753 569458390 /nfs/dbraw/zinc/45/83/90/569458390.db2.gz AWQDHCHKNLCGRL-QVIHXGFCSA-N 0 0 438.531 6.896 50 10 IKCARN COc1ccc(Cl)c2ccc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)nc12 ZINC000032051723 569459008 /nfs/dbraw/zinc/45/90/08/569459008.db2.gz DXAQEKUPXSVYGD-RQZCQDPDSA-N 0 0 428.922 5.008 50 10 IKCARN COc1ccccc1NC(=O)C1=CC(=NNc2ccc(O)cc2Cl)c2ccccc2C1=O ZINC000004113469 569459548 /nfs/dbraw/zinc/45/95/48/569459548.db2.gz RSXACMDOZZIWDW-BYYHNAKLSA-N 0 0 447.878 6.581 50 10 IKCARN COc1ccc(Br)cc1[C@@H]1Nc2c(OC)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 ZINC000004199914 569460959 /nfs/dbraw/zinc/46/09/59/569460959.db2.gz JEBCZXMFVXGEIS-BIENJYKASA-N 0 0 431.286 5.201 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc([C@@H]3Nc4ccc5ccccc5c4[C@H]4C=CC[C@@H]43)c2)cc1 ZINC000008396790 569463279 /nfs/dbraw/zinc/46/32/79/569463279.db2.gz QLOPSLVVXLHZEG-ZEZDXWPOSA-N 0 0 430.551 7.227 50 10 IKCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000008430335 569464230 /nfs/dbraw/zinc/46/42/30/569464230.db2.gz VXURGPPVMYFNOO-CPNJWEJPSA-N 0 0 434.337 5.938 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=N)S1 ZINC000008453023 569465079 /nfs/dbraw/zinc/46/50/79/569465079.db2.gz VRPRMNSCIAVPIC-OQYABBNDSA-N 0 0 448.548 5.084 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000008453476 569465084 /nfs/dbraw/zinc/46/50/84/569465084.db2.gz ZLDAHPXUGYLZLW-SMTYPRMSSA-N 0 0 441.560 5.523 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)cc1C ZINC000008589991 569469215 /nfs/dbraw/zinc/46/92/15/569469215.db2.gz SHAOQNRSKRYIJH-PLXFJCCSSA-N 0 0 448.563 6.070 50 10 IKCARN Oc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@](O)(C(F)(F)F)C1 ZINC000008711388 569470999 /nfs/dbraw/zinc/47/09/99/569470999.db2.gz MHQQUTDABPLFII-GOSISDBHSA-N 0 0 439.846 5.034 50 10 IKCARN CC(=O)N(/C=C/C=C/C=C1\SC(=S)N(CCc2ccccc2)C1=O)c1ccc(C)cc1 ZINC000008722086 569471752 /nfs/dbraw/zinc/47/17/52/569471752.db2.gz USEGQYVHHZLDQU-YQXVVQJFSA-N 0 0 448.613 5.405 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000008763469 569474412 /nfs/dbraw/zinc/47/44/12/569474412.db2.gz ACAOGFHQTIJNKN-MTPWMXCOSA-N 0 0 444.581 5.626 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008872541 569480914 /nfs/dbraw/zinc/48/09/14/569480914.db2.gz RZMQMXVDUGDQLT-ZXOFLVKFSA-N 0 0 425.962 6.562 50 10 IKCARN CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1OC ZINC000008896020 569483870 /nfs/dbraw/zinc/48/38/70/569483870.db2.gz PRULTHQJMVFROH-AVYPCKFXSA-N 0 0 445.313 5.591 50 10 IKCARN COc1cccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)c1 ZINC000008911565 569484883 /nfs/dbraw/zinc/48/48/83/569484883.db2.gz BDNQAQNREICDES-UHFFFAOYSA-N 0 0 436.555 5.962 50 10 IKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000008919852 569486439 /nfs/dbraw/zinc/48/64/39/569486439.db2.gz DNRNWSQLRCAIST-WYRIXSBYSA-N 0 0 434.989 6.086 50 10 IKCARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)o1 ZINC000008965969 569491633 /nfs/dbraw/zinc/49/16/33/569491633.db2.gz NNPUCVSIVDOQHB-QGZVFWFLSA-N 0 0 433.533 5.516 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1 ZINC000008997589 569495846 /nfs/dbraw/zinc/49/58/46/569495846.db2.gz ZUKXWJVDBBDCBW-FBIWUZAXSA-N 0 0 449.605 5.043 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(C[N@@H+]2CCCC(C)(C)C2)c1[O-] ZINC000009073647 569500154 /nfs/dbraw/zinc/50/01/54/569500154.db2.gz GSAOMYVJVXLGGW-UHFFFAOYSA-N 0 0 431.536 5.226 50 10 IKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1sc2cc(F)ccc2c1Cl ZINC000009096769 569501463 /nfs/dbraw/zinc/50/14/63/569501463.db2.gz IUZXVTNYILDOQF-UHFFFAOYSA-N 0 0 435.863 5.722 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@H]3CCCC[C@H]3C)ccc21 ZINC000245343369 569504500 /nfs/dbraw/zinc/50/45/00/569504500.db2.gz NAPNZTLRZRUBMT-GJZUVCINSA-N 0 0 449.708 6.935 50 10 IKCARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000009159463 569508607 /nfs/dbraw/zinc/50/86/07/569508607.db2.gz JTCVDNFSZVKVGA-PMEYMNTDSA-N 0 0 448.522 5.945 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009161293 569508712 /nfs/dbraw/zinc/50/87/12/569508712.db2.gz MVIIBGIZCZPPJB-QUYJEORZSA-N 0 0 425.945 5.023 50 10 IKCARN CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000009187024 569510247 /nfs/dbraw/zinc/51/02/47/569510247.db2.gz NAOSFIJCENZZLF-RCCKNPSSSA-N 0 0 448.569 5.175 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C2=N)S1 ZINC000009191916 569510695 /nfs/dbraw/zinc/51/06/95/569510695.db2.gz XRZGKZUNAFZCKQ-FTNSYOLJSA-N 0 0 449.580 5.302 50 10 IKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(Cc4cccc5ccccc54)c4ccccc34)C2=N)S1 ZINC000009192013 569510704 /nfs/dbraw/zinc/51/07/04/569510704.db2.gz ARLADEVHVBVSQP-FSDAICMFSA-N 0 0 448.551 6.010 50 10 IKCARN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 ZINC000009193122 569510815 /nfs/dbraw/zinc/51/08/15/569510815.db2.gz KOSOUIMHJOUMRJ-RTTMPKPESA-N 0 0 447.608 5.883 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000009193648 569510899 /nfs/dbraw/zinc/51/08/99/569510899.db2.gz FDPOXDUIOHZXDM-HGSFKZCZSA-N 0 0 425.945 5.023 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000009228717 569513646 /nfs/dbraw/zinc/51/36/46/569513646.db2.gz OLCAKXXHCHPVJI-UHFFFAOYSA-N 0 0 430.321 5.626 50 10 IKCARN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000009233004 569513871 /nfs/dbraw/zinc/51/38/71/569513871.db2.gz PJIDYQRAUUZFAN-RIYZIHGNSA-N 0 0 445.190 6.162 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000009233439 569513823 /nfs/dbraw/zinc/51/38/23/569513823.db2.gz IXQDCYPLUYMDPH-SMKDVUIYSA-N 0 0 439.544 5.070 50 10 IKCARN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000009233023 569513842 /nfs/dbraw/zinc/51/38/42/569513842.db2.gz PZSXTEXZAFGZFD-KGENOOAVSA-N 0 0 427.591 5.897 50 10 IKCARN O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1c1cccc(Cl)c1 ZINC000009235913 569514049 /nfs/dbraw/zinc/51/40/49/569514049.db2.gz MFQVQCLKNBRCSR-ZTJWTMSASA-N 0 0 436.783 6.025 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000009281319 569518533 /nfs/dbraw/zinc/51/85/33/569518533.db2.gz PSRZHDYRLDBLRY-HSJXSQSUSA-N 0 0 443.985 5.077 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000009290983 569519798 /nfs/dbraw/zinc/51/97/98/569519798.db2.gz HOIJQIDRIPRLCT-HTYYESGYSA-N 0 0 425.945 5.023 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009291270 569519802 /nfs/dbraw/zinc/51/98/02/569519802.db2.gz OSBAXHDCALOPJW-JNTYBJLZSA-N 0 0 449.923 5.008 50 10 IKCARN CCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000009291269 569519822 /nfs/dbraw/zinc/51/98/22/569519822.db2.gz QFCVFDOCAVYLIF-NCNWTYLVSA-N 0 0 433.581 5.684 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009293319 569520217 /nfs/dbraw/zinc/52/02/17/569520217.db2.gz SYTCIKQGFXBZER-BYOKLEKTSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000009293534 569520231 /nfs/dbraw/zinc/52/02/31/569520231.db2.gz HZSSYSHUUQNDOU-CWPMWFGSSA-N 0 0 432.336 5.040 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000009293376 569520246 /nfs/dbraw/zinc/52/02/46/569520246.db2.gz WHLHVDFHFXSGGG-RLPJPJOASA-N 0 0 433.581 5.520 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000009293578 569520281 /nfs/dbraw/zinc/52/02/81/569520281.db2.gz WRTDUTXRISMHDT-KHCNQNERSA-N 0 0 437.544 5.433 50 10 IKCARN CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000009295805 569520418 /nfs/dbraw/zinc/52/04/18/569520418.db2.gz DBUZSBVPSBTEHP-HMAPJEAMSA-N 0 0 436.964 6.551 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccccc1 ZINC000009296536 569520452 /nfs/dbraw/zinc/52/04/52/569520452.db2.gz SAFOZKHITHYXCI-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN O=C1/C(=C\c2cc(Br)c(Br)o2)SC(=S)N1c1ccccc1 ZINC000009296535 569520473 /nfs/dbraw/zinc/52/04/73/569520473.db2.gz JOIGMIFRGQIXGR-YRNVUSSQSA-N 0 0 445.157 5.210 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000009296522 569520485 /nfs/dbraw/zinc/52/04/85/569520485.db2.gz UAELGJJBEYXOAV-GZTJUZNOSA-N 0 0 438.401 6.787 50 10 IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000009310037 569521723 /nfs/dbraw/zinc/52/17/23/569521723.db2.gz WIEOQCWWMSXJOM-SFQUDFHCSA-N 0 0 437.282 6.373 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C2=N)S1 ZINC000009348770 569524575 /nfs/dbraw/zinc/52/45/75/569524575.db2.gz DKOXVWBJUMXCFF-CSFJQTNCSA-N 0 0 448.548 5.254 50 10 IKCARN COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(C[N@H+](C)Cc4ccccc4)c3oc2=O)c1 ZINC000009356680 569525518 /nfs/dbraw/zinc/52/55/18/569525518.db2.gz IDRGADRMBKXQMV-UHFFFAOYSA-N 0 0 445.515 5.123 50 10 biogenic IKCARN COc1ccccc1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406126 569529955 /nfs/dbraw/zinc/52/99/55/569529955.db2.gz KWAFGVOJEWEVHL-UHFFFAOYSA-N 0 0 436.555 5.962 50 10 IKCARN O=C(NCCCc1ccccc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406122 569529992 /nfs/dbraw/zinc/52/99/92/569529992.db2.gz UOTWXGGAKZMQDR-UHFFFAOYSA-N 0 0 434.583 6.386 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 ZINC000009406196 569530031 /nfs/dbraw/zinc/53/00/31/569530031.db2.gz DEDVEGJKSHATMP-JOCHJYFZSA-N 0 0 438.615 6.889 50 10 IKCARN CCCCOC(=O)c1sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2c1N ZINC000009420171 569532578 /nfs/dbraw/zinc/53/25/78/569532578.db2.gz YGCREIQCMDDQFM-UHFFFAOYSA-N 0 0 428.457 5.147 50 10 IKCARN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4sc5ccccc5c4c3)[nH]2)cc1O ZINC000009434181 569534681 /nfs/dbraw/zinc/53/46/81/569534681.db2.gz MGTJTRVYGLVRGM-UHFFFAOYSA-N 0 0 434.520 7.190 50 10 IKCARN CCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1 ZINC000009501611 569541602 /nfs/dbraw/zinc/54/16/02/569541602.db2.gz JIRUMLIKAJERCT-DHPBROCDSA-N 0 0 447.608 5.743 50 10 IKCARN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 ZINC000009529650 569544871 /nfs/dbraw/zinc/54/48/71/569544871.db2.gz FYQULUFWRYITMS-DEOSSOPVSA-N 0 0 434.971 5.332 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000009541620 569545896 /nfs/dbraw/zinc/54/58/96/569545896.db2.gz YJQWNAWIZLAILH-LADGPHEKSA-N 0 0 435.365 5.940 50 10 IKCARN CCc1ccc(C2=N[C@@](C)(CC(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000009542101 569545921 /nfs/dbraw/zinc/54/59/21/569545921.db2.gz ZSAPBFNUIQHESP-JTHBVZDNSA-N 0 0 429.402 6.003 50 10 IKCARN O=C1/C(=C\c2ccc3c(c2)OCO3)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000009553816 569546714 /nfs/dbraw/zinc/54/67/14/569546714.db2.gz ZSIVTCVLIIINDV-NDENLUEZSA-N 0 0 448.931 5.647 50 10 IKCARN COc1ccc(C2(Nc3ccc(Br)c(C)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000009561383 569547114 /nfs/dbraw/zinc/54/71/14/569547114.db2.gz LPCKOXQQQDJEDB-UHFFFAOYSA-N 0 0 436.305 5.153 50 10 IKCARN CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000009600884 569551570 /nfs/dbraw/zinc/55/15/70/569551570.db2.gz SZTXVDPMMIVKNV-HWBMXIPRSA-N 0 0 443.930 6.323 50 10 IKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000009610925 569552661 /nfs/dbraw/zinc/55/26/61/569552661.db2.gz MLQFKTFTPOQPCF-UHFFFAOYSA-N 0 0 428.757 6.715 50 10 IKCARN O=C(NN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S)c1ccccc1 ZINC000009698896 569561255 /nfs/dbraw/zinc/56/12/55/569561255.db2.gz JSAKOWKMIPNSBF-JCMHNJIXSA-N 0 0 440.549 5.539 50 10 IKCARN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 ZINC000009779817 569567431 /nfs/dbraw/zinc/56/74/31/569567431.db2.gz ASDDNIJNZQSHPQ-UHFFFAOYSA-N 0 0 445.519 5.611 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000009845878 569570958 /nfs/dbraw/zinc/57/09/58/569570958.db2.gz YUGYZVLHWYWXOI-WQRHYEAKSA-N 0 0 430.331 5.878 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1 ZINC000009934510 569573763 /nfs/dbraw/zinc/57/37/63/569573763.db2.gz LLPVZZSFFZCEOD-XDJHFCHBSA-N 0 0 432.317 5.929 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccc(C)cc1C ZINC000009957730 569574805 /nfs/dbraw/zinc/57/48/05/569574805.db2.gz JBVKXDZXUBHAJK-KGENOOAVSA-N 0 0 443.590 5.039 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000009968534 569575888 /nfs/dbraw/zinc/57/58/88/569575888.db2.gz NHXADBBAVOJIAK-CAKYRVLISA-N 0 0 435.954 7.551 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000009971784 569576318 /nfs/dbraw/zinc/57/63/18/569576318.db2.gz VFQGMSDMQUARJT-QCUKBLKESA-N 0 0 425.604 5.601 50 10 IKCARN O=C(c1ccncc1)N1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)SC1=S ZINC000032256684 569583948 /nfs/dbraw/zinc/58/39/48/569583948.db2.gz FEJAINNNRJLEJR-KGENOOAVSA-N 0 0 426.522 5.430 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCc1ccccc1 ZINC000006142583 193882447 /nfs/dbraw/zinc/88/24/47/193882447.db2.gz CSHJWYHMQNLCFZ-XSFVSMFZSA-N 0 0 436.514 5.299 50 10 IKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000006135916 193881068 /nfs/dbraw/zinc/88/10/68/193881068.db2.gz DMXOQHWJPHAHJT-UKILVPOCSA-N 0 0 433.939 5.657 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364135 193927930 /nfs/dbraw/zinc/92/79/30/193927930.db2.gz QQZOYEFPKOLNDN-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN CCc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364743 193928397 /nfs/dbraw/zinc/92/83/97/193928397.db2.gz HNLRLWZOJZIQBX-VWNXMTODSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5cccc(C)c5)CC4)=NC3=O)o2)cc1 ZINC000001801537 132246739 /nfs/dbraw/zinc/24/67/39/132246739.db2.gz SFSSUGIQXNNHMX-JJIBRWJFSA-N 0 0 443.572 5.356 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(Cl)cc1)cc3N1CCCCC1 ZINC000002063825 132247752 /nfs/dbraw/zinc/24/77/52/132247752.db2.gz VKZOUSGIRHKNEF-UHFFFAOYSA-N 0 0 429.907 6.427 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3N(C)C(C)(C)C2=S)S1 ZINC000002181991 132248552 /nfs/dbraw/zinc/24/85/52/132248552.db2.gz BKZXGYQIQNJGRG-XLNRJJMWSA-N 0 0 439.627 5.975 50 10 IKCARN Cc1ccc(Nc2cc(N3CCCC(C)(C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002307218 132251828 /nfs/dbraw/zinc/25/18/28/132251828.db2.gz QTCGKLDKGRDZSI-UHFFFAOYSA-N 0 0 437.543 6.718 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 ZINC000002335739 132252481 /nfs/dbraw/zinc/25/24/81/132252481.db2.gz WATPEKBZPWEWEB-UHFFFAOYSA-N 0 0 435.351 5.890 50 10 IKCARN Cc1ccccc1Nc1cc(N2CCCC(C)(C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002377821 132253296 /nfs/dbraw/zinc/25/32/96/132253296.db2.gz XXFFWYLXPOWBGU-UHFFFAOYSA-N 0 0 437.543 6.718 50 10 IKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccccc1Cl ZINC000002397160 132253783 /nfs/dbraw/zinc/25/37/83/132253783.db2.gz QDXBZEHKIIYJNP-JWGURIENSA-N 0 0 433.964 5.286 50 10 IKCARN CCOc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000002532804 132255051 /nfs/dbraw/zinc/25/50/51/132255051.db2.gz ILSYIYXOQRXJNH-UHFFFAOYSA-N 0 0 440.499 5.286 50 10 IKCARN CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002532813 132255137 /nfs/dbraw/zinc/25/51/37/132255137.db2.gz INJVADWXBSUTNG-UHFFFAOYSA-N 0 0 440.499 5.286 50 10 IKCARN CCN1CCCc2cc(CN(C(=S)Nc3c(C)cc(C)cc3C)C3CCCC3)ccc21 ZINC000003057285 132261301 /nfs/dbraw/zinc/26/13/01/132261301.db2.gz VFXAMXHPBZAEPW-UHFFFAOYSA-N 0 0 435.681 6.526 50 10 IKCARN CCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(Cl)c3)C3CCCC3)ccc21 ZINC000003057272 132261321 /nfs/dbraw/zinc/26/13/21/132261321.db2.gz DRRSBIISCHLKCO-UHFFFAOYSA-N 0 0 442.072 6.563 50 10 IKCARN CCCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccc(C)cc3)ccc21 ZINC000003586339 132266422 /nfs/dbraw/zinc/26/64/22/132266422.db2.gz BPXOMPWIZJJAJT-UHFFFAOYSA-N 0 0 439.669 5.783 50 10 IKCARN CCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000003586089 132266425 /nfs/dbraw/zinc/26/64/25/132266425.db2.gz KPWJNOMAFOELKZ-UHFFFAOYSA-N 0 0 446.060 5.656 50 10 IKCARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(C)C)cc3)cc12 ZINC000003648839 132266894 /nfs/dbraw/zinc/26/68/94/132266894.db2.gz DTXNNTFDILNQBK-NTEUORMPSA-N 0 0 429.564 5.973 50 10 IKCARN C[C@@H]1CCCCN1c1cc(Nc2ccc(F)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000003741761 132267697 /nfs/dbraw/zinc/26/76/97/132267697.db2.gz OJECPOPOXUMILO-OAHLLOKOSA-N 0 0 427.479 6.301 50 10 IKCARN CC1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741810 132267921 /nfs/dbraw/zinc/26/79/21/132267921.db2.gz GBYUYNGOESUYSX-UHFFFAOYSA-N 0 0 427.479 6.158 50 10 IKCARN C[C@@H]1CCCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741783 132267937 /nfs/dbraw/zinc/26/79/37/132267937.db2.gz BGWGYKFRYZYLKX-OAHLLOKOSA-N 0 0 427.479 6.158 50 10 IKCARN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1OC ZINC000004757625 132273428 /nfs/dbraw/zinc/27/34/28/132273428.db2.gz FNTDVQZPMAEDJV-UXBLZVDNSA-N 0 0 445.563 5.449 50 10 IKCARN Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000006154212 132276328 /nfs/dbraw/zinc/27/63/28/132276328.db2.gz DNDQEZSOXMZIBM-RUZDIDTESA-N 0 0 444.966 5.209 50 10 IKCARN Clc1cccc([C@H]2[C@@H]3CC=C[C@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1Cl ZINC000006475248 132277358 /nfs/dbraw/zinc/27/73/58/132277358.db2.gz OOLWDDHOESJTDM-NDJBCPNASA-N 0 0 444.405 8.041 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 ZINC000006444760 132277362 /nfs/dbraw/zinc/27/73/62/132277362.db2.gz JMZLFTVBMPZFSD-YXYSEUPNSA-N 0 0 445.946 5.533 50 10 IKCARN C[C@H]1C[C@H](C)CN(c2cc(NC3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737920 132278448 /nfs/dbraw/zinc/27/84/48/132278448.db2.gz WNBZVTLASJAQQI-IRXDYDNUSA-N 0 0 429.564 6.266 50 10 IKCARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008442929 132282100 /nfs/dbraw/zinc/28/21/00/132282100.db2.gz KLEGHMQRXNNOKF-UNOMPAQXSA-N 0 0 438.915 5.353 50 10 IKCARN CN(C)c1ccc([C@@H]2n3c4ccccc4nc3-c3ccccc3N2Cc2ccccc2)cc1 ZINC000008738746 132292463 /nfs/dbraw/zinc/29/24/63/132292463.db2.gz WCJVBQXJIKSILO-LJAQVGFWSA-N 0 0 430.555 6.336 50 10 IKCARN Cc1cccc(Nc2cc(N3CCCC(C)(C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000008969154 132298948 /nfs/dbraw/zinc/29/89/48/132298948.db2.gz BJJBNRAQMINIST-UHFFFAOYSA-N 0 0 437.543 6.718 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612324 132323565 /nfs/dbraw/zinc/32/35/65/132323565.db2.gz GETYVTCLHBTPDM-QGZVFWFLSA-N 0 0 437.543 6.636 50 10 IKCARN C=CNc1cc(Oc2ccc(Br)cc2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000012363732 519294639 /nfs/dbraw/zinc/29/46/39/519294639.db2.gz HLBHUOOHAOQSDC-UHFFFAOYSA-N 0 0 433.261 6.149 50 10 IKCARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033265477 519711236 /nfs/dbraw/zinc/71/12/36/519711236.db2.gz VMXYFPYMNABTSL-DEOSSOPVSA-N 0 0 448.636 5.507 50 10 IKCARN CC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccc(Br)cc1 ZINC000012379979 519758733 /nfs/dbraw/zinc/75/87/33/519758733.db2.gz NKIYYOVFMXYALU-UHFFFAOYSA-N 0 0 443.300 6.291 50 10 IKCARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000001869231 519776685 /nfs/dbraw/zinc/77/66/85/519776685.db2.gz FCWHJPRBOKFDHS-OAQYLSRUSA-N 0 0 435.461 5.815 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[C@@]21C ZINC000033680487 519840542 /nfs/dbraw/zinc/84/05/42/519840542.db2.gz ZBMNCDSLPYJJTF-PVHODMMVSA-N 0 0 436.596 6.224 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000020731271 519854620 /nfs/dbraw/zinc/85/46/20/519854620.db2.gz NAPNZTLRZRUBMT-NVQXNPDNSA-N 0 0 449.708 6.935 50 10 IKCARN CCCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S ZINC000012870187 520556292 /nfs/dbraw/zinc/55/62/92/520556292.db2.gz IPIGEQOBDJULQD-WOJGMQOQSA-N 0 0 445.635 5.446 50 10 IKCARN CCOc1cc(/C=C2\C=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000015016352 520628782 /nfs/dbraw/zinc/62/87/82/520628782.db2.gz JAEBVGKDOLRRIK-FYJGNVAPSA-N 0 0 432.903 6.299 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000033406138 520880579 /nfs/dbraw/zinc/88/05/79/520880579.db2.gz GVFZCKAOOZEOAR-NDENLUEZSA-N 0 0 445.972 5.301 50 10 IKCARN CCN(CC)c1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000016156310 520880886 /nfs/dbraw/zinc/88/08/86/520880886.db2.gz VIKXKYSHVVZEJE-LGUFXXKBSA-N 0 0 441.575 5.559 50 10 IKCARN CCN(CC)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012490896 520889604 /nfs/dbraw/zinc/88/96/04/520889604.db2.gz JVHQNHYDIKOKHI-UHFFFAOYSA-N 0 0 441.625 7.341 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020763305 520931944 /nfs/dbraw/zinc/93/19/44/520931944.db2.gz HVTQCFUPOBJVPA-BVAGGSTKSA-N 0 0 434.511 5.551 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763270 520932161 /nfs/dbraw/zinc/93/21/61/520932161.db2.gz QJCVTACPCDMFHR-LADGPHEKSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763275 520932668 /nfs/dbraw/zinc/93/26/68/520932668.db2.gz QJCVTACPCDMFHR-UPVQGACJSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(OC)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764285 520932788 /nfs/dbraw/zinc/93/27/88/520932788.db2.gz FREPQAWVAVPJEE-SQHAQQRYSA-N 0 0 446.547 5.421 50 10 IKCARN CCN(Cc1ccccc1)c1ccc(/C=C/c2nc3cc(OC)c(SC)cc3s2)cc1 ZINC000012575704 521374210 /nfs/dbraw/zinc/37/42/10/521374210.db2.gz ZVZTZCDVJLTIDX-NTCAYCPXSA-N 0 0 446.641 7.224 50 10 IKCARN CCCc1ccc(C(=O)C[C@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000864599 521388091 /nfs/dbraw/zinc/38/80/91/521388091.db2.gz OHFKFWICULLBAT-HSZRJFAPSA-N 0 0 430.931 6.053 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)[NH+]1CCOCC1)c([O-])c1ccccc21 ZINC000021539882 521402346 /nfs/dbraw/zinc/40/23/46/521402346.db2.gz CYCUGYXZROHKEM-DEOSSOPVSA-N 0 0 445.515 5.198 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000020762953 521416155 /nfs/dbraw/zinc/41/61/55/521416155.db2.gz KAGMOKBFEVDSPA-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000020764188 521416166 /nfs/dbraw/zinc/41/61/66/521416166.db2.gz VKGASSBBCQJPBJ-SQJMNOBHSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000020763100 521416418 /nfs/dbraw/zinc/41/64/18/521416418.db2.gz IXCYDBSALXCUAM-NVQXNPDNSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](CC(C)C)N2)c1O ZINC000020763196 521425388 /nfs/dbraw/zinc/42/53/88/521425388.db2.gz IFPMQVSRTYMYCT-CTNGQTDRSA-N 0 0 431.374 5.449 50 10 IKCARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=N)N12 ZINC000032945416 521695195 /nfs/dbraw/zinc/69/51/95/521695195.db2.gz BVHVJRVPECVEJA-XCGHDDSDSA-N 0 0 430.942 5.238 50 10 IKCARN COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033333397 521958152 /nfs/dbraw/zinc/95/81/52/521958152.db2.gz LVPZLTCMOHQMRF-GMFWLFBISA-N 0 0 439.924 5.095 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000002668049 521972059 /nfs/dbraw/zinc/97/20/59/521972059.db2.gz KFEUBCIDYJIJKB-ODLFYWEKSA-N 0 0 433.982 5.537 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000034869015 521976868 /nfs/dbraw/zinc/97/68/68/521976868.db2.gz HAHUUTRVSNMCRN-HAHDFKILSA-N 0 0 447.581 5.988 50 10 IKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021891824 522247502 /nfs/dbraw/zinc/24/75/02/522247502.db2.gz DOOOZKHQVWTFCN-AREMUKBSSA-N 0 0 440.522 5.820 50 10 IKCARN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000012628441 522929512 /nfs/dbraw/zinc/92/95/12/522929512.db2.gz NUDPKGCOKVZIDG-VFVRVIDISA-N 0 0 431.286 5.201 50 10 IKCARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3-n3c(C)ccc3C)c2cc1OC ZINC000012462467 523061632 /nfs/dbraw/zinc/06/16/32/523061632.db2.gz FEPVWASBDHGQJJ-UHFFFAOYSA-N 0 0 432.520 5.268 50 10 IKCARN COc1ccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4C)cc3C)no2)cc1 ZINC000020896735 523099942 /nfs/dbraw/zinc/09/99/42/523099942.db2.gz MNAGYQXIKQWHPD-BYYHNAKLSA-N 0 0 426.476 6.635 50 10 IKCARN COc1ccc(-c2ccc(CCC(=O)N3CCC(C)CC3)n2-c2ccc(SC)cc2)cc1 ZINC000023427481 523132169 /nfs/dbraw/zinc/13/21/69/523132169.db2.gz LWSGNYVHQLRKIT-UHFFFAOYSA-N 0 0 448.632 6.066 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012569637 523263601 /nfs/dbraw/zinc/26/36/01/523263601.db2.gz BRRUWXVIAKVPLJ-UHFFFAOYSA-N 0 0 444.604 5.274 50 10 IKCARN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)ccc21 ZINC000035268935 523273841 /nfs/dbraw/zinc/27/38/41/523273841.db2.gz FYCPTSJMLQEHCA-UHFFFAOYSA-N 0 0 434.952 6.075 50 10 IKCARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)c2ccccc21 ZINC000020438784 523301713 /nfs/dbraw/zinc/30/17/13/523301713.db2.gz ZYZIFXGMPHPXME-MOHJPFBDSA-N 0 0 435.527 5.021 50 10 IKCARN CCn1nc(C)c(CN2CC[C@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c1C ZINC000012508874 523645065 /nfs/dbraw/zinc/64/50/65/523645065.db2.gz DDYPYMGIHJRTRZ-HSZRJFAPSA-N 0 0 443.563 6.050 50 10 IKCARN COc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000020755917 523725055 /nfs/dbraw/zinc/72/50/55/523725055.db2.gz PUSIUWDEWAXQNL-QFIPXVFZSA-N 0 0 448.906 5.130 50 10 biogenic IKCARN CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 ZINC000034378689 523866482 /nfs/dbraw/zinc/86/64/82/523866482.db2.gz ZTMMVYIGNQPLLY-MJBUPYINSA-N 0 0 433.581 5.322 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763086 523881077 /nfs/dbraw/zinc/88/10/77/523881077.db2.gz HUTPKVVZGOFERR-GMAHTHKFSA-N 0 0 427.331 5.930 50 10 IKCARN COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765243 523881267 /nfs/dbraw/zinc/88/12/67/523881267.db2.gz NKROSSWXTGVBLW-NZQKXSOJSA-N 0 0 445.321 6.069 50 10 IKCARN CCc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765025 523903513 /nfs/dbraw/zinc/90/35/13/523903513.db2.gz HNLRLWZOJZIQBX-UPVQGACJSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(N(C)C)cc4)n3)o2)c1 ZINC000035560858 524124406 /nfs/dbraw/zinc/12/44/06/524124406.db2.gz JPYHBNUXWOIYAT-UHFFFAOYSA-N 0 0 436.519 5.333 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)cc1 ZINC000012538175 524386716 /nfs/dbraw/zinc/38/67/16/524386716.db2.gz YYLOVHFBLBIMOQ-KGENOOAVSA-N 0 0 434.542 5.075 50 10 IKCARN Cc1cc(CN(C(=O)Nc2cc(C)ccc2C)C2CCCCC2)c(C)n1-c1ccccc1 ZINC000020579192 524644988 /nfs/dbraw/zinc/64/49/88/524644988.db2.gz ANAIZLKTHHICBV-UHFFFAOYSA-N 0 0 429.608 7.078 50 10 IKCARN COc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O ZINC000015857096 524671677 /nfs/dbraw/zinc/67/16/77/524671677.db2.gz DGGWVTKKKFXQRM-CPNJWEJPSA-N 0 0 449.981 5.028 50 10 IKCARN COc1ccccc1[C@@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2O)N1 ZINC000020763753 524760937 /nfs/dbraw/zinc/76/09/37/524760937.db2.gz UMSSTSXPSLGLKF-NFBKMPQASA-N 0 0 437.337 5.386 50 10 IKCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 ZINC000015799318 524919931 /nfs/dbraw/zinc/91/99/31/524919931.db2.gz UXLCMHBQTNGESC-ZDFMGPMUSA-N 0 0 436.455 5.045 50 10 IKCARN COc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000015857320 524949472 /nfs/dbraw/zinc/94/94/72/524949472.db2.gz VQTYZGYJOCRGIO-CPNJWEJPSA-N 0 0 449.981 5.028 50 10 IKCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000034722007 525059947 /nfs/dbraw/zinc/05/99/47/525059947.db2.gz NPWDHKIZZBQCPL-NDENLUEZSA-N 0 0 447.387 6.139 50 10 IKCARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000021891729 525251820 /nfs/dbraw/zinc/25/18/20/525251820.db2.gz GFQBOWNSPGWCJD-MHZLTWQESA-N 0 0 436.559 5.989 50 10 IKCARN C[C@@H](NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)c1ccccc1 ZINC000020902497 525320305 /nfs/dbraw/zinc/32/03/05/525320305.db2.gz WUPXLSGYZOMEFU-JOCHJYFZSA-N 0 0 434.583 6.904 50 10 IKCARN Cc1ccc(Nc2cc(NCc3ccccc3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012461666 525322046 /nfs/dbraw/zinc/32/20/46/525322046.db2.gz HGJFDBQZGSPLBF-UHFFFAOYSA-N 0 0 433.511 5.708 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1[nH]cnc1C ZINC000012246432 525570066 /nfs/dbraw/zinc/57/00/66/525570066.db2.gz SOOZCPZAOAZZKV-OAQYLSRUSA-N 0 0 443.956 5.353 50 10 IKCARN Cc1ccc(Sc2c(C(=O)Nc3ccccc3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012461910 525668396 /nfs/dbraw/zinc/66/83/96/525668396.db2.gz FQWUHRXDCOHSBF-UHFFFAOYSA-N 0 0 449.531 6.174 50 10 IKCARN Cc1c(C(c2c(C)n(C)c3ccccc32)c2ccc(O)c(O)c2O)c2ccccc2n1C ZINC000015016746 525672982 /nfs/dbraw/zinc/67/29/82/525672982.db2.gz GYTPYFOOWTUICX-UHFFFAOYSA-N 0 0 426.516 5.584 50 10 IKCARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000033915686 525730250 /nfs/dbraw/zinc/73/02/50/525730250.db2.gz JKPRBBCONXVSOD-CJLVFECKSA-N 0 0 444.560 5.004 50 10 IKCARN Cc1cc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)no2)ccc1F ZINC000021787859 526037515 /nfs/dbraw/zinc/03/75/15/526037515.db2.gz PHLNHQRJTROHNN-UHFFFAOYSA-N 0 0 433.483 5.291 50 10 IKCARN Cc1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000016283191 526039052 /nfs/dbraw/zinc/03/90/52/526039052.db2.gz VGUJZXTYNASYST-UNOMPAQXSA-N 0 0 428.535 5.697 50 10 IKCARN Cc1cc(/C=C2/c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000012550188 526088195 /nfs/dbraw/zinc/08/81/95/526088195.db2.gz LAYHFUFVOMNLJX-VEILYXNESA-N 0 0 446.550 6.439 50 10 IKCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012574073 526207612 /nfs/dbraw/zinc/20/76/12/526207612.db2.gz ACXMMIMAPMHYGB-OKILXGFUSA-N 0 0 428.882 5.058 50 10 IKCARN Cc1cc(C(=O)Cn2c3ccccc3nc2[C@@H](C)O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000012535007 526217510 /nfs/dbraw/zinc/21/75/10/526217510.db2.gz RHUUXYNHASZUQW-OAHLLOKOSA-N 0 0 425.891 5.173 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(SC)c3)ccc21 ZINC000003057216 534915543 /nfs/dbraw/zinc/91/55/43/534915543.db2.gz UBHUNHKRNVJAFH-UHFFFAOYSA-N 0 0 443.682 5.417 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000003057241 534915779 /nfs/dbraw/zinc/91/57/79/534915779.db2.gz ABUXRKZQSGJSAG-UHFFFAOYSA-N 0 0 446.060 5.656 50 10 IKCARN Oc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(Br)c1O ZINC000015016583 526333272 /nfs/dbraw/zinc/33/32/72/526333272.db2.gz IWOGNFWRYJDTCR-UHFFFAOYSA-N 0 0 433.305 6.003 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccccc2Cl)N1 ZINC000020763547 526346469 /nfs/dbraw/zinc/34/64/69/526346469.db2.gz JASVRWHNSBCFKZ-XXBNENTESA-N 0 0 441.314 5.650 50 10 IKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cc(Br)cs1 ZINC000036059963 526369663 /nfs/dbraw/zinc/36/96/63/526369663.db2.gz DGJYLXISDVTZMJ-JXFKEZNVSA-N 0 0 427.323 5.459 50 10 IKCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cc(Br)cs1 ZINC000036059965 526370240 /nfs/dbraw/zinc/37/02/40/526370240.db2.gz DGJYLXISDVTZMJ-UZLBHIALSA-N 0 0 427.323 5.459 50 10 IKCARN Fc1ccccc1-c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)o1 ZINC000012375693 526405965 /nfs/dbraw/zinc/40/59/65/526405965.db2.gz YEQUXQNEIHQNLN-UHFFFAOYSA-N 0 0 447.853 6.526 50 10 IKCARN N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000032969751 526838086 /nfs/dbraw/zinc/83/80/86/526838086.db2.gz MTYMLNLXIKTOPZ-JUVBEIPNSA-N 0 0 440.550 5.364 50 10 IKCARN N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000018176156 526838310 /nfs/dbraw/zinc/83/83/10/526838310.db2.gz CXYDZIQVASZCSH-WEHZRUJJSA-N 0 0 442.456 5.159 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000009311242 526939682 /nfs/dbraw/zinc/93/96/82/526939682.db2.gz HZMANHYJEACDSI-SFQUDFHCSA-N 0 0 426.730 7.118 50 10 IKCARN O=C1OC(c2ccccc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000022135378 527092841 /nfs/dbraw/zinc/09/28/41/527092841.db2.gz JFSYPSPMHWJWSS-UVTDQMKNSA-N 0 0 438.233 5.599 50 10 IKCARN O=C(Nc1cccc(C=C2SC(NC3CCCC3)=NC2=O)c1)c1ccc(Cl)cc1 ZINC000020987543 527323807 /nfs/dbraw/zinc/32/38/07/527323807.db2.gz JKWUFKZPDLVNTB-UYRXBGFRSA-N 0 0 425.941 5.095 50 10 IKCARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccc(N(C)C)cc3)cc1CC2 ZINC000033266762 527551831 /nfs/dbraw/zinc/55/18/31/527551831.db2.gz IZOAPCOSUKRUBO-UHFFFAOYSA-N 0 0 442.588 5.004 50 10 IKCARN CCOc1ccccc1/C=C1\SC(N2CCN(c3cccc4ccccc43)CC2)=NC1=O ZINC000002690896 535485527 /nfs/dbraw/zinc/48/55/27/535485527.db2.gz BCMUBTPGBJNOPA-MOHJPFBDSA-N 0 0 443.572 5.031 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n32)c(C)n1-c1ccc(F)cc1 ZINC000000630388 555514643 /nfs/dbraw/zinc/51/46/43/555514643.db2.gz PHQADMOPRJOFML-UHFFFAOYSA-N 0 0 430.508 5.404 50 10 IKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1cccs1 ZINC000000679192 555536536 /nfs/dbraw/zinc/53/65/36/555536536.db2.gz MAKRKLTVYJEOBC-UHFFFAOYSA-N 0 0 434.355 5.806 50 10 IKCARN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000000678910 555536582 /nfs/dbraw/zinc/53/65/82/555536582.db2.gz CODUHCLDBJENOG-UHFFFAOYSA-N 0 0 434.904 5.444 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@@H](C)CC3)c(OC)c1 ZINC000000729124 555552212 /nfs/dbraw/zinc/55/22/12/555552212.db2.gz KBLIPTCCPDKSAU-AWEZNQCLSA-N 0 0 440.565 5.656 50 10 IKCARN O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000000781558 555555191 /nfs/dbraw/zinc/55/51/91/555555191.db2.gz LSZXXNGUMSFATP-UHFFFAOYSA-N 0 0 432.523 5.093 50 10 IKCARN Cc1[nH]c2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000000864735 555573184 /nfs/dbraw/zinc/57/31/84/555573184.db2.gz XYQYBSLPKZQYCI-UHFFFAOYSA-N 0 0 437.524 5.225 50 10 IKCARN CCCc1ccc(C(=O)C[C@@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000864598 555573321 /nfs/dbraw/zinc/57/33/21/555573321.db2.gz OHFKFWICULLBAT-QHCPKHFHSA-N 0 0 430.931 6.053 50 10 IKCARN COc1ccc(OC)c(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)c1 ZINC000000920843 555584669 /nfs/dbraw/zinc/58/46/69/555584669.db2.gz GRAANJDZFGWPHU-UHFFFAOYSA-N 0 0 438.549 5.127 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@H](C)CC3)c1 ZINC000000920910 555584718 /nfs/dbraw/zinc/58/47/18/555584718.db2.gz PYMNHHOLIWZYKE-CQSZACIVSA-N 0 0 440.565 5.656 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1 ZINC000000970614 555591467 /nfs/dbraw/zinc/59/14/67/555591467.db2.gz IKTPLHUADXTZRD-LZYBPNLTSA-N 0 0 425.453 5.128 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc4cccnc43)c2)SC1=S ZINC000001015912 555602543 /nfs/dbraw/zinc/60/25/43/555602543.db2.gz YSOUEAMGLQEEEJ-MOSHPQCFSA-N 0 0 436.558 5.044 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC ZINC000001101021 555628714 /nfs/dbraw/zinc/62/87/14/555628714.db2.gz BZHHXRAMCSQJEU-GZTJUZNOSA-N 0 0 429.314 5.053 50 10 IKCARN COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000001105228 555629285 /nfs/dbraw/zinc/62/92/85/555629285.db2.gz ODBXEIKQHOKBIU-UDWIEESQSA-N 0 0 428.941 5.185 50 10 IKCARN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1Cc1ccco1 ZINC000001112671 555632658 /nfs/dbraw/zinc/63/26/58/555632658.db2.gz PSOADDHALSLEKV-XKZIYDEJSA-N 0 0 430.554 5.684 50 10 IKCARN COC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 ZINC000001129497 555643752 /nfs/dbraw/zinc/64/37/52/555643752.db2.gz SEGTYIUMLOFUGS-VWLOTQADSA-N 0 0 430.456 5.070 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccccn1)CCCCC2 ZINC000001146700 555653813 /nfs/dbraw/zinc/65/38/13/555653813.db2.gz LYIIHKHLJLFLLZ-UHFFFAOYSA-N 0 0 441.984 5.938 50 10 IKCARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001206400 555680631 /nfs/dbraw/zinc/68/06/31/555680631.db2.gz QHNRZILIHSUWLA-XFFZJAGNSA-N 0 0 434.258 5.467 50 10 IKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000001446653 555699212 /nfs/dbraw/zinc/69/92/12/555699212.db2.gz GNZLZGGQMDWHPK-BKUYFWCQSA-N 0 0 433.602 5.705 50 10 IKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001467445 555700842 /nfs/dbraw/zinc/70/08/42/555700842.db2.gz DIFWGBBHKSMEIJ-NDENLUEZSA-N 0 0 435.574 5.063 50 10 IKCARN O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1ccccc1)c1ccccc1 ZINC000001588940 555704519 /nfs/dbraw/zinc/70/45/19/555704519.db2.gz DVCNQNJAFYASSQ-UHFFFAOYSA-N 0 0 435.310 5.787 50 10 IKCARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OCc1ccccc1Cl ZINC000001778907 555714672 /nfs/dbraw/zinc/71/46/72/555714672.db2.gz STBUKZXZHVCMNE-INIZCTEOSA-N 0 0 434.875 5.624 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001800747 555717028 /nfs/dbraw/zinc/71/70/28/555717028.db2.gz WCBCAOGBORJGDA-KGENOOAVSA-N 0 0 437.973 6.325 50 10 IKCARN Cc1ccc(C)n1-c1ccc(Oc2cccc(Oc3ccc(-n4c(C)ccc4C)cc3)c2)cc1 ZINC000001833563 555719118 /nfs/dbraw/zinc/71/91/18/555719118.db2.gz ZZKUFQMDHIBXPI-UHFFFAOYSA-N 0 0 448.566 8.086 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1ccc(C)c(C)c1 ZINC000001896272 555723307 /nfs/dbraw/zinc/72/33/07/555723307.db2.gz PUEGXFICSTZERE-UHFFFAOYSA-N 0 0 435.618 6.308 50 10 IKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002057321 555731075 /nfs/dbraw/zinc/73/10/75/555731075.db2.gz WODYEKSMXZVQML-XDHOZWIPSA-N 0 0 445.487 6.273 50 10 IKCARN COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000002067847 555733999 /nfs/dbraw/zinc/73/39/99/555733999.db2.gz SRYSAXPLFOQZOX-XDHOZWIPSA-N 0 0 427.934 6.014 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccccc1 ZINC000002070541 555734833 /nfs/dbraw/zinc/73/48/33/555734833.db2.gz XYYZUIWONJLRLN-PXLXIMEGSA-N 0 0 433.554 5.680 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@@H](C)C2 ZINC000002072946 555735062 /nfs/dbraw/zinc/73/50/62/555735062.db2.gz WFEHVHBOQAKCFD-CYBMUJFWSA-N 0 0 447.025 6.461 50 10 aggregator IKCARN CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CC[C@@H](C)C2 ZINC000002072944 555735076 /nfs/dbraw/zinc/73/50/76/555735076.db2.gz QIGADTORCOEIPM-OAHLLOKOSA-N 0 0 440.634 6.506 50 10 IKCARN COc1ccc(-c2cc(C(C)(C)C)nc3sc(C(=O)Oc4ccccc4)c(N)c32)cc1 ZINC000002087536 555740315 /nfs/dbraw/zinc/74/03/15/555740315.db2.gz OHWLUCIODQQVSW-UHFFFAOYSA-N 0 0 432.545 6.071 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000002119948 555745276 /nfs/dbraw/zinc/74/52/76/555745276.db2.gz RFTVCPPLVTYBRX-XDHOZWIPSA-N 0 0 449.498 5.658 50 10 IKCARN COc1ccc(NC2=NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000002123303 555745630 /nfs/dbraw/zinc/74/56/30/555745630.db2.gz ZEYNJOOPPKSNFW-IWIPYMOSSA-N 0 0 439.540 5.781 50 10 IKCARN Cc1ccc([C@@H]2c3ccccc3OC(c3ccccc3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000002157395 555750624 /nfs/dbraw/zinc/75/06/24/555750624.db2.gz OMSYJNKSEPXPBZ-VKIDYWOHSA-N 0 0 441.577 5.962 50 10 IKCARN CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000002164913 555751139 /nfs/dbraw/zinc/75/11/39/555751139.db2.gz XNYRUOJQFQKACE-NDENLUEZSA-N 0 0 430.957 5.826 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC ZINC000002256917 555763162 /nfs/dbraw/zinc/76/31/62/555763162.db2.gz MYTDWGWNCPAQJF-JCMHNJIXSA-N 0 0 449.553 5.902 50 10 IKCARN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C=C1SC(=S)NC1=O ZINC000002268178 555764080 /nfs/dbraw/zinc/76/40/80/555764080.db2.gz FPYPMIFTPVAAGV-AMCKHAKVSA-N 0 0 441.577 5.962 50 10 IKCARN COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000002279135 555765012 /nfs/dbraw/zinc/76/50/12/555765012.db2.gz ZLGKFHWQJRABTK-KGENOOAVSA-N 0 0 449.601 5.004 50 10 IKCARN Cc1ccc(Nc2cc(Sc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002316105 555767922 /nfs/dbraw/zinc/76/79/22/555767922.db2.gz FZBLFZJLKUWTQE-UHFFFAOYSA-N 0 0 434.520 7.242 50 10 IKCARN CCCCC1(Cc2ccccc2OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002365842 555772617 /nfs/dbraw/zinc/77/26/17/555772617.db2.gz SDMPVERKAPDMJJ-UHFFFAOYSA-N 0 0 428.532 5.409 50 10 IKCARN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002370882 555773187 /nfs/dbraw/zinc/77/31/87/555773187.db2.gz FKDSVKYAZAVOAN-UHFFFAOYSA-N 0 0 442.895 5.071 50 10 IKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(Cl)cc2)C(=O)C1 ZINC000002582093 555788541 /nfs/dbraw/zinc/78/85/41/555788541.db2.gz QYUVVEHKLWRYOO-UHFFFAOYSA-N 0 0 428.757 6.715 50 10 IKCARN CCCCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000002688794 555798979 /nfs/dbraw/zinc/79/89/79/555798979.db2.gz ZFBNFTNWBBSDCS-HNENSFHCSA-N 0 0 442.993 5.258 50 10 IKCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000002783479 555819770 /nfs/dbraw/zinc/81/97/70/555819770.db2.gz IKBDVALKASCZIR-JCMHNJIXSA-N 0 0 449.553 5.902 50 10 IKCARN CCOC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 ZINC000002812172 555827579 /nfs/dbraw/zinc/82/75/79/555827579.db2.gz ZSAHHSWTCGDXCC-AREMUKBSSA-N 0 0 444.483 5.460 50 10 aggregator IKCARN CCOC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 ZINC000002812173 555827627 /nfs/dbraw/zinc/82/76/27/555827627.db2.gz ZSAHHSWTCGDXCC-SANMLTNESA-N 0 0 444.483 5.460 50 10 aggregator IKCARN O=S(=O)(Nc1cc(SCc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000002856111 555841695 /nfs/dbraw/zinc/84/16/95/555841695.db2.gz YBFIWGGSPVJORF-UHFFFAOYSA-N 0 0 439.533 5.778 50 10 IKCARN COc1ccc(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)cc1 ZINC000002858818 555843242 /nfs/dbraw/zinc/84/32/42/555843242.db2.gz ZYTRVLYRUQUXQS-UHFFFAOYSA-N 0 0 437.542 5.506 50 10 IKCARN CCCN(CCC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 ZINC000002906195 555861690 /nfs/dbraw/zinc/86/16/90/555861690.db2.gz QICHVLKERHTPLD-QFIPXVFZSA-N 0 0 435.597 5.780 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000002931361 555864194 /nfs/dbraw/zinc/86/41/94/555864194.db2.gz JOQOMEBVDOAGQB-UNOMPAQXSA-N 0 0 438.486 5.269 50 10 IKCARN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000002954881 555866594 /nfs/dbraw/zinc/86/65/94/555866594.db2.gz PTPMKHFVUAOEDH-UHFFFAOYSA-N 0 0 435.501 5.118 50 10 IKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 ZINC000002958976 555867212 /nfs/dbraw/zinc/86/72/12/555867212.db2.gz VSDHYHXAPRPWRK-KGENOOAVSA-N 0 0 427.591 5.407 50 10 IKCARN CCOC(=O)[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 ZINC000002976745 555870022 /nfs/dbraw/zinc/87/00/22/555870022.db2.gz ICRLYMQARHYWKP-XMMPIXPASA-N 0 0 434.875 5.797 50 10 IKCARN CCOC(=O)[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 ZINC000002976748 555870037 /nfs/dbraw/zinc/87/00/37/555870037.db2.gz ICRLYMQARHYWKP-DEOSSOPVSA-N 0 0 434.875 5.797 50 10 IKCARN CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1OC)Nc1ccccc1-2 ZINC000002977463 555870281 /nfs/dbraw/zinc/87/02/81/555870281.db2.gz JQYPHNORTUERJZ-NRFANRHFSA-N 0 0 437.569 5.009 50 10 IKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1 ZINC000002992031 555875124 /nfs/dbraw/zinc/87/51/24/555875124.db2.gz CVRAWIAYISNASN-SFQUDFHCSA-N 0 0 436.023 6.618 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002992893 555875518 /nfs/dbraw/zinc/87/55/18/555875518.db2.gz ZZBXAOINMQRBOE-RCCKNPSSSA-N 0 0 436.989 6.514 50 10 IKCARN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000034782147 555894516 /nfs/dbraw/zinc/89/45/16/555894516.db2.gz VPFJNIVNVZPVEG-RIYZIHGNSA-N 0 0 434.291 6.418 50 10 IKCARN CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 ZINC000003877660 555950277 /nfs/dbraw/zinc/95/02/77/555950277.db2.gz XAIUYGMTCFRGEH-CJLVFECKSA-N 0 0 446.348 5.350 50 10 IKCARN CCN(CC)c1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000003880459 555950584 /nfs/dbraw/zinc/95/05/84/555950584.db2.gz HAXLEDNXMLKGEP-UHFFFAOYSA-N 0 0 425.528 5.414 50 10 IKCARN COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)c1C ZINC000004237812 555978411 /nfs/dbraw/zinc/97/84/11/555978411.db2.gz JIYTVTRASFOWEI-UHFFFAOYSA-N 0 0 449.142 5.764 50 10 IKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000004289895 555983051 /nfs/dbraw/zinc/98/30/51/555983051.db2.gz ABSLZLFSUQLLFG-MRXNPFEDSA-N 0 0 431.454 5.949 50 10 biogenic IKCARN CCN(CC)P(=N/N=N/c1nc2ccccc2s1)(c1ccccc1)N(CC)CC ZINC000004558089 556001158 /nfs/dbraw/zinc/00/11/58/556001158.db2.gz ODKIOWSXMWVSQZ-WCWDXBQESA-N 0 0 428.546 6.335 50 10 IKCARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccc(Br)cc3)ccc2n1 ZINC000004757320 556009786 /nfs/dbraw/zinc/00/97/86/556009786.db2.gz NBSVRPIOLFKBDB-MDWZMJQESA-N 0 0 438.369 5.804 50 10 IKCARN CCCCN1C(=O)/C(=C\c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S ZINC000004820504 556013386 /nfs/dbraw/zinc/01/33/86/556013386.db2.gz CNTVTTQVGWKFQT-CJLVFECKSA-N 0 0 433.602 5.849 50 10 IKCARN CC(C)COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006134893 556076743 /nfs/dbraw/zinc/07/67/43/556076743.db2.gz JPOBYFNEKUHMFI-LFVJCYFKSA-N 0 0 441.487 5.464 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000006144586 556077900 /nfs/dbraw/zinc/07/79/00/556077900.db2.gz JYWBBHQMIZZTQG-IEGUWTFLSA-N 0 0 427.375 6.446 50 10 IKCARN CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OCC ZINC000006388917 556086288 /nfs/dbraw/zinc/08/62/88/556086288.db2.gz RGSVHTDNNWJMKH-XMMPIXPASA-N 0 0 429.520 5.643 50 10 IKCARN CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000006387288 556086327 /nfs/dbraw/zinc/08/63/27/556086327.db2.gz DFGDEHMIIPYKSL-DEOSSOPVSA-N 0 0 429.520 5.561 50 10 IKCARN O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1O ZINC000006457215 556089318 /nfs/dbraw/zinc/08/93/18/556089318.db2.gz HPNHVAVMMGWFEQ-ZVQQDINOSA-N 0 0 444.918 5.544 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000006470508 556090365 /nfs/dbraw/zinc/09/03/65/556090365.db2.gz DYFRNGCRAVRXOE-RCCKNPSSSA-N 0 0 443.590 5.073 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3cccc4c3-c3ccccc3C4=O)SC2=S)cc1 ZINC000006645275 556099885 /nfs/dbraw/zinc/09/98/85/556099885.db2.gz LANPHIWTSSVMSV-DEDYPNTBSA-N 0 0 429.522 5.312 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000006645264 556099919 /nfs/dbraw/zinc/09/99/19/556099919.db2.gz MNPUJEFJBXTBHX-XDHOZWIPSA-N 0 0 438.486 5.269 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000002671734 556118349 /nfs/dbraw/zinc/11/83/49/556118349.db2.gz OFPSANYOPPNJAG-MOSHPQCFSA-N 0 0 435.574 5.077 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000002682738 556118645 /nfs/dbraw/zinc/11/86/45/556118645.db2.gz LGPWBLSLPNPWQU-MOSHPQCFSA-N 0 0 441.961 6.405 50 10 IKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000002678386 556118804 /nfs/dbraw/zinc/11/88/04/556118804.db2.gz GXMSLUQGNBACDO-HKWRFOASSA-N 0 0 437.590 5.914 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000002696746 556121506 /nfs/dbraw/zinc/12/15/06/556121506.db2.gz SKHCQVCSQOPQOX-CTFRJJSNSA-N 0 0 444.578 6.272 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000002696926 556121528 /nfs/dbraw/zinc/12/15/28/556121528.db2.gz DYOBMMIYFBIJLA-UYRXBGFRSA-N 0 0 439.993 5.804 50 10 IKCARN O=[N+]([O-])c1cccc([C@H](Nc2nc3c(s2)CCCC3)c2ccc3cccnc3c2O)c1 ZINC000002708556 556124507 /nfs/dbraw/zinc/12/45/07/556124507.db2.gz WWTYYBWCJMFCHT-FQEVSTJZSA-N 0 0 432.505 5.385 50 10 IKCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000002776517 556140461 /nfs/dbraw/zinc/14/04/61/556140461.db2.gz SAHHRWZSOAHXQW-PXNMLYILSA-N 0 0 426.346 5.070 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S ZINC000002812003 556145774 /nfs/dbraw/zinc/14/57/74/556145774.db2.gz KCNTUXAEUPNTTH-FDIDITGRSA-N 0 0 431.966 5.559 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1ccc(C)c(C)c1 ZINC000002888982 556147526 /nfs/dbraw/zinc/14/75/26/556147526.db2.gz GVYASCKLESXPGL-UHFFFAOYSA-N 0 0 447.629 6.179 50 10 IKCARN Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 ZINC000002962190 556151350 /nfs/dbraw/zinc/15/13/50/556151350.db2.gz PWSGZGKWDLRJTL-KGENOOAVSA-N 0 0 427.591 5.407 50 10 IKCARN O=C1NC(=S)S/C1=C\c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1 ZINC000002993756 556155832 /nfs/dbraw/zinc/15/58/32/556155832.db2.gz LRZHZROICVYVPX-JWGURIENSA-N 0 0 439.602 5.681 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000008386686 556162132 /nfs/dbraw/zinc/16/21/32/556162132.db2.gz WYTSMQXWILZQLB-XDHOZWIPSA-N 0 0 427.934 6.014 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(C)cc1 ZINC000008407228 556166715 /nfs/dbraw/zinc/16/67/15/556166715.db2.gz CZVKKZVTHBTCRX-JJIBRWJFSA-N 0 0 442.515 5.268 50 10 IKCARN Cc1cc2nc3c4ccccc4c(=O)c(-c4ccc(Br)cc4)c-3[nH]c2cc1C ZINC000008425784 556168581 /nfs/dbraw/zinc/16/85/81/556168581.db2.gz ZYXXBLXIUKJFFP-UHFFFAOYSA-N 0 0 429.317 6.688 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCC3)c1 ZINC000008430090 556170209 /nfs/dbraw/zinc/17/02/09/556170209.db2.gz CHORGAWCXAVVTE-UHFFFAOYSA-N 0 0 426.538 5.410 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl ZINC000008430291 556170284 /nfs/dbraw/zinc/17/02/84/556170284.db2.gz CAUWCQDDWTUZEM-ZHZULCJRSA-N 0 0 425.916 5.324 50 10 IKCARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000008430812 556170831 /nfs/dbraw/zinc/17/08/31/556170831.db2.gz XIKQCLVQTJCGMT-GFCCVEGCSA-N 0 0 440.282 5.175 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 ZINC000008439098 556175182 /nfs/dbraw/zinc/17/51/82/556175182.db2.gz QWZOUKCKNGFMIY-HAHDFKILSA-N 0 0 430.479 5.610 50 10 IKCARN CCCN1C(=O)/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S ZINC000008451877 556182503 /nfs/dbraw/zinc/18/25/03/556182503.db2.gz XWSQDDPYYWYWBO-PDGQHHTCSA-N 0 0 433.982 5.539 50 10 IKCARN CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OCC ZINC000008453120 556183795 /nfs/dbraw/zinc/18/37/95/556183795.db2.gz NUENVLGLYLEKBR-RUZDIDTESA-N 0 0 443.547 5.951 50 10 IKCARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 ZINC000008454096 556184693 /nfs/dbraw/zinc/18/46/93/556184693.db2.gz IIQKVBNNKZPKIC-PPJWLVRDSA-N 0 0 446.572 5.631 50 10 IKCARN Brc1ccc2c(c1)c1cc(-c3ccccc3)oc1c1nc3ccccc3nc21 ZINC000008453844 556184762 /nfs/dbraw/zinc/18/47/62/556184762.db2.gz FVMPBMIDGOQKTC-UHFFFAOYSA-N 0 0 425.285 7.112 50 10 IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000008826703 556224185 /nfs/dbraw/zinc/22/41/85/556224185.db2.gz KDFDHDNZJDIUHZ-NBVRZTHBSA-N 0 0 447.288 5.829 50 10 IKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1 ZINC000008872208 556229900 /nfs/dbraw/zinc/22/99/00/556229900.db2.gz SDQRHZULYUMLDU-OQKWZONESA-N 0 0 448.478 6.635 50 10 IKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000008955660 556236512 /nfs/dbraw/zinc/23/65/12/556236512.db2.gz XGCPTORZWVSKKN-DEOSSOPVSA-N 0 0 443.502 5.407 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1O ZINC000009188552 556251304 /nfs/dbraw/zinc/25/13/04/556251304.db2.gz BNDZEIFPLFGFTD-CHHVJCJISA-N 0 0 442.345 5.122 50 10 IKCARN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000009232860 556262061 /nfs/dbraw/zinc/26/20/61/556262061.db2.gz SIRDTERPHMCGGX-RGVLZGJSSA-N 0 0 443.546 5.009 50 10 IKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1Br ZINC000009262133 556269293 /nfs/dbraw/zinc/26/92/93/556269293.db2.gz LTRHGNDHUUFYPW-PDGQHHTCSA-N 0 0 433.305 5.324 50 10 IKCARN COc1c(Br)cc(Cl)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000009296119 556275226 /nfs/dbraw/zinc/27/52/26/556275226.db2.gz WJRQYSKWACYAOM-MLPAPPSSSA-N 0 0 444.759 5.106 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000009296437 556275467 /nfs/dbraw/zinc/27/54/67/556275467.db2.gz CCWRMQPQVYNIBS-OVCLIPMQSA-N 0 0 440.771 5.517 50 10 IKCARN Cc1ccc(C(=O)Oc2c3ccccc3c3nc4ccccc4nc3c2-c2ccccc2)cc1 ZINC000009301752 556275802 /nfs/dbraw/zinc/27/58/02/556275802.db2.gz JUQQLMSXOGCQJK-UHFFFAOYSA-N 0 0 440.502 7.131 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O ZINC000013687834 556277777 /nfs/dbraw/zinc/27/77/77/556277777.db2.gz GEXZUQFRLQXQNL-SOFYXZRVSA-N 0 0 426.346 5.504 50 10 IKCARN CN1C(=O)/C(=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)SC1=S ZINC000009310246 556278830 /nfs/dbraw/zinc/27/88/30/556278830.db2.gz KGECSSWYBCWAOB-NTUHNPAUSA-N 0 0 437.386 5.815 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1 ZINC000009311254 556279629 /nfs/dbraw/zinc/27/96/29/556279629.db2.gz RDZCQTVHEFFWEW-HMMYKYKNSA-N 0 0 446.344 6.237 50 10 IKCARN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 ZINC000009311516 556279643 /nfs/dbraw/zinc/27/96/43/556279643.db2.gz NPAFLOKDLZQKPK-LFVJCYFKSA-N 0 0 427.504 5.077 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000009311252 556279646 /nfs/dbraw/zinc/27/96/46/556279646.db2.gz GMIDUXSSHFSNGE-HMMYKYKNSA-N 0 0 446.344 6.237 50 10 IKCARN O=C1NC(=S)S/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000013739472 556298161 /nfs/dbraw/zinc/29/81/61/556298161.db2.gz DYHJHZBHOUOJLY-GQBVICOWSA-N 0 0 441.581 5.531 50 10 IKCARN COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000013775250 556307261 /nfs/dbraw/zinc/30/72/61/556307261.db2.gz RTLCXLBGPLCBIN-MHWRWJLKSA-N 0 0 428.362 5.491 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000013801166 556310463 /nfs/dbraw/zinc/31/04/63/556310463.db2.gz KOXJPAPYSAWDQV-JCMHNJIXSA-N 0 0 446.597 5.768 50 10 IKCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000013801472 556310528 /nfs/dbraw/zinc/31/05/28/556310528.db2.gz CTMNAPHEFBKCKH-XDHOZWIPSA-N 0 0 438.486 5.269 50 10 IKCARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 ZINC000013801085 556310539 /nfs/dbraw/zinc/31/05/39/556310539.db2.gz ZNWKKBDFEGEAAG-NTCAYCPXSA-N 0 0 436.342 5.929 50 10 IKCARN Nc1c(C(=O)Nc2ccccc2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000013838160 556317149 /nfs/dbraw/zinc/31/71/49/556317149.db2.gz SGDXJQWIHALIHF-UHFFFAOYSA-N 0 0 433.467 5.040 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1F ZINC000013893100 556327244 /nfs/dbraw/zinc/32/72/44/556327244.db2.gz NEDXKKPYUZQRAT-PXLXIMEGSA-N 0 0 430.479 5.610 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1 ZINC000013897007 556329829 /nfs/dbraw/zinc/32/98/29/556329829.db2.gz IMIAVEGYADITRV-MOHJPFBDSA-N 0 0 442.515 5.349 50 10 IKCARN Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013940495 556337971 /nfs/dbraw/zinc/33/79/71/556337971.db2.gz ZFMMPFVQCUHGNH-QJOMJCCJSA-N 0 0 447.581 5.859 50 10 IKCARN CCOc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)O2)cc1 ZINC000013940754 556338153 /nfs/dbraw/zinc/33/81/53/556338153.db2.gz GWYUIMXYXXWTHD-XQNSMLJCSA-N 0 0 442.511 6.044 50 10 IKCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000014009144 556354144 /nfs/dbraw/zinc/35/41/44/556354144.db2.gz ZAFFGFCXFAGKTE-JLPGSUDCSA-N 0 0 432.564 5.408 50 10 IKCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000014010547 556354807 /nfs/dbraw/zinc/35/48/07/556354807.db2.gz NZIXQECPBYQYDO-JCMHNJIXSA-N 0 0 444.506 5.419 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000014010523 556354822 /nfs/dbraw/zinc/35/48/22/556354822.db2.gz CPWGCFCHCHUTTC-OYKKKHCWSA-N 0 0 444.531 5.177 50 10 IKCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000014010553 556354832 /nfs/dbraw/zinc/35/48/32/556354832.db2.gz BFWJMWNUUDVLGP-JLPGSUDCSA-N 0 0 448.563 5.108 50 10 IKCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000014010532 556354849 /nfs/dbraw/zinc/35/48/49/556354849.db2.gz KOGLHVPFBPXZPH-BWAHOGKJSA-N 0 0 440.543 5.009 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 ZINC000014010139 556354859 /nfs/dbraw/zinc/35/48/59/556354859.db2.gz QWZOUKCKNGFMIY-HZHRSRAPSA-N 0 0 430.479 5.610 50 10 IKCARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C)c2)N3)c1 ZINC000014165970 556379412 /nfs/dbraw/zinc/37/94/12/556379412.db2.gz IIQKVBNNKZPKIC-UMFSSWHCSA-N 0 0 446.572 5.631 50 10 IKCARN CCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2Cl)cc1 ZINC000032670930 556414137 /nfs/dbraw/zinc/41/41/37/556414137.db2.gz KBEMXFYPIZACOT-ZHZULCJRSA-N 0 0 448.009 5.581 50 10 IKCARN COc1ccc(C(=O)Nc2cccc(C=C3SC(Nc4ccccc4C)=NC3=O)c2)cc1 ZINC000013030174 556442280 /nfs/dbraw/zinc/44/22/80/556442280.db2.gz UTCCNTNHSZULHU-JCMHNJIXSA-N 0 0 443.528 5.338 50 10 IKCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccn2)cc1 ZINC000028291155 556449714 /nfs/dbraw/zinc/44/97/14/556449714.db2.gz RFJUSIHRRYJTNL-UHFFFAOYSA-N 0 0 428.363 6.082 50 10 IKCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)cc1 ZINC000028290677 556449725 /nfs/dbraw/zinc/44/97/25/556449725.db2.gz KVLPFMMBEQVTKE-UHFFFAOYSA-N 0 0 431.580 5.810 50 10 IKCARN Nc1ccc(Oc2nc(Oc3ccc(N)cc3)c(F)c(Oc3ccc(N)cc3)c2F)cc1 ZINC000013074630 556455042 /nfs/dbraw/zinc/45/50/42/556455042.db2.gz WRALAPPLMLHMLA-UHFFFAOYSA-N 0 0 436.418 5.483 50 10 IKCARN Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000013131732 556480742 /nfs/dbraw/zinc/48/07/42/556480742.db2.gz JBSGCSNXEKVBSL-UHFFFAOYSA-N 0 0 441.503 5.557 50 10 IKCARN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000015010741 556483235 /nfs/dbraw/zinc/48/32/35/556483235.db2.gz GJCFKQQJTKEJTP-ULJHMMPZSA-N 0 0 445.609 6.018 50 10 IKCARN CCn1cc(C(c2cn(CC)c3ccccc23)c2ccc(O)c(O)c2O)c2ccccc21 ZINC000015016930 556486290 /nfs/dbraw/zinc/48/62/90/556486290.db2.gz AYGXYRGMWOVBGF-UHFFFAOYSA-N 0 0 426.516 5.933 50 10 IKCARN O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000013148147 556489698 /nfs/dbraw/zinc/48/96/98/556489698.db2.gz IUICZBJZADMRCZ-MTJSOVHGSA-N 0 0 429.317 5.945 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000030696384 556502340 /nfs/dbraw/zinc/50/23/40/556502340.db2.gz DJLYPWCDVFJHOY-YIFJCWOOSA-N 0 0 442.456 5.159 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccccc1 ZINC000013548735 556514710 /nfs/dbraw/zinc/51/47/10/556514710.db2.gz DNFAMXLHWDKWLO-WOJGMQOQSA-N 0 0 432.353 6.659 50 10 IKCARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O ZINC000015412952 556525706 /nfs/dbraw/zinc/52/57/06/556525706.db2.gz QVDDYUPNYYXYGV-RUZDIDTESA-N 0 0 447.966 5.144 50 10 IKCARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O ZINC000015412949 556525727 /nfs/dbraw/zinc/52/57/27/556525727.db2.gz QVDDYUPNYYXYGV-VWLOTQADSA-N 0 0 447.966 5.144 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000013590967 556529039 /nfs/dbraw/zinc/52/90/39/556529039.db2.gz ANUBAMYZSAOOSS-ZLYHGVDXSA-N 0 0 440.373 5.634 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccccc1 ZINC000013590931 556529105 /nfs/dbraw/zinc/52/91/05/556529105.db2.gz QBJFOTYNKBEBLF-XDHOZWIPSA-N 0 0 445.487 6.367 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000013590996 556529135 /nfs/dbraw/zinc/52/91/35/556529135.db2.gz FOXNSIGKDJSUNS-OCEACIFDSA-N 0 0 426.328 7.876 50 10 IKCARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000013601384 556532614 /nfs/dbraw/zinc/53/26/14/556532614.db2.gz KQOVBHJKSLXETN-XLNRJJMWSA-N 0 0 425.484 5.343 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1 ZINC000013602810 556533002 /nfs/dbraw/zinc/53/30/02/556533002.db2.gz PGOIKDCQCANWHK-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000015525342 556533219 /nfs/dbraw/zinc/53/32/19/556533219.db2.gz DKLMHGFTYSLSOL-UHFFFAOYSA-N 0 0 447.260 5.166 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O ZINC000013614546 556535298 /nfs/dbraw/zinc/53/52/98/556535298.db2.gz LXMAFDMBKNQFBC-SXGWCWSVSA-N 0 0 425.453 5.216 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c(C)c1 ZINC000013647644 556544518 /nfs/dbraw/zinc/54/45/18/556544518.db2.gz CDILWFKTIULDHU-MOSHPQCFSA-N 0 0 435.574 5.125 50 10 IKCARN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000032694308 556546683 /nfs/dbraw/zinc/54/66/83/556546683.db2.gz OCZZGCIRJMKUMG-NBVRZTHBSA-N 0 0 430.620 5.457 50 10 IKCARN CC[C@H](C)c1ccccc1OCCn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000015746798 556548549 /nfs/dbraw/zinc/54/85/49/556548549.db2.gz NFNRIUJBBWORJR-SITPEIFSSA-N 0 0 436.602 5.723 50 10 IKCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@H](C)O1 ZINC000015799322 556552478 /nfs/dbraw/zinc/55/24/78/556552478.db2.gz UXLCMHBQTNGESC-ZASVFINYSA-N 0 0 436.455 5.045 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000033154771 556556267 /nfs/dbraw/zinc/55/62/67/556556267.db2.gz VNBOELHNVVAFRK-DEDYPNTBSA-N 0 0 441.961 6.405 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000015932146 556565399 /nfs/dbraw/zinc/56/53/99/556565399.db2.gz YWYKORKQJNKGSP-MFOYZWKCSA-N 0 0 440.373 5.460 50 10 IKCARN Cc1cccc(NC(=O)C2=CC(=NNc3ccc(O)cc3Cl)c3ccccc3C2=O)c1 ZINC000015945278 556566809 /nfs/dbraw/zinc/56/68/09/556566809.db2.gz XVHIFQRNRHDRON-BYYHNAKLSA-N 0 0 431.879 6.881 50 10 IKCARN O=C(Nc1ccccc1)C1=Cc2ccccc2C(=NNc2cc(Cl)ccc2Cl)C1=O ZINC000033839075 556568815 /nfs/dbraw/zinc/56/88/15/556568815.db2.gz HXJSTOXKASOAQW-BYYHNAKLSA-N 0 0 436.298 7.520 50 10 IKCARN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000033939546 556570217 /nfs/dbraw/zinc/57/02/17/556570217.db2.gz GDWVFUBUKLCCAI-OQKWZONESA-N 0 0 447.629 6.321 50 10 IKCARN COc1cccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc32)c1 ZINC000015821605 556572719 /nfs/dbraw/zinc/57/27/19/556572719.db2.gz CXKKZFHOGHDFKI-AREMUKBSSA-N 0 0 443.499 5.091 50 10 IKCARN COc1cccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc32)c1 ZINC000015821601 556572826 /nfs/dbraw/zinc/57/28/26/556572826.db2.gz CXKKZFHOGHDFKI-SANMLTNESA-N 0 0 443.499 5.091 50 10 IKCARN COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000015821577 556575147 /nfs/dbraw/zinc/57/51/47/556575147.db2.gz MDWNHEVMSYQJKP-JOCHJYFZSA-N 0 0 432.907 5.430 50 10 biogenic IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000034689873 556581029 /nfs/dbraw/zinc/58/10/29/556581029.db2.gz HSKFPLZQONRUPR-YHRCQRQKSA-N 0 0 433.581 5.493 50 10 IKCARN N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000034798814 556582511 /nfs/dbraw/zinc/58/25/11/556582511.db2.gz MUUMTIXIIRGZGV-DMNVVODESA-N 0 0 430.920 5.355 50 10 IKCARN CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000016156465 556585833 /nfs/dbraw/zinc/58/58/33/556585833.db2.gz OQZHLBAGIDNSML-LGUFXXKBSA-N 0 0 441.575 5.559 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1 ZINC000032964424 556587026 /nfs/dbraw/zinc/58/70/26/556587026.db2.gz GYJBXWYCAMLLBO-XVDLVXLGSA-N 0 0 446.363 5.449 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C2=N)S1 ZINC000032964421 556587052 /nfs/dbraw/zinc/58/70/52/556587052.db2.gz JITGXCDRAIVXBZ-XMXHIQRUSA-N 0 0 446.363 5.449 50 10 IKCARN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000016183042 556587381 /nfs/dbraw/zinc/58/73/81/556587381.db2.gz IGOGGZBSBXGQKZ-YZSQISJMSA-N 0 0 443.506 5.304 50 10 IKCARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000016192675 556588765 /nfs/dbraw/zinc/58/87/65/556588765.db2.gz MTBLBGDVRGMYEV-UHFFFAOYSA-N 0 0 434.289 5.094 50 10 IKCARN Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000016192854 556588770 /nfs/dbraw/zinc/58/87/70/556588770.db2.gz FOXNZNOXMLEHNU-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N12 ZINC000032974135 556596248 /nfs/dbraw/zinc/59/62/48/556596248.db2.gz RROHJIPUQWVVBU-JMPIQFJJSA-N 0 0 448.982 5.165 50 10 IKCARN COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000016291432 556597893 /nfs/dbraw/zinc/59/78/93/556597893.db2.gz QMODIBWKRXABQU-UMFSSWHCSA-N 0 0 442.515 6.317 50 10 IKCARN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000016426212 556606528 /nfs/dbraw/zinc/60/65/28/556606528.db2.gz HEQWCUKWRYJVJE-IECBHUPTSA-N 0 0 438.499 5.592 50 10 IKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc(F)cc1 ZINC000016479703 556611380 /nfs/dbraw/zinc/61/13/80/556611380.db2.gz CNHWUVNKDWPWDR-STZFKDTASA-N 0 0 449.528 5.446 50 10 IKCARN CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000038206553 556612400 /nfs/dbraw/zinc/61/24/00/556612400.db2.gz GDNSHFYGRPVIRN-PXLXIMEGSA-N 0 0 447.629 6.157 50 10 IKCARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(N(C)C)cc1)CC2 ZINC000016672210 556621955 /nfs/dbraw/zinc/62/19/55/556621955.db2.gz ZLVPBCWNMROIEP-SANMLTNESA-N 0 0 436.983 5.571 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000033721196 556627332 /nfs/dbraw/zinc/62/73/32/556627332.db2.gz RFTVCPPLVTYBRX-UNOMPAQXSA-N 0 0 449.498 5.658 50 10 IKCARN CCCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000033736555 556627788 /nfs/dbraw/zinc/62/77/88/556627788.db2.gz OLXABKMCANPZHY-OQRYGUKSSA-N 0 0 448.657 6.509 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000033731370 556627974 /nfs/dbraw/zinc/62/79/74/556627974.db2.gz HNUHRZUBPWLFRX-HZWMVPBHSA-N 0 0 432.336 5.040 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000033778175 556632186 /nfs/dbraw/zinc/63/21/86/556632186.db2.gz RROCPOUBLMUYBL-HRXHUYTNSA-N 0 0 433.581 5.520 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O ZINC000016745590 556636618 /nfs/dbraw/zinc/63/66/18/556636618.db2.gz DSLCGJHPSJIZLX-YNPGSSNYSA-N 0 0 436.602 5.561 50 10 IKCARN CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)SC1=S ZINC000016790616 556642821 /nfs/dbraw/zinc/64/28/21/556642821.db2.gz QQBZAVSGYVQTRF-XSFVSMFZSA-N 0 0 441.574 5.224 50 10 IKCARN CCC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000017161167 556670813 /nfs/dbraw/zinc/67/08/13/556670813.db2.gz HSGMICCUKQBPHL-OBGWFSINSA-N 0 0 444.482 5.058 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc([C@@H]3Nc4ccc5ccccc5c4[C@@H]4C=CC[C@@H]43)c2)cc1 ZINC000248164124 556673041 /nfs/dbraw/zinc/67/30/41/556673041.db2.gz QLOPSLVVXLHZEG-ALTZYDRJSA-N 0 0 430.551 7.227 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265396 556674173 /nfs/dbraw/zinc/67/41/73/556674173.db2.gz DGBYBHFQPFLNJH-KNQAVFIVSA-N 0 0 445.733 6.595 50 10 IKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017281845 556674545 /nfs/dbraw/zinc/67/45/45/556674545.db2.gz FIRFSWZYHIOVCM-XYGWBWBKSA-N 0 0 445.994 6.526 50 10 IKCARN COc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1[N+](=O)[O-] ZINC000018154485 556685301 /nfs/dbraw/zinc/68/53/01/556685301.db2.gz NCUKGVAQQZZNPE-FQEVSTJZSA-N 0 0 436.855 5.107 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000018190554 556686162 /nfs/dbraw/zinc/68/61/62/556686162.db2.gz POOJOVDCRMEOOP-HAHDFKILSA-N 0 0 447.581 5.988 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2C)cc1 ZINC000005191100 556723439 /nfs/dbraw/zinc/72/34/39/556723439.db2.gz IAAIHWNIBYYIAO-BWAHOGKJSA-N 0 0 426.535 6.620 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1 ZINC000033924218 556732320 /nfs/dbraw/zinc/73/23/20/556732320.db2.gz IKTPLHUADXTZRD-PXNMLYILSA-N 0 0 425.453 5.128 50 10 IKCARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013810569 556743763 /nfs/dbraw/zinc/74/37/63/556743763.db2.gz LCCOTZRGEBYIAU-KEBDBYFISA-N 0 0 440.355 5.171 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1Cl ZINC000013810082 556744054 /nfs/dbraw/zinc/74/40/54/556744054.db2.gz QRSFRNVFHXOEHP-TTZSUPAZSA-N 0 0 438.818 5.090 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1ccccc1 ZINC000003286664 556808632 /nfs/dbraw/zinc/80/86/32/556808632.db2.gz LQZYUFDKZMDEBU-UHFFFAOYSA-N 0 0 426.611 5.665 50 10 IKCARN Cc1cc(C=C2NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000019631320 556832560 /nfs/dbraw/zinc/83/25/60/556832560.db2.gz PWDWKJLJCWMUEQ-WQRHYEAKSA-N 0 0 440.366 5.109 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000334160965 556837034 /nfs/dbraw/zinc/83/70/34/556837034.db2.gz PTTJNNZHONRYRV-PXNMLYILSA-N 0 0 425.362 5.273 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1 ZINC000033084484 556854660 /nfs/dbraw/zinc/85/46/60/556854660.db2.gz WDIBIFIXEGPSBW-UHFFFAOYSA-N 0 0 437.568 6.932 50 10 IKCARN CCOCCCNC(=O)c1ccc(-n2c(-c3cccc(OC)c3)cc3c2CCCCC3)cc1 ZINC000033114811 556861460 /nfs/dbraw/zinc/86/14/60/556861460.db2.gz SLHUDBQQKFBYQO-UHFFFAOYSA-N 0 0 446.591 5.578 50 10 IKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC[C@H]4CCCO4)cc2)CCCCC3)c1 ZINC000033114807 556861474 /nfs/dbraw/zinc/86/14/74/556861474.db2.gz OXVRVHSIPJKPCP-RUZDIDTESA-N 0 0 444.575 5.331 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=N)S1 ZINC000033149743 556878518 /nfs/dbraw/zinc/87/85/18/556878518.db2.gz ZARNVMHVZHOWIM-PWEWXPAOSA-N 0 0 430.892 5.404 50 10 IKCARN N=C1/C(=C/c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033157357 556878582 /nfs/dbraw/zinc/87/85/82/556878582.db2.gz MTGIYBKDKGFCEM-VZKFJVGXSA-N 0 0 444.947 5.494 50 10 IKCARN O=c1c2cc(Cl)cc(Cl)c2[nH]c2c1cc(Cl)c1c2C(=O)c2ccccc2C1=O ZINC000004705993 556888553 /nfs/dbraw/zinc/88/85/53/556888553.db2.gz SQAQTWYUQXFOMH-UHFFFAOYSA-N 0 0 428.658 5.829 50 10 IKCARN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000019791754 556915165 /nfs/dbraw/zinc/91/51/65/556915165.db2.gz PHUURGFDVKVSKZ-UHFFFAOYSA-N 0 0 447.453 5.912 50 10 biogenic IKCARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1/SC(=S)N(C)C1=O ZINC000019800027 556917330 /nfs/dbraw/zinc/91/73/30/556917330.db2.gz ZDXRDUUIYLUIBE-JSAVKQRWSA-N 0 0 436.627 5.797 50 10 IKCARN Cc1cccc(C)c1Nc1ccc(Nc2c(C)cccc2C)c2c1C(=O)c1ccccc1C2=O ZINC000016667059 556931704 /nfs/dbraw/zinc/93/17/04/556931704.db2.gz ROXADXZZIZDALU-UHFFFAOYSA-N 0 0 446.550 7.183 50 10 IKCARN Cc1ccc(S(=O)(=O)N(C)c2c(N)n(-c3ccccc3)nc2/N=N/c2ccccc2)cc1 ZINC000019927958 556945841 /nfs/dbraw/zinc/94/58/41/556945841.db2.gz UMPVWKROARIUIS-OCEACIFDSA-N 0 0 446.536 5.003 50 10 IKCARN CCCCN(CC)C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097956035 556959377 /nfs/dbraw/zinc/95/93/77/556959377.db2.gz XBGYTJWYNYVZIK-MSJHBLJNSA-N 0 0 432.446 5.745 50 10 IKCARN CN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2ccccc21 ZINC000020059391 556975517 /nfs/dbraw/zinc/97/55/17/556975517.db2.gz WFQBPECZQOGRBU-LTGZKZEYSA-N 0 0 428.919 5.891 50 10 IKCARN Cc1ccccc1OCCn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21 ZINC000020059491 556975573 /nfs/dbraw/zinc/97/55/73/556975573.db2.gz VDQKSJFCEYANPF-HYARGMPZSA-N 0 0 428.919 6.175 50 10 IKCARN CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 ZINC000020059381 556975599 /nfs/dbraw/zinc/97/55/99/556975599.db2.gz ZESJIUXBTHTUOH-XIEYBQDHSA-N 0 0 436.555 6.511 50 10 IKCARN Cc1cc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)ccc1Cl ZINC000020059379 556975600 /nfs/dbraw/zinc/97/56/00/556975600.db2.gz JBRGMNYWOMHUDW-PXLXIMEGSA-N 0 0 428.919 6.175 50 10 IKCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000015837875 556985591 /nfs/dbraw/zinc/98/55/91/556985591.db2.gz FAAVPBCAWNDDOG-QDLOHUEYSA-N 0 0 430.464 5.062 50 10 IKCARN O=C(Nc1cccc(N2Cc3ccccc3C2)c1)c1ccccc1SCc1ccccc1 ZINC000020436693 557016642 /nfs/dbraw/zinc/01/66/42/557016642.db2.gz NHORASMWPBGRBK-UHFFFAOYSA-N 0 0 436.580 6.751 50 10 IKCARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1 ZINC000111441219 557045263 /nfs/dbraw/zinc/04/52/63/557045263.db2.gz IIQKVBNNKZPKIC-JQYIIUTOSA-N 0 0 446.572 5.631 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 ZINC000023358630 557086963 /nfs/dbraw/zinc/08/69/63/557086963.db2.gz KLNVGBWTPQFILY-ODLFYWEKSA-N 0 0 446.380 6.655 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000023224623 557116085 /nfs/dbraw/zinc/11/60/85/557116085.db2.gz ITNBSKCOYHEVGG-DEOSSOPVSA-N 0 0 444.531 5.747 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccccc1 ZINC000033347623 557123071 /nfs/dbraw/zinc/12/30/71/557123071.db2.gz XYYZUIWONJLRLN-JCMHNJIXSA-N 0 0 433.554 5.680 50 10 IKCARN Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(Br)cn32)cc1 ZINC000004793983 557126104 /nfs/dbraw/zinc/12/61/04/557126104.db2.gz RGGAUOFTKMEVOW-UHFFFAOYSA-N 0 0 447.130 6.171 50 10 IKCARN O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000000713141 557145049 /nfs/dbraw/zinc/14/50/49/557145049.db2.gz WKHHQLYYQNVCOK-VVIORFSUSA-N 0 0 445.946 5.533 50 10 IKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000095929198 557161655 /nfs/dbraw/zinc/16/16/55/557161655.db2.gz RWYCNUXYYDFBSO-ZDUSSCGKSA-N 0 0 425.282 5.580 50 10 IKCARN COc1cc2c(cc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC)oc1ccccc12 ZINC000011619502 557212770 /nfs/dbraw/zinc/21/27/70/557212770.db2.gz TTYYHYHCXJDNKB-UHFFFAOYSA-N 0 0 440.883 5.316 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccncc2)C[C@H](C)CC3)c(OC)c1 ZINC000000798223 557213223 /nfs/dbraw/zinc/21/32/23/557213223.db2.gz YVAVYAYPSWUGNI-OAHLLOKOSA-N 0 0 437.565 5.150 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccccn2)C[C@@H](C)CC3)c(OC)c1 ZINC000000798220 557213290 /nfs/dbraw/zinc/21/32/90/557213290.db2.gz YCCDOUZBZQDSCM-HNNXBMFYSA-N 0 0 437.565 5.150 50 10 IKCARN CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025559542 557214432 /nfs/dbraw/zinc/21/44/32/557214432.db2.gz KBTPBDVRURBDLC-LADGPHEKSA-N 0 0 448.364 5.757 50 10 IKCARN CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025559537 557214468 /nfs/dbraw/zinc/21/44/68/557214468.db2.gz KBTPBDVRURBDLC-UPVQGACJSA-N 0 0 448.364 5.757 50 10 IKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000025581285 557216250 /nfs/dbraw/zinc/21/62/50/557216250.db2.gz GWAQBXYMGYFLLM-CJLVFECKSA-N 0 0 447.629 6.239 50 10 IKCARN Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000101060430 557218945 /nfs/dbraw/zinc/21/89/45/557218945.db2.gz FUPPOJVVPYHIHF-JOCHJYFZSA-N 0 0 441.369 6.643 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101077972 557226780 /nfs/dbraw/zinc/22/67/80/557226780.db2.gz RVZQWKOYOMOKKZ-XNTDXEJSSA-N 0 0 427.327 5.086 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000100148259 557243161 /nfs/dbraw/zinc/24/31/61/557243161.db2.gz LNZNGTZSGXLGGJ-FYJGNVAPSA-N 0 0 437.326 6.379 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000026686989 557246479 /nfs/dbraw/zinc/24/64/79/557246479.db2.gz BDGVJRKAMQMRAU-KELUXRKGSA-N 0 0 436.514 5.817 50 10 IKCARN O=C(c1ccccc1)c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000018191789 557247008 /nfs/dbraw/zinc/24/70/08/557247008.db2.gz MZVQOXXOYMREOO-QNEJGDQOSA-N 0 0 428.495 7.390 50 10 IKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000027018210 557254582 /nfs/dbraw/zinc/25/45/82/557254582.db2.gz DONWYLRIMUCXPW-NDENLUEZSA-N 0 0 437.565 5.536 50 10 IKCARN CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(C(C)(C)C)c1O ZINC000027019971 557254886 /nfs/dbraw/zinc/25/48/86/557254886.db2.gz ULJUCQGJOWHBHF-PDGQHHTCSA-N 0 0 429.607 5.982 50 10 IKCARN O=C1/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000027061408 557256140 /nfs/dbraw/zinc/25/61/40/557256140.db2.gz AEGRPEZBLVBOQF-VDWVRRCTSA-N 0 0 435.570 5.127 50 10 IKCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc5ccccc54)N=C3C)sc2c1 ZINC000101114337 557256675 /nfs/dbraw/zinc/25/66/75/557256675.db2.gz NAZFCJITAOKFML-XMHGGMMESA-N 0 0 428.517 5.567 50 10 IKCARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNc2ccc(Cl)cc2)cc1 ZINC000100424599 557260485 /nfs/dbraw/zinc/26/04/85/557260485.db2.gz IDMDGOKZBTWRNC-KGENOOAVSA-N 0 0 448.866 5.004 50 10 IKCARN CC(Nc1cccc(OC(F)(F)F)c1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100423135 557260558 /nfs/dbraw/zinc/26/05/58/557260558.db2.gz GSJCDBXPVSBGGL-BOPFTXTBSA-N 0 0 432.427 5.304 50 10 IKCARN O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000101406122 557284122 /nfs/dbraw/zinc/28/41/22/557284122.db2.gz WKHHQLYYQNVCOK-MCEIDBOGSA-N 0 0 445.946 5.533 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000103646677 557317663 /nfs/dbraw/zinc/31/76/63/557317663.db2.gz RVZQWKOYOMOKKZ-GDNBJRDFSA-N 0 0 427.327 5.086 50 10 IKCARN CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000102487532 557331356 /nfs/dbraw/zinc/33/13/56/557331356.db2.gz SVVYYRVASAXYKX-AREMUKBSSA-N 0 0 433.596 6.727 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000033417756 557340276 /nfs/dbraw/zinc/34/02/76/557340276.db2.gz MLNPKXOTFKYHIQ-ZQCYNNBZSA-N 0 0 441.560 5.417 50 10 IKCARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000014610847 557345398 /nfs/dbraw/zinc/34/53/98/557345398.db2.gz FDQOHJHXOFJROF-UHFFFAOYSA-N 0 0 443.551 5.202 50 10 IKCARN COc1ccc(-n2c(CCC(=O)N3CCC(C)CC3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023335226 557349979 /nfs/dbraw/zinc/34/99/79/557349979.db2.gz IBPCDOHEDXTXQM-UHFFFAOYSA-N 0 0 436.983 5.997 50 10 IKCARN CCN(CCOC)C(=O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000023335052 557350016 /nfs/dbraw/zinc/35/00/16/557350016.db2.gz AXMREHUKLQDYSB-UHFFFAOYSA-N 0 0 440.971 5.234 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000013562255 557352975 /nfs/dbraw/zinc/35/29/75/557352975.db2.gz XHUJUZMMNHEFPO-FRQCXROJSA-N 0 0 432.261 5.334 50 10 IKCARN COc1ccc(-n2c(CCC(=O)NCc3ccccn3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023456319 557362685 /nfs/dbraw/zinc/36/26/85/557362685.db2.gz MVXHJLNOUYZOMI-UHFFFAOYSA-N 0 0 445.950 5.450 50 10 IKCARN CN(C)c1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000023477246 557363210 /nfs/dbraw/zinc/36/32/10/557363210.db2.gz XPSZFIULZVENTR-ONEGZZNKSA-N 0 0 447.573 5.451 50 10 IKCARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc(N4CCCCC4)cc3)nc(=O)c2c1C ZINC000023779096 557375555 /nfs/dbraw/zinc/37/55/55/557375555.db2.gz AHTKBIHLDPQUGT-VBKFSLOCSA-N 0 0 443.956 5.219 50 10 IKCARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1OC ZINC000102719746 557375765 /nfs/dbraw/zinc/37/57/65/557375765.db2.gz RKIUPKCDMPZRHJ-IQMFZBJNSA-N 0 0 448.475 5.019 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000100233061 557377592 /nfs/dbraw/zinc/37/75/92/557377592.db2.gz LRYZFMWPIDLTPZ-FYJGNVAPSA-N 0 0 432.907 5.734 50 10 IKCARN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1C1CCCCC1 ZINC000033441726 557398635 /nfs/dbraw/zinc/39/86/35/557398635.db2.gz GGBDIZAQGBJJDN-UUASQNMZSA-N 0 0 440.373 5.634 50 10 IKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1Br ZINC000100325931 557399679 /nfs/dbraw/zinc/39/96/79/557399679.db2.gz WJUHLKNUFWFHQM-LFIBNONCSA-N 0 0 429.314 5.053 50 10 IKCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000100503792 557411354 /nfs/dbraw/zinc/41/13/54/557411354.db2.gz XSYIOOJRVOAIDU-GZTJUZNOSA-N 0 0 442.258 5.968 50 10 IKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 ZINC000102975377 557414599 /nfs/dbraw/zinc/41/45/99/557414599.db2.gz ATXKHFUYBJMLAL-REJRFELZSA-N 0 0 438.796 6.997 50 10 IKCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000103504211 557438064 /nfs/dbraw/zinc/43/80/64/557438064.db2.gz KOJRGVYMXUKPKZ-HYARGMPZSA-N 0 0 448.906 5.971 50 10 IKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1cccs1 ZINC000103562682 557438911 /nfs/dbraw/zinc/43/89/11/557438911.db2.gz RWCIOJVTDOHHSH-JXFKEZNVSA-N 0 0 427.323 5.459 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c1 ZINC000103562854 557438994 /nfs/dbraw/zinc/43/89/94/557438994.db2.gz ZJCDYTJRXLMTPK-UGKGYDQZSA-N 0 0 436.309 5.100 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000103850795 557442140 /nfs/dbraw/zinc/44/21/40/557442140.db2.gz PJOBTQFLMOYSBO-CPNJWEJPSA-N 0 0 426.310 5.025 50 10 IKCARN CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000016156308 557471719 /nfs/dbraw/zinc/47/17/19/557471719.db2.gz RMZOEKQFTIHGQR-GZTJUZNOSA-N 0 0 429.314 5.053 50 10 IKCARN CCOc1ccc(-c2nc(COC(=O)[C@@H](CC)Cc3ccc(N)cc3)cs2)cc1OC ZINC000225613508 557752153 /nfs/dbraw/zinc/75/21/53/557752153.db2.gz YDMWATHZXWZWIT-KRWDZBQOSA-N 0 0 440.565 5.112 50 10 IKCARN CCOc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)cc1 ZINC000002909660 562930461 /nfs/dbraw/zinc/93/04/61/562930461.db2.gz MMHRRDBCDMVRKO-UHFFFAOYSA-N 0 0 426.607 6.342 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@@H](C)C3)c(OC)c1 ZINC000002909520 562930468 /nfs/dbraw/zinc/93/04/68/562930468.db2.gz VMNPQFWQMWXCCL-CQSZACIVSA-N 0 0 442.606 5.816 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCC2 ZINC000002909510 562930500 /nfs/dbraw/zinc/93/05/00/562930500.db2.gz CARFOZSNCIVRDD-UHFFFAOYSA-N 0 0 447.025 6.523 50 10 IKCARN COc1ccc([C@@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000006405683 562946687 /nfs/dbraw/zinc/94/66/87/562946687.db2.gz MZGLFQDAHATKPL-JOCHJYFZSA-N 0 0 448.906 5.130 50 10 IKCARN Clc1ccc2nc(-c3ccc(Br)o3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000008596436 562953858 /nfs/dbraw/zinc/95/38/58/562953858.db2.gz OKBVZQUWKRFCLM-UHFFFAOYSA-N 0 0 446.688 5.525 50 10 IKCARN CCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000008598900 562954505 /nfs/dbraw/zinc/95/45/05/562954505.db2.gz QUZQVRXYSCGYIZ-UHFFFAOYSA-N 0 0 438.365 6.461 50 10 IKCARN Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)nc3c2)cc1 ZINC000008666840 562960565 /nfs/dbraw/zinc/96/05/65/562960565.db2.gz RWRLGYYQFKUVIX-UHFFFAOYSA-N 0 0 434.455 6.247 50 10 IKCARN N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000008691120 562963403 /nfs/dbraw/zinc/96/34/03/562963403.db2.gz NGVUEBALZWISSV-SCORJZKRSA-N 0 0 431.904 5.904 50 10 aggregator IKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21 ZINC000009075649 562966966 /nfs/dbraw/zinc/96/69/66/562966966.db2.gz IGVTUOUWEWKZBH-CQSZACIVSA-N 0 0 428.326 5.303 50 10 IKCARN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1 ZINC000019793030 563023014 /nfs/dbraw/zinc/02/30/14/563023014.db2.gz PXAKFKCEIAOBHO-UHFFFAOYSA-N 0 0 447.453 5.858 50 10 IKCARN [O-]c1c([C@@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000019879785 563023276 /nfs/dbraw/zinc/02/32/76/563023276.db2.gz OOEAPXRETVROJS-SANMLTNESA-N 0 0 443.978 6.033 50 10 IKCARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000000944547 568643087 /nfs/dbraw/zinc/64/30/87/568643087.db2.gz HJLUHGHXBHRWLU-UHFFFAOYSA-N 0 0 433.529 5.842 50 10 IKCARN O=C1C(=Cc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000000982329 568648808 /nfs/dbraw/zinc/64/88/08/568648808.db2.gz IAFRHJSSHITIID-UHFFFAOYSA-N 0 0 437.282 5.577 50 10 IKCARN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000001022888 568653265 /nfs/dbraw/zinc/65/32/65/568653265.db2.gz NUXIULFPJVAFPI-IMAQQZIHSA-N 0 0 447.376 5.854 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S ZINC000001186002 568736198 /nfs/dbraw/zinc/73/61/98/568736198.db2.gz NDBFLRAIAAFRPF-BOPFTXTBSA-N 0 0 434.380 5.249 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000001196417 568736678 /nfs/dbraw/zinc/73/66/78/568736678.db2.gz MNPUJEFJBXTBHX-UNOMPAQXSA-N 0 0 438.486 5.269 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 ZINC000001206362 568737167 /nfs/dbraw/zinc/73/71/67/568737167.db2.gz HAVSHCATMXTJOJ-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN COc1ccc(C(=O)c2sc(Nc3ccccc3)c(-c3nc4ccccc4[nH]3)c2N)cc1 ZINC000006016649 568740222 /nfs/dbraw/zinc/74/02/22/568740222.db2.gz FPPUICORPBSMAW-UHFFFAOYSA-N 0 0 440.528 5.857 50 10 IKCARN O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(O)cc1 ZINC000001800071 568740427 /nfs/dbraw/zinc/74/04/27/568740427.db2.gz GEGURYGYBXUCPO-XDJHFCHBSA-N 0 0 426.563 5.428 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001217335 568740670 /nfs/dbraw/zinc/74/06/70/568740670.db2.gz LTOZCBCEOVTDCV-WQRHYEAKSA-N 0 0 448.972 5.272 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21)CC(C)C ZINC000001808391 568740852 /nfs/dbraw/zinc/74/08/52/568740852.db2.gz XWSRYNYEWLNGLA-UHFFFAOYSA-N 0 0 448.390 6.586 50 10 IKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000001217965 568740858 /nfs/dbraw/zinc/74/08/58/568740858.db2.gz NYPQRJCJTXSZIU-PXNMLYILSA-N 0 0 437.373 5.223 50 10 IKCARN CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001217936 568740867 /nfs/dbraw/zinc/74/08/67/568740867.db2.gz MYYVNUAGAPNIIK-JXAWBTAJSA-N 0 0 444.647 5.167 50 10 IKCARN Cc1cc(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c(C)n1-c1ccc(C)cc1 ZINC000003358159 568747189 /nfs/dbraw/zinc/74/71/89/568747189.db2.gz VFCYCANEMNNHBJ-UHFFFAOYSA-N 0 0 441.527 5.606 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccco2)cc1 ZINC000044086189 568747574 /nfs/dbraw/zinc/74/75/74/568747574.db2.gz NWVDWIHNAOPYTG-UHFFFAOYSA-N 0 0 429.545 5.181 50 10 IKCARN O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)N1CCCC1 ZINC000044086362 568747929 /nfs/dbraw/zinc/74/79/29/568747929.db2.gz DIZPKYXEMACYEB-UHFFFAOYSA-N 0 0 446.403 5.620 50 10 IKCARN Cc1cc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003389921 568748385 /nfs/dbraw/zinc/74/83/85/568748385.db2.gz FWGSMQQKPDTXND-JOCHJYFZSA-N 0 0 449.507 5.135 50 10 IKCARN CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000003768792 568754442 /nfs/dbraw/zinc/75/44/42/568754442.db2.gz NOFRSBAOUSNEKD-HZHRSRAPSA-N 0 0 433.598 6.651 50 10 IKCARN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(Br)cc1 ZINC000003768718 568754458 /nfs/dbraw/zinc/75/44/58/568754458.db2.gz CODJMGYKSUXFOW-LDADJPATSA-N 0 0 426.360 6.008 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000003768151 568754459 /nfs/dbraw/zinc/75/44/59/568754459.db2.gz SSRTYUWOWSPNHH-LDADJPATSA-N 0 0 436.524 5.957 50 10 IKCARN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000003768898 568754471 /nfs/dbraw/zinc/75/44/71/568754471.db2.gz KJKMOWKQEIPSQY-UDWIEESQSA-N 0 0 443.952 6.437 50 10 IKCARN CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000003771148 568754598 /nfs/dbraw/zinc/75/45/98/568754598.db2.gz FNRGCAIZZLGPBB-UHFFFAOYSA-N 0 0 442.895 5.071 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC000001251358 568775100 /nfs/dbraw/zinc/77/51/00/568775100.db2.gz GPGRJNRGDXNHRD-HNNXBMFYSA-N 0 0 434.561 5.570 50 10 IKCARN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1C ZINC000001267963 568775652 /nfs/dbraw/zinc/77/56/52/568775652.db2.gz AHINJVLHHQCQTN-DWVIGKKNSA-N 0 0 436.602 5.480 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000001300940 568778945 /nfs/dbraw/zinc/77/89/45/568778945.db2.gz FNDRBZHVJIXFFF-LZYBPNLTSA-N 0 0 425.453 5.128 50 10 IKCARN CCOC(=O)c1ccc(/N=N/c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 ZINC000032099449 568780703 /nfs/dbraw/zinc/78/07/03/568780703.db2.gz WKISHZXAHUFJNQ-GHVJWSGMSA-N 0 0 427.302 5.844 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1 ZINC000001403921 568786908 /nfs/dbraw/zinc/78/69/08/568786908.db2.gz BQLJPYOBRIVFNA-UHFFFAOYSA-N 0 0 449.923 6.094 50 10 IKCARN Cc1ccc(CN2c3ccccc3/C(=C3/SC(=S)N(C4CCCCC4)C3=O)C2=O)cc1 ZINC000016729784 568792342 /nfs/dbraw/zinc/79/23/42/568792342.db2.gz UVWQHKKSKHQNRX-DQRAZIAOSA-N 0 0 448.613 5.446 50 10 IKCARN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C)c1-c1ccc(N(C)C)cc1 ZINC000085393730 568817070 /nfs/dbraw/zinc/81/70/70/568817070.db2.gz QENLQSXHGHSHNR-UHFFFAOYSA-N 0 0 429.520 5.159 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21)CC(C)C ZINC000001448217 568817486 /nfs/dbraw/zinc/81/74/86/568817486.db2.gz GVMZZRGYXTXWBK-UHFFFAOYSA-N 0 0 437.536 5.051 50 10 IKCARN Oc1ccccc1C1=NN(c2nc(-c3cccc(Cl)c3)cs2)[C@@H](c2ccccc2)C1 ZINC000085404550 568817653 /nfs/dbraw/zinc/81/76/53/568817653.db2.gz LICXIRHFAUCPNO-JOCHJYFZSA-N 0 0 431.948 6.525 50 10 IKCARN CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000035111467 568820595 /nfs/dbraw/zinc/82/05/95/568820595.db2.gz IDCXHNCSAXMZOH-DEOSSOPVSA-N 0 0 429.520 5.561 50 10 IKCARN Cc1nn(-c2ccccc2I)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 ZINC000017070450 568828635 /nfs/dbraw/zinc/82/86/35/568828635.db2.gz DUPWKGBRMFGQLT-FMQUCBEESA-N 0 0 447.236 5.417 50 10 IKCARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000101854355 568837207 /nfs/dbraw/zinc/83/72/07/568837207.db2.gz XKVSHNLQIOZNHH-DPLHUUCSSA-N 0 0 445.906 6.327 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=N)S1 ZINC000015837953 568844434 /nfs/dbraw/zinc/84/44/34/568844434.db2.gz LUUPUOVNQVZGFM-LCQIMXFNSA-N 0 0 436.512 5.214 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)C2=N)S1 ZINC000015837887 568844491 /nfs/dbraw/zinc/84/44/91/568844491.db2.gz OJUMPCYDXXQICW-QGUUBAPPSA-N 0 0 436.512 5.214 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363139 568866298 /nfs/dbraw/zinc/86/62/98/568866298.db2.gz GKGXRKGMHJWPCX-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363130 568866396 /nfs/dbraw/zinc/86/63/96/568866396.db2.gz PZCUTXVCEGUPQG-WNCULLNHSA-N 0 0 446.547 5.421 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1 ZINC000053363037 568866411 /nfs/dbraw/zinc/86/64/11/568866411.db2.gz LUORFBZPFSYLMJ-IRLDBZIGSA-N 0 0 425.301 5.516 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362941 568866440 /nfs/dbraw/zinc/86/64/40/568866440.db2.gz IPRWOGKLDASVPD-FYYLOGMGSA-N 0 0 427.331 5.930 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363408 568866573 /nfs/dbraw/zinc/86/65/73/568866573.db2.gz FUBNFRSZFRLGMW-IFMALSPDSA-N 0 0 441.756 6.031 50 10 IKCARN COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363337 568866596 /nfs/dbraw/zinc/86/65/96/568866596.db2.gz NFHPFWJZHOBQBV-GGAORHGYSA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053363359 568866598 /nfs/dbraw/zinc/86/65/98/568866598.db2.gz GOKPNPFDVOSOHR-GJZUVCINSA-N 0 0 432.520 5.031 50 10 IKCARN COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000053363284 568866638 /nfs/dbraw/zinc/86/66/38/568866638.db2.gz BCQGOQYNAFJDPU-CYFREDJKSA-N 0 0 436.895 5.005 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363413 568866641 /nfs/dbraw/zinc/86/66/41/568866641.db2.gz FUBNFRSZFRLGMW-IRLDBZIGSA-N 0 0 441.756 6.031 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363410 568866666 /nfs/dbraw/zinc/86/66/66/568866666.db2.gz FUBNFRSZFRLGMW-RBBKRZOGSA-N 0 0 441.756 6.031 50 10 IKCARN COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363346 568866670 /nfs/dbraw/zinc/86/66/70/568866670.db2.gz KSGPNRNCZNNXLW-GMAHTHKFSA-N 0 0 437.337 5.386 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3OCC)N2)c1O ZINC000053364416 568866811 /nfs/dbraw/zinc/86/68/11/568866811.db2.gz TVJMNNXMASTRCB-KCWPFWIISA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363943 568866844 /nfs/dbraw/zinc/86/68/44/568866844.db2.gz IQUBAFHBMQDCMU-QPPBQGQZSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364165 568866846 /nfs/dbraw/zinc/86/68/46/568866846.db2.gz WDFGHHHKGNIZRS-OZXSUGGESA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364132 568866905 /nfs/dbraw/zinc/86/69/05/568866905.db2.gz QQZOYEFPKOLNDN-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN Cc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365002 568867039 /nfs/dbraw/zinc/86/70/39/568867039.db2.gz ZMWXTZUJNUJDKV-GMAHTHKFSA-N 0 0 439.328 5.825 50 10 IKCARN COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364864 568867120 /nfs/dbraw/zinc/86/71/20/568867120.db2.gz OACJIYZHCYNRCN-GGAORHGYSA-N 0 0 427.331 5.930 50 10 IKCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000585152325 568872890 /nfs/dbraw/zinc/87/28/90/568872890.db2.gz PKZBZCHMWDPKNX-WOJGMQOQSA-N 0 0 435.332 5.088 50 10 IKCARN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000016195131 568875530 /nfs/dbraw/zinc/87/55/30/568875530.db2.gz RNDUVUOEOQNPKG-FGSXEWAUSA-N 0 0 436.349 6.446 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000006194050 568876649 /nfs/dbraw/zinc/87/66/49/568876649.db2.gz RNGIVYLKBRLNGH-GREBRCKQSA-N 0 0 437.324 6.579 50 10 IKCARN O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000016406694 568888030 /nfs/dbraw/zinc/88/80/30/568888030.db2.gz YVKUMFSZMLLNJL-HMAPJEAMSA-N 0 0 433.554 5.333 50 10 IKCARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000001747770 568904208 /nfs/dbraw/zinc/90/42/08/568904208.db2.gz MGUUABJEBUCWQP-UHFFFAOYSA-N 0 0 448.390 6.875 50 10 IKCARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000001747758 568904223 /nfs/dbraw/zinc/90/42/23/568904223.db2.gz OVVQTRSDSVWPLS-UHFFFAOYSA-N 0 0 447.497 6.587 50 10 IKCARN O=C1c2cc3ccccc3cc2C(=O)[C@@H]2C[C@@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@@H]3C[C@@H]12 ZINC000101094105 568904967 /nfs/dbraw/zinc/90/49/67/568904967.db2.gz RSFWPFAWCIUFIO-POTDNYQPSA-N 0 0 444.486 5.710 50 10 IKCARN O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccccc1O ZINC000001800065 568908483 /nfs/dbraw/zinc/90/84/83/568908483.db2.gz OGWSKQWRQYNKCW-XDJHFCHBSA-N 0 0 426.563 5.428 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000059267196 568909394 /nfs/dbraw/zinc/90/93/94/568909394.db2.gz HDILAOFDMAEPHF-SIFCLUCFSA-N 0 0 445.313 5.509 50 10 IKCARN CN(C)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1Br ZINC000001874490 568917181 /nfs/dbraw/zinc/91/71/81/568917181.db2.gz GEBLKFDINOEXGN-QFIPXVFZSA-N 0 0 433.349 5.930 50 10 IKCARN CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000003458318 568917996 /nfs/dbraw/zinc/91/79/96/568917996.db2.gz NUEXFXAJNSWXCT-UHFFFAOYSA-N 0 0 431.319 5.621 50 10 IKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000001913325 568922520 /nfs/dbraw/zinc/92/25/20/568922520.db2.gz LHPXLWFPHHVYOG-UHFFFAOYSA-N 0 0 449.469 5.815 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000016694426 568938939 /nfs/dbraw/zinc/93/89/39/568938939.db2.gz FEAAUPDJOGRYSS-HAHDFKILSA-N 0 0 447.332 5.834 50 10 IKCARN O=C(N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1cccs1)c1ccccc1 ZINC000027025952 568939494 /nfs/dbraw/zinc/93/94/94/568939494.db2.gz AGNUJDCJDFHAOY-RVGLIBJPSA-N 0 0 440.528 6.214 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000006645266 568943696 /nfs/dbraw/zinc/94/36/96/568943696.db2.gz JOQOMEBVDOAGQB-XDHOZWIPSA-N 0 0 438.486 5.269 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)C1 ZINC000006782099 568985213 /nfs/dbraw/zinc/98/52/13/568985213.db2.gz CHWPIYMLBVFBHN-SWYRRKHMSA-N 0 0 426.604 6.578 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064978181 569077697 /nfs/dbraw/zinc/07/76/97/569077697.db2.gz PZWMARLYSLDCDK-UHFFFAOYSA-N 0 0 449.554 5.227 50 10 IKCARN CCOc1ccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)cc1 ZINC000013575467 569155763 /nfs/dbraw/zinc/15/57/63/569155763.db2.gz LCGUZUKKTMEFNZ-UHFFFAOYSA-N 0 0 446.528 5.292 50 10 IKCARN Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(Cl)cc3)sc2nc1-c1ccccc1 ZINC000013575497 569155877 /nfs/dbraw/zinc/15/58/77/569155877.db2.gz CIBDHRUNEJWFKA-UHFFFAOYSA-N 0 0 436.920 5.547 50 10 IKCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000014186273 569158025 /nfs/dbraw/zinc/15/80/25/569158025.db2.gz MNMRDHYUXWCWFH-UMFSSWHCSA-N 0 0 442.515 6.317 50 10 IKCARN COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000000871799 569176310 /nfs/dbraw/zinc/17/63/10/569176310.db2.gz MEFSZRVSQIJVBG-BIENJYKASA-N 0 0 433.289 5.135 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000002367709 569180779 /nfs/dbraw/zinc/18/07/79/569180779.db2.gz RXTNFGXKMQIACF-CTFRJJSNSA-N 0 0 437.565 5.678 50 10 IKCARN COc1cc(OC)c(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1Cl ZINC000002115460 569182441 /nfs/dbraw/zinc/18/24/41/569182441.db2.gz GWCPQEWEZVDKBX-UHFFFAOYSA-N 0 0 437.879 5.282 50 10 biogenic IKCARN CC1CCN(S(=O)(=O)c2ccc(NN=C3C=C(Cl)C=C(Cl)C3=O)cc2)CC1 ZINC000252461014 569184549 /nfs/dbraw/zinc/18/45/49/569184549.db2.gz JVZPHHWDRXKEAC-UHFFFAOYSA-N 0 0 428.341 5.535 50 10 IKCARN CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O ZINC000252460428 569184409 /nfs/dbraw/zinc/18/44/09/569184409.db2.gz FGUBBLHEWXWDBO-UHFFFAOYSA-N 0 0 426.476 5.431 50 10 IKCARN O=C1/C(=C/c2cccc(Br)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000252510702 569188598 /nfs/dbraw/zinc/18/85/98/569188598.db2.gz ZOPWXUBEVNWZIC-XSFVSMFZSA-N 0 0 448.276 5.192 50 10 IKCARN CCOC(=O)c1c(N=Nc2ccc(C)cc2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2 ZINC000252591209 569192611 /nfs/dbraw/zinc/19/26/11/569192611.db2.gz AZAIFBZRGMNSJW-UHFFFAOYSA-N 0 0 433.508 5.937 50 10 IKCARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 ZINC000002208608 569194041 /nfs/dbraw/zinc/19/40/41/569194041.db2.gz WVTGUENBQUAVEO-UYRXBGFRSA-N 0 0 445.009 5.577 50 10 IKCARN CCCCOc1cc(Cl)cc(OCCCC)c1N=Nc1c(O)ccc2ccccc21 ZINC000252635709 569207925 /nfs/dbraw/zinc/20/79/25/569207925.db2.gz WZSAVAUIANEGDF-UHFFFAOYSA-N 0 0 426.944 7.972 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000027472543 569214030 /nfs/dbraw/zinc/21/40/30/569214030.db2.gz SRYSAXPLFOQZOX-UNOMPAQXSA-N 0 0 427.934 6.014 50 10 IKCARN CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OCC ZINC000002259233 569215433 /nfs/dbraw/zinc/21/54/33/569215433.db2.gz ANLSPZCXHGOZOC-JWGURIENSA-N 0 0 446.934 5.972 50 10 IKCARN CCOC(=O)c1cc(-c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)nc2ccccc21 ZINC000027495895 569215640 /nfs/dbraw/zinc/21/56/40/569215640.db2.gz UYVRGLLRTRAYKQ-KTMFPKCZSA-N 0 0 447.494 7.353 50 10 IKCARN COCCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000002280132 569218048 /nfs/dbraw/zinc/21/80/48/569218048.db2.gz XWFNSAWEHPPCQC-YBEGLDIGSA-N 0 0 428.362 5.491 50 10 IKCARN COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000027521753 569218687 /nfs/dbraw/zinc/21/86/87/569218687.db2.gz SACDNYBJTCKUEA-JCMHNJIXSA-N 0 0 442.515 5.164 50 10 IKCARN Cc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(Cl)c2C)cc1C ZINC000027521781 569218733 /nfs/dbraw/zinc/21/87/33/569218733.db2.gz DPQJRUNKHBGFJJ-MTJSOVHGSA-N 0 0 444.918 5.828 50 10 IKCARN COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cc(C)cc(C)c2)C1=O ZINC000027521766 569218785 /nfs/dbraw/zinc/21/87/85/569218785.db2.gz AGTUWZCEJODYPP-JCMHNJIXSA-N 0 0 442.515 5.164 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S ZINC000027527891 569263498 /nfs/dbraw/zinc/26/34/98/569263498.db2.gz LRKCTZSXPSJAKR-AQTBWJFISA-N 0 0 436.023 5.732 50 10 IKCARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1ccc(I)o1)N2 ZINC000002283402 569263754 /nfs/dbraw/zinc/26/37/54/569263754.db2.gz JPIPREULRGGIBP-QGZVFWFLSA-N 0 0 425.310 5.982 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000239309231 569268730 /nfs/dbraw/zinc/26/87/30/569268730.db2.gz HIMBFNXQVZJWIJ-VSALZBCGSA-N 0 0 442.515 5.666 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000239433300 569269080 /nfs/dbraw/zinc/26/90/80/569269080.db2.gz XMOGORDPIWNJPL-PLNGWDEDSA-N 0 0 446.388 6.546 50 10 IKCARN CN(Cc1ccccc1)c1cc(Nc2ccccc2)c2c3c1noc3-c1ccccc1C2=O ZINC000002304852 569271641 /nfs/dbraw/zinc/27/16/41/569271641.db2.gz HPMVRUWBQGLIQX-UHFFFAOYSA-N 0 0 431.495 6.419 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000027549215 569271798 /nfs/dbraw/zinc/27/17/98/569271798.db2.gz XXGLWACDJRQOTP-OOYUFVOFSA-N 0 0 426.929 5.718 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=N)S1 ZINC000027549218 569271864 /nfs/dbraw/zinc/27/18/64/569271864.db2.gz UVQWXCPFSYQVFN-ULZKCLHWSA-N 0 0 430.892 5.548 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccccc1 ZINC000002321612 569274168 /nfs/dbraw/zinc/27/41/68/569274168.db2.gz ZFWKJNOJPFOTCQ-PDGQHHTCSA-N 0 0 442.359 6.115 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000002332565 569274677 /nfs/dbraw/zinc/27/46/77/569274677.db2.gz JDXZMWHONBNVRE-CTFRJJSNSA-N 0 0 434.026 7.018 50 10 IKCARN COc1ccc(CN2CC[C@@H](c3ccccc3F)Sc3cc(OC)ccc32)c(O)c1 ZINC000299769129 569283648 /nfs/dbraw/zinc/28/36/48/569283648.db2.gz NITYCNUOWZMGNX-QHCPKHFHSA-N 0 0 425.525 5.792 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21)CC(C)C ZINC000008902464 569292223 /nfs/dbraw/zinc/29/22/23/569292223.db2.gz FHCOREAFQINNRA-UHFFFAOYSA-N 0 0 433.552 5.166 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)c(Cc3ccc(Cl)nc3)c(C)n2n1 ZINC000008925729 569292472 /nfs/dbraw/zinc/29/24/72/569292472.db2.gz PFXDESBRCCBPQL-UHFFFAOYSA-N 0 0 447.995 6.121 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000002381784 569292723 /nfs/dbraw/zinc/29/27/23/569292723.db2.gz XCXJVQOKZVYAGE-JXAWBTAJSA-N 0 0 430.620 5.457 50 10 IKCARN COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC ZINC000002388097 569295481 /nfs/dbraw/zinc/29/54/81/569295481.db2.gz HRWHCXTYVDWLDR-DHDCSXOGSA-N 0 0 425.453 5.128 50 10 IKCARN COc1ccccc1Oc1c(C)oc2c(ccc([O-])c2C[N@H+](C)Cc2ccccc2)c1=O ZINC000002419074 569301792 /nfs/dbraw/zinc/30/17/92/569301792.db2.gz HOZBPQCXNCLROF-UHFFFAOYSA-N 0 0 431.488 5.240 50 10 biogenic IKCARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)coc32)C1 ZINC000002437346 569303960 /nfs/dbraw/zinc/30/39/60/569303960.db2.gz WBNYNVXJNQVMBN-CQSZACIVSA-N 0 0 444.325 5.285 50 10 IKCARN O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2Cl)N1c1nccs1 ZINC000002441011 569304160 /nfs/dbraw/zinc/30/41/60/569304160.db2.gz WNKIYNFXTURWJI-VIZOYTHASA-N 0 0 444.299 5.013 50 10 IKCARN COc1cccc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)c1OC ZINC000002444419 569304395 /nfs/dbraw/zinc/30/43/95/569304395.db2.gz PFLQXVZPPGZHEZ-NVNXTCNLSA-N 0 0 442.846 5.458 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O ZINC000002447473 569304508 /nfs/dbraw/zinc/30/45/08/569304508.db2.gz CBKCFDVYEDAZPJ-CHHVJCJISA-N 0 0 445.871 5.479 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013148394 569312066 /nfs/dbraw/zinc/31/20/66/569312066.db2.gz BAVLLZDVNMOAHW-UHFFFAOYSA-N 0 0 427.456 5.016 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)c(C)n1-c1ccc(C)cc1 ZINC000013150487 569312340 /nfs/dbraw/zinc/31/23/40/569312340.db2.gz WZOMQLAMXRCSFX-UHFFFAOYSA-N 0 0 438.527 5.479 50 10 IKCARN N=C1/C(=C/c2ccc(OCCSc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN21 ZINC000020032277 569332452 /nfs/dbraw/zinc/33/24/52/569332452.db2.gz QQQJHEWAAPGRQL-OMLAYDHKSA-N 0 0 441.965 5.288 50 10 IKCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000020036340 569332712 /nfs/dbraw/zinc/33/27/12/569332712.db2.gz VJBYHKMQEMONAJ-YDZHTSKRSA-N 0 0 431.511 5.251 50 10 IKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cc(Br)cs1 ZINC000020070682 569333356 /nfs/dbraw/zinc/33/33/56/569333356.db2.gz DGJYLXISDVTZMJ-OXJNMPFZSA-N 0 0 427.323 5.459 50 10 IKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccs1 ZINC000020070772 569333435 /nfs/dbraw/zinc/33/34/35/569333435.db2.gz RWCIOJVTDOHHSH-OXJNMPFZSA-N 0 0 427.323 5.459 50 10 IKCARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020071042 569333595 /nfs/dbraw/zinc/33/35/95/569333595.db2.gz WYLSVGATGUUWJC-RXFWQSSRSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071399 569333721 /nfs/dbraw/zinc/33/37/21/569333721.db2.gz DOOLPJRQNSCMEW-ATIYNZHBSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071392 569333724 /nfs/dbraw/zinc/33/37/24/569333724.db2.gz DOOLPJRQNSCMEW-NVQXNPDNSA-N 0 0 446.503 5.050 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4cccc5ccccc54)o3)C2=N)S1 ZINC000020238684 569357579 /nfs/dbraw/zinc/35/75/79/569357579.db2.gz PXAVRPPVWXUYRZ-DZLJMLGJSA-N 0 0 446.557 6.003 50 10 IKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 ZINC000020324877 569360338 /nfs/dbraw/zinc/36/03/38/569360338.db2.gz KMUYWGJWHDDQPS-MOSHPQCFSA-N 0 0 437.611 6.595 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000020324907 569360413 /nfs/dbraw/zinc/36/04/13/569360413.db2.gz KUYUVOMHEOIGIE-UYRXBGFRSA-N 0 0 439.583 5.986 50 10 IKCARN O=S(=O)([O-])c1ccc(/N=N/c2ccc(NCC[NH+]3CCCCC3)c3ccccc23)cc1 ZINC000096026708 569380834 /nfs/dbraw/zinc/38/08/34/569380834.db2.gz SYFHGSRMYFJEGM-OCEACIFDSA-N 0 0 438.553 5.400 50 10 IKCARN CCN(CC)c1ccc([C@H](Nc2ccccn2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000096562248 569401039 /nfs/dbraw/zinc/40/10/39/569401039.db2.gz OXZWBTSACVCKRL-XMMPIXPASA-N 0 0 447.560 6.577 50 10 IKCARN COc1cccc(/C=C/C(=C2/C(C)=NN(c3ccccc3)C2=O)c2ccc(C)cc2)c1OC ZINC000096563651 569401140 /nfs/dbraw/zinc/40/11/40/569401140.db2.gz QVNDILWMFVYOEB-FAWJACLCSA-N 0 0 438.527 5.902 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000096563497 569401197 /nfs/dbraw/zinc/40/11/97/569401197.db2.gz SUOUTGUUGMXRFU-FYJGNVAPSA-N 0 0 436.964 6.605 50 10 IKCARN CC(C)N1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N(Cc2ccco2)C1=O ZINC000096564746 569401346 /nfs/dbraw/zinc/40/13/46/569401346.db2.gz YCXGHFCVHZSBBB-IWIPYMOSSA-N 0 0 438.483 5.369 50 10 IKCARN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000096568953 569401382 /nfs/dbraw/zinc/40/13/82/569401382.db2.gz FQHYQHWJULFYEC-GRMDCJTDSA-N 0 0 448.548 5.110 50 10 IKCARN Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)C(c1ccccc1)=S=C2c1ccccc1 ZINC000096576669 569401579 /nfs/dbraw/zinc/40/15/79/569401579.db2.gz ZFDJCKDNYRDWLA-UHFFFAOYSA-N 0 0 441.599 7.244 50 10 IKCARN COc1ccc2c(c1O)CN1CCc3cc(OCc4ccccc4)c(OC)cc3[C@@H]1CC2 ZINC000096593975 569402062 /nfs/dbraw/zinc/40/20/62/569402062.db2.gz CBLFDKMWJCZGIZ-QHCPKHFHSA-N 0 0 431.532 5.034 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000002478316 569404594 /nfs/dbraw/zinc/40/45/94/569404594.db2.gz IOXSEAYWWHMGGZ-UHFFFAOYSA-N 0 0 436.855 5.375 50 10 IKCARN CC(=O)[C@H](CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002638984 569413412 /nfs/dbraw/zinc/41/34/12/569413412.db2.gz FXGAZMXSOFDAFH-QFIPXVFZSA-N 0 0 440.902 5.303 50 10 IKCARN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000002682732 569416684 /nfs/dbraw/zinc/41/66/84/569416684.db2.gz LKQAGUOYHQWJDW-YBEGLDIGSA-N 0 0 428.362 5.491 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 ZINC000002700549 569417303 /nfs/dbraw/zinc/41/73/03/569417303.db2.gz UOZJDNFHHAQJPJ-RGEXLXHISA-N 0 0 444.647 5.765 50 10 IKCARN COc1cc(C)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1C(C)C ZINC000002815202 569422964 /nfs/dbraw/zinc/42/29/64/569422964.db2.gz LVWWLEFMWHFWLA-JCMHNJIXSA-N 0 0 425.619 5.961 50 10 IKCARN COc1ccccc1NC(=O)c1c(NCc2ccc(N(C)C)cc2)sc2c1CCCC2 ZINC000002909442 569424714 /nfs/dbraw/zinc/42/47/14/569424714.db2.gz MKEYCAANPJIUBK-UHFFFAOYSA-N 0 0 435.593 5.566 50 10 IKCARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCC3)cc1 ZINC000002909486 569424723 /nfs/dbraw/zinc/42/47/23/569424723.db2.gz JNOSMHLULFDXCX-UHFFFAOYSA-N 0 0 438.549 5.569 50 10 IKCARN CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000057305020 569430659 /nfs/dbraw/zinc/43/06/59/569430659.db2.gz TWKNAOBWHJRTBP-XMMPIXPASA-N 0 0 446.620 5.007 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000230151881 569439571 /nfs/dbraw/zinc/43/95/71/569439571.db2.gz ZBMNCDSLPYJJTF-PFBJBMPXSA-N 0 0 436.596 6.224 50 10 IKCARN CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000003082378 569439903 /nfs/dbraw/zinc/43/99/03/569439903.db2.gz LEVVNWZGUBGJDS-IBGZPJMESA-N 0 0 441.306 5.892 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(C)c(C)c1 ZINC000003267135 569443425 /nfs/dbraw/zinc/44/34/25/569443425.db2.gz MXTBCWLAGGQEJW-UHFFFAOYSA-N 0 0 446.601 5.943 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(C)c(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003283153 569443929 /nfs/dbraw/zinc/44/39/29/569443929.db2.gz DJWLZSVCENFNHE-UHFFFAOYSA-N 0 0 427.447 5.352 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccccc1F ZINC000003398061 569449500 /nfs/dbraw/zinc/44/95/00/569449500.db2.gz MZHRAPXZQPWYLC-AWEZNQCLSA-N 0 0 425.525 5.459 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003433413 569450940 /nfs/dbraw/zinc/45/09/40/569450940.db2.gz KBDJVNKJPQFHSF-UHFFFAOYSA-N 0 0 445.487 5.285 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@H](C)CC)ccc21 ZINC000003585558 569454432 /nfs/dbraw/zinc/45/44/32/569454432.db2.gz ASNRABQEALCUEC-JOCHJYFZSA-N 0 0 437.697 6.854 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)[C@@H](C)CC)ccc21 ZINC000003585578 569454453 /nfs/dbraw/zinc/45/44/53/569454453.db2.gz UIZGKCQXJSDGGC-FQEVSTJZSA-N 0 0 439.669 6.245 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cc(C)ccc3C)ccc21 ZINC000003585092 569454457 /nfs/dbraw/zinc/45/44/57/569454457.db2.gz GCINRZWCDQPVCC-UHFFFAOYSA-N 0 0 439.669 5.702 50 10 IKCARN CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H](C)CC)ccc21 ZINC000003585188 569454464 /nfs/dbraw/zinc/45/44/64/569454464.db2.gz MFXSQIPIPHECJR-KRWDZBQOSA-N 0 0 448.438 6.989 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3)[C@@H](C)CC)ccc21 ZINC000003585573 569454479 /nfs/dbraw/zinc/45/44/79/569454479.db2.gz OYPXJVYVFNAMME-IBGZPJMESA-N 0 0 444.088 6.890 50 10 IKCARN COC(=O)c1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741826 569456286 /nfs/dbraw/zinc/45/62/86/569456286.db2.gz PMXOZMDHSCGBEC-UHFFFAOYSA-N 0 0 439.471 5.170 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCCO2)cc3N1CCCC1 ZINC000003741824 569456330 /nfs/dbraw/zinc/45/63/30/569456330.db2.gz XQYUPJNCLINEHT-UHFFFAOYSA-N 0 0 439.471 5.154 50 10 IKCARN N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000032518645 569461906 /nfs/dbraw/zinc/46/19/06/569461906.db2.gz NGVUEBALZWISSV-JLFKZYKSSA-N 0 0 431.904 5.904 50 10 IKCARN Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000008406008 569464025 /nfs/dbraw/zinc/46/40/25/569464025.db2.gz LSUAXIRAQNSAET-UHFFFAOYSA-N 0 0 428.435 5.921 50 10 IKCARN O=C1/C(=C/c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccc(Cl)cc1 ZINC000008712119 569471057 /nfs/dbraw/zinc/47/10/57/569471057.db2.gz ISOJALHPPRBTHR-HMAPJEAMSA-N 0 0 431.969 7.052 50 10 IKCARN O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 ZINC000008782188 569475751 /nfs/dbraw/zinc/47/57/51/569475751.db2.gz OCQBLFCFRWIMRF-JCMHNJIXSA-N 0 0 445.613 6.076 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccccn1)CCCC2 ZINC000008814310 569476636 /nfs/dbraw/zinc/47/66/36/569476636.db2.gz GZWISOJWQWUFSH-UHFFFAOYSA-N 0 0 427.957 5.548 50 10 IKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O ZINC000008833879 569477919 /nfs/dbraw/zinc/47/79/19/569477919.db2.gz GUSSXWPNFFSSFS-GEZYKDBCSA-N 0 0 440.565 5.392 50 10 IKCARN O=C1c2ccccc2C(=O)c2cc(OC[C@H](O)Cn3c4ccccc4c4ccccc43)ccc21 ZINC000008837589 569478221 /nfs/dbraw/zinc/47/82/21/569478221.db2.gz IZDSLYODJHQCAB-GOSISDBHSA-N 0 0 447.490 5.010 50 10 IKCARN CCN1c2ccccc2C(N=NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)C1=O ZINC000008856047 569479712 /nfs/dbraw/zinc/47/97/12/569479712.db2.gz SFLHFJNFEWEADP-BYYHNAKLSA-N 0 0 427.504 5.530 50 10 IKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000008872615 569481025 /nfs/dbraw/zinc/48/10/25/569481025.db2.gz TYUPDRHHHRTVBH-RGEXLXHISA-N 0 0 430.342 5.012 50 10 IKCARN O=C(NCc1ccccc1Cl)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000008912062 569484947 /nfs/dbraw/zinc/48/49/47/569484947.db2.gz DVKZORQYNTXFDX-UHFFFAOYSA-N 0 0 440.974 6.607 50 10 IKCARN CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000008918151 569486205 /nfs/dbraw/zinc/48/62/05/569486205.db2.gz MPYSYTCCHLYARA-GSDHBNRESA-N 0 0 433.507 5.017 50 10 biogenic IKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000008919862 569486511 /nfs/dbraw/zinc/48/65/11/569486511.db2.gz DNRNWSQLRCAIST-NSPYISDASA-N 0 0 434.989 6.086 50 10 IKCARN Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 ZINC000008951489 569489873 /nfs/dbraw/zinc/48/98/73/569489873.db2.gz HZEMHAXVZJIUCB-UHFFFAOYSA-N 0 0 448.594 6.693 50 10 IKCARN O=C1NC(=S)S/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000008965098 569491335 /nfs/dbraw/zinc/49/13/35/569491335.db2.gz DYHJHZBHOUOJLY-WWOVWOHCSA-N 0 0 441.581 5.531 50 10 IKCARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)o1 ZINC000008965970 569491621 /nfs/dbraw/zinc/49/16/21/569491621.db2.gz NNPUCVSIVDOQHB-KRWDZBQOSA-N 0 0 433.533 5.516 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000008983815 569494640 /nfs/dbraw/zinc/49/46/40/569494640.db2.gz QYYDVFWSLIYPGB-HZHRSRAPSA-N 0 0 430.479 5.610 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccccc3OCc3cccc4ccccc43)C2=N)S1 ZINC000008984285 569494701 /nfs/dbraw/zinc/49/47/01/569494701.db2.gz ULXNLEFLLLBUOU-CXJFQJJYSA-N 0 0 440.528 5.448 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=N)S1 ZINC000009008959 569496324 /nfs/dbraw/zinc/49/63/24/569496324.db2.gz KBHXPFPNVPAHDA-QLSUFNALSA-N 0 0 445.523 5.248 50 10 IKCARN CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009009932 569496466 /nfs/dbraw/zinc/49/64/66/569496466.db2.gz HXHIWHPHFWOLRQ-TWJOJJKGSA-N 0 0 433.507 5.017 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=N)S1 ZINC000009046091 569498279 /nfs/dbraw/zinc/49/82/79/569498279.db2.gz MDAZRPUJEXGDOD-CYPXAJCBSA-N 0 0 438.940 5.338 50 10 IKCARN CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000009056774 569499113 /nfs/dbraw/zinc/49/91/13/569499113.db2.gz OWUYDHSTYUUEKG-UYRXBGFRSA-N 0 0 443.981 5.755 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H]3CCCC[C@H]3C)ccc21 ZINC000245343722 569504544 /nfs/dbraw/zinc/50/45/44/569504544.db2.gz XUQYRCQIOOOVTD-ATIYNZHBSA-N 0 0 449.708 6.935 50 10 IKCARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1OC ZINC000009159466 569508591 /nfs/dbraw/zinc/50/85/91/569508591.db2.gz LSRQIEBDTSTSST-FQEVSTJZSA-N 0 0 436.895 5.054 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=N)S1 ZINC000009159247 569508597 /nfs/dbraw/zinc/50/85/97/569508597.db2.gz MGIKXNZKWZRGOD-RNJGGXIZSA-N 0 0 447.608 6.027 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000009161323 569508718 /nfs/dbraw/zinc/50/87/18/569508718.db2.gz XGKCMNPYIDYPKA-SMKDVUIYSA-N 0 0 445.592 5.602 50 10 IKCARN Cn1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000009193115 569510828 /nfs/dbraw/zinc/51/08/28/569510828.db2.gz XCUMIHKPTTURDI-MFOYZWKCSA-N 0 0 429.364 5.347 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 ZINC000009217685 569512347 /nfs/dbraw/zinc/51/23/47/569512347.db2.gz UMERBYIHGSIOFE-SFHVURJKSA-N 0 0 443.576 5.446 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228605 569513622 /nfs/dbraw/zinc/51/36/22/569513622.db2.gz KPOIZVVHPHPXKH-UHFFFAOYSA-N 0 0 446.776 6.140 50 10 IKCARN CCOC(=O)c1ccccc1NC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228794 569513636 /nfs/dbraw/zinc/51/36/36/569513636.db2.gz OQRGPGCVBBTOEA-UHFFFAOYSA-N 0 0 425.916 5.246 50 10 IKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc(Br)cc2)c1C ZINC000009228884 569513642 /nfs/dbraw/zinc/51/36/42/569513642.db2.gz BRGNNDOSKAGAEC-UHFFFAOYSA-N 0 0 428.330 5.187 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 ZINC000009228799 569513643 /nfs/dbraw/zinc/51/36/43/569513643.db2.gz VIKWYENTXRKMRK-UHFFFAOYSA-N 0 0 432.749 5.832 50 10 IKCARN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 ZINC000009232543 569513808 /nfs/dbraw/zinc/51/38/08/569513808.db2.gz ZIDGQNUQDFFBJH-MHWRWJLKSA-N 0 0 437.359 5.060 50 10 IKCARN O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000009232309 569513766 /nfs/dbraw/zinc/51/37/66/569513766.db2.gz ZOAJBKVQRRSYEB-MKMNVTDBSA-N 0 0 446.725 5.787 50 10 IKCARN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000009232282 569513767 /nfs/dbraw/zinc/51/37/67/569513767.db2.gz XFPQKTJLQRCUAJ-MKMNVTDBSA-N 0 0 429.281 5.447 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(C)C ZINC000009232274 569513789 /nfs/dbraw/zinc/51/37/89/569513789.db2.gz DWPUBUMOGZBKGW-CIAFOILYSA-N 0 0 427.591 5.753 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000009235134 569514032 /nfs/dbraw/zinc/51/40/32/569514032.db2.gz HXNBAKBZZRDDLX-FNSVQNJISA-N 0 0 439.972 5.413 50 10 IKCARN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2Br)cc1 ZINC000009236626 569514164 /nfs/dbraw/zinc/51/41/64/569514164.db2.gz ICWMCWFWXLPPRG-LICLKQGHSA-N 0 0 434.380 5.168 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000009291001 569519797 /nfs/dbraw/zinc/51/97/97/569519797.db2.gz NNKLAOPXKSGTAO-ISOCJEKQSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000009291694 569519906 /nfs/dbraw/zinc/51/99/06/569519906.db2.gz MLEJVQZSRKGHRQ-XVIKKCDJSA-N 0 0 449.555 5.433 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000009293444 569520224 /nfs/dbraw/zinc/52/02/24/569520224.db2.gz RAWIULFRQLUFJI-QCIUGURRSA-N 0 0 433.581 5.376 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000009293553 569520282 /nfs/dbraw/zinc/52/02/82/569520282.db2.gz LATUYMOLRCMKRU-IXLJKPNMSA-N 0 0 437.544 5.433 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000009293661 569520290 /nfs/dbraw/zinc/52/02/90/569520290.db2.gz IWQHEFPJXYAAQM-SMKDVUIYSA-N 0 0 445.592 5.602 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000009293609 569520297 /nfs/dbraw/zinc/52/02/97/569520297.db2.gz YKJWPAIZOJKGMN-NONNEFQTSA-N 0 0 443.985 5.077 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1CCc1ccccc1 ZINC000009295941 569520401 /nfs/dbraw/zinc/52/04/01/569520401.db2.gz LXEHSZSOHBDUGA-KQWNVCNZSA-N 0 0 449.572 5.849 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1 ZINC000009296521 569520465 /nfs/dbraw/zinc/52/04/65/569520465.db2.gz CSTAOLMAVXWWKV-LDADJPATSA-N 0 0 448.407 6.243 50 10 IKCARN O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000009296540 569520474 /nfs/dbraw/zinc/52/04/74/569520474.db2.gz DOZBGCDJIPROAT-KGENOOAVSA-N 0 0 448.525 5.580 50 10 IKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)C3=N)S2)cc1 ZINC000009299678 569520504 /nfs/dbraw/zinc/52/05/04/569520504.db2.gz FRGFXGGFCSYFCZ-LSZLNTRYSA-N 0 0 446.919 5.576 50 10 IKCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009296593 569520542 /nfs/dbraw/zinc/52/05/42/569520542.db2.gz ZDYUKGBNCCWNRL-RIYZIHGNSA-N 0 0 444.297 5.874 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C2=N)S1 ZINC000009307625 569521409 /nfs/dbraw/zinc/52/14/09/569521409.db2.gz DSTOYSAECKEIQN-RIHJCCTQSA-N 0 0 449.580 5.221 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=N)S1 ZINC000009309365 569521607 /nfs/dbraw/zinc/52/16/07/569521607.db2.gz QMJYTCJRNMASIR-AMWUQPRHSA-N 0 0 437.594 5.041 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000009309136 569521613 /nfs/dbraw/zinc/52/16/13/569521613.db2.gz ZPRFLMFTQFYEDS-RLRFCYPDSA-N 0 0 433.581 5.376 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000009309684 569521654 /nfs/dbraw/zinc/52/16/54/569521654.db2.gz ZLDAHPXUGYLZLW-RQFVJUFOSA-N 0 0 441.560 5.523 50 10 IKCARN Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009310217 569521696 /nfs/dbraw/zinc/52/16/96/569521696.db2.gz HQSKSVJGEHEICZ-RUZDIDTESA-N 0 0 428.605 5.287 50 10 IKCARN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009310237 569521728 /nfs/dbraw/zinc/52/17/28/569521728.db2.gz LMIGKADBRFUULX-IZZDOVSWSA-N 0 0 435.151 5.755 50 10 IKCARN CCc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3CC)SC1=S ZINC000009310411 569521774 /nfs/dbraw/zinc/52/17/74/569521774.db2.gz VLXFLOIPJAIBRL-LFVJCYFKSA-N 0 0 442.609 6.783 50 10 IKCARN CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)ccc21 ZINC000009311765 569521851 /nfs/dbraw/zinc/52/18/51/569521851.db2.gz FOPGMSRSTPACLJ-HYARGMPZSA-N 0 0 432.545 6.359 50 10 IKCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@H](C)O1 ZINC000009335014 569523312 /nfs/dbraw/zinc/52/33/12/569523312.db2.gz UXLCMHBQTNGESC-VDYCAFGDSA-N 0 0 436.455 5.045 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C(C)C)o2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000009336995 569523517 /nfs/dbraw/zinc/52/35/17/569523517.db2.gz JNJKBRQNSYVQQG-AWEZNQCLSA-N 0 0 435.496 5.565 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC ZINC000009344897 569524081 /nfs/dbraw/zinc/52/40/81/569524081.db2.gz QUVPOVSUUHLBCQ-IDUWFGFVSA-N 0 0 440.373 5.807 50 10 IKCARN CCCCNc1ccc(NC(=O)c2c(C)cc(C)cc2C)c2c1C(=O)c1ccccc1C2=O ZINC000009359562 569525719 /nfs/dbraw/zinc/52/57/19/569525719.db2.gz GWCWABLEPBMZBQ-UHFFFAOYSA-N 0 0 440.543 5.852 50 10 IKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000009363755 569525917 /nfs/dbraw/zinc/52/59/17/569525917.db2.gz WOISAZQREBJUQZ-ZSOIEALJSA-N 0 0 445.190 6.162 50 10 IKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCC2(CC1)OCCO2 ZINC000009406117 569529957 /nfs/dbraw/zinc/52/99/57/569529957.db2.gz WXCKFTHQXAEAFZ-UHFFFAOYSA-N 0 0 442.559 5.002 50 10 IKCARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406132 569529967 /nfs/dbraw/zinc/52/99/67/569529967.db2.gz KAAYYKDBLNMFRH-HSZRJFAPSA-N 0 0 448.610 6.774 50 10 IKCARN C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000009406181 569530021 /nfs/dbraw/zinc/53/00/21/569530021.db2.gz DMPQPAWZBUDOLZ-QFIPXVFZSA-N 0 0 434.583 6.242 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000009406180 569530053 /nfs/dbraw/zinc/53/00/53/569530053.db2.gz 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CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(OC)c(OC)c3)c2c1N ZINC000009579512 569548534 /nfs/dbraw/zinc/54/85/34/569548534.db2.gz YCDYJPSUXVSZLJ-UHFFFAOYSA-N 0 0 440.546 5.468 50 10 IKCARN COc1ccc(-c2cc3c(n2-c2ccc(Oc4ccccc4)cc2)CC(C)(C)CC3=O)cc1 ZINC000009610919 569552686 /nfs/dbraw/zinc/55/26/86/569552686.db2.gz LHBBFJUHTRGBKU-UHFFFAOYSA-N 0 0 437.539 7.100 50 10 IKCARN COc1ccc(C)cc1-n1c(-c2ccc(Br)cc2)cc2c1CC(C)(C)CC2=O ZINC000009610928 569552704 /nfs/dbraw/zinc/55/27/04/569552704.db2.gz NYRUIXPMWJHPLI-UHFFFAOYSA-N 0 0 438.365 6.379 50 10 IKCARN CCOc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)SC1=S ZINC000009635917 569554699 /nfs/dbraw/zinc/55/46/99/569554699.db2.gz TXLLITLONKUBMR-HAHDFKILSA-N 0 0 448.613 6.207 50 10 IKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000009712609 569562298 /nfs/dbraw/zinc/56/22/98/569562298.db2.gz UMJPFLNBGLTCND-GOSISDBHSA-N 0 0 448.573 5.212 50 10 IKCARN CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)Nc1c(C)n[nH]c1C ZINC000009715292 569563123 /nfs/dbraw/zinc/56/31/23/569563123.db2.gz NXNLXSVJDIPBIB-UHFFFAOYSA-N 0 0 431.565 5.308 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1C(C)C ZINC000009762511 569566532 /nfs/dbraw/zinc/56/65/32/569566532.db2.gz ASJFTTCUOQKUOR-STZFKDTASA-N 0 0 443.590 5.155 50 10 IKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@@H]1CC=C[C@H]21 ZINC000009763657 569566648 /nfs/dbraw/zinc/56/66/48/569566648.db2.gz VRXRAZSWEMXZGP-MRUHUIDDSA-N 0 0 428.326 5.379 50 10 IKCARN Cc1cccc(Cn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000009805533 569568778 /nfs/dbraw/zinc/56/87/78/569568778.db2.gz WBCXCLOAVWHZBC-QRVIBDJDSA-N 0 0 444.581 5.992 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2c(C)cccc2C)cc1 ZINC000009805785 569568859 /nfs/dbraw/zinc/56/88/59/569568859.db2.gz QNFRWVIFAQUSJS-XIEYBQDHSA-N 0 0 426.516 5.567 50 10 IKCARN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 ZINC000009833616 569570400 /nfs/dbraw/zinc/57/04/00/569570400.db2.gz BPQYKEGZNMGRLT-ODLFYWEKSA-N 0 0 440.286 5.158 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C2=N)S1 ZINC000071328734 569575571 /nfs/dbraw/zinc/57/55/71/569575571.db2.gz XPLBCQXZVHGDCB-IXJADQOWSA-N 0 0 433.581 5.637 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000010232854 569579340 /nfs/dbraw/zinc/57/93/40/569579340.db2.gz KMUIGXDTTBQJCP-WQRHYEAKSA-N 0 0 430.507 5.007 50 10 IKCARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000000638613 193866670 /nfs/dbraw/zinc/86/66/70/193866670.db2.gz WCXFDCFQTBRKJQ-WQRHYEAKSA-N 0 0 433.451 5.305 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000006142441 193881763 /nfs/dbraw/zinc/88/17/63/193881763.db2.gz OSOXXRPXUJVZII-IMRQLAEWSA-N 0 0 446.554 6.469 50 10 IKCARN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000006144587 193883610 /nfs/dbraw/zinc/88/36/10/193883610.db2.gz JYWBBHQMIZZTQG-IUKKYPGJSA-N 0 0 427.375 6.446 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)c(C)c1 ZINC000009849739 193907359 /nfs/dbraw/zinc/90/73/59/193907359.db2.gz IXMSAQIGZXAHGO-NDENLUEZSA-N 0 0 425.962 6.623 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363131 193927183 /nfs/dbraw/zinc/92/71/83/193927183.db2.gz PZCUTXVCEGUPQG-KCWPFWIISA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364478 193928525 /nfs/dbraw/zinc/92/85/25/193928525.db2.gz HLBANRFJKYOHAE-ZEQKJWHPSA-N 0 0 444.531 5.108 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccc(C)cc5)CC4)=NC3=O)o2)cc1 ZINC000000950647 132235963 /nfs/dbraw/zinc/23/59/63/132235963.db2.gz AFFAFSPYORDBLN-JJIBRWJFSA-N 0 0 443.572 5.356 50 10 IKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000001180920 132238647 /nfs/dbraw/zinc/23/86/47/132238647.db2.gz KGDKTTBPYMAAMS-CJLVFECKSA-N 0 0 449.963 5.393 50 10 IKCARN S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000001303234 132241375 /nfs/dbraw/zinc/24/13/75/132241375.db2.gz OGMXUGCOJUNDCA-UHFFFAOYSA-N 0 0 427.367 5.207 50 10 IKCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000001471591 132245711 /nfs/dbraw/zinc/24/57/11/132245711.db2.gz UXFLHJRAUUILBQ-CJLVFECKSA-N 0 0 449.963 5.393 50 10 IKCARN C[C@H]1CN(c2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C[C@H](C)O1 ZINC000002228383 132249473 /nfs/dbraw/zinc/24/94/73/132249473.db2.gz KRQSVIUCVJBJCB-HOTGVXAUSA-N 0 0 425.488 5.396 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1 ZINC000002372644 132253260 /nfs/dbraw/zinc/25/32/60/132253260.db2.gz UYXCVPXWLNTOTI-UHFFFAOYSA-N 0 0 431.388 6.060 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1 ZINC000002395903 132253750 /nfs/dbraw/zinc/25/37/50/132253750.db2.gz WKHQLUQXRXOHBN-UHFFFAOYSA-N 0 0 435.351 5.890 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)C3CCCC3)ccc21 ZINC000003585778 132266208 /nfs/dbraw/zinc/26/62/08/132266208.db2.gz FNPCBKSAEDUVDX-UHFFFAOYSA-N 0 0 435.681 6.689 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)C3CCCC3)ccc21 ZINC000003586134 132266369 /nfs/dbraw/zinc/26/63/69/132266369.db2.gz AGPTVKAXKJRTQG-UHFFFAOYSA-N 0 0 435.681 6.689 50 10 IKCARN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC ZINC000003648771 132266912 /nfs/dbraw/zinc/26/69/12/132266912.db2.gz JEGMTNOFHVMKJK-XYOKQWHBSA-N 0 0 431.536 5.203 50 10 IKCARN COc1ccc(Nc2cc(N3CCCC[C@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741771 132267710 /nfs/dbraw/zinc/26/77/10/132267710.db2.gz XKDZWEKVMMBSSR-MRXNPFEDSA-N 0 0 439.515 6.170 50 10 IKCARN COc1cccc(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741807 132267906 /nfs/dbraw/zinc/26/79/06/132267906.db2.gz VAKZTJYUFVDTSJ-UHFFFAOYSA-N 0 0 439.515 6.028 50 10 IKCARN CCOc1ccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741988 132267940 /nfs/dbraw/zinc/26/79/40/132267940.db2.gz RYWAGRNIUIDRKO-UHFFFAOYSA-N 0 0 439.515 6.172 50 10 IKCARN COc1cccc(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741777 132267952 /nfs/dbraw/zinc/26/79/52/132267952.db2.gz CWEMGOJCLXRBNI-MRXNPFEDSA-N 0 0 439.515 6.028 50 10 IKCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)CC1 ZINC000006154194 132276326 /nfs/dbraw/zinc/27/63/26/132276326.db2.gz ZLANVFKGHZRUOD-HAVVHWLPSA-N 0 0 429.545 5.048 50 10 IKCARN Clc1cccc([C@H]2[C@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1Cl ZINC000006475251 132277343 /nfs/dbraw/zinc/27/73/43/132277343.db2.gz OOLWDDHOESJTDM-BFIHVBEASA-N 0 0 444.405 8.041 50 10 IKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000006444972 132277349 /nfs/dbraw/zinc/27/73/49/132277349.db2.gz ATXKHFUYBJMLAL-MSBWEVJISA-N 0 0 438.796 6.997 50 10 IKCARN Clc1cccc([C@H]2[C@H]3CC=C[C@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1Cl ZINC000006475246 132277370 /nfs/dbraw/zinc/27/73/70/132277370.db2.gz OOLWDDHOESJTDM-LAQIFKFKSA-N 0 0 444.405 8.041 50 10 IKCARN C[C@@H]1C[C@H](C)CN(c2cc(NC3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737919 132278445 /nfs/dbraw/zinc/27/84/45/132278445.db2.gz WNBZVTLASJAQQI-CALCHBBNSA-N 0 0 429.564 6.266 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000008435246 132281932 /nfs/dbraw/zinc/28/19/32/132281932.db2.gz MTOGYYHZWXZMBK-KRKXHZOKSA-N 0 0 442.515 5.666 50 10 IKCARN CN(C)c1ccc([C@H]2n3c4ccccc4nc3-c3ccccc3N2Cc2ccccc2)cc1 ZINC000008738747 132292465 /nfs/dbraw/zinc/29/24/65/132292465.db2.gz WCJVBQXJIKSILO-GDLZYMKVSA-N 0 0 430.555 6.336 50 10 IKCARN Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000009245089 132310438 /nfs/dbraw/zinc/31/04/38/132310438.db2.gz PZIJVRHVNHXTDW-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612315 132323557 /nfs/dbraw/zinc/32/35/57/132323557.db2.gz CQEYSUUOSUUWLP-UHFFFAOYSA-N 0 0 425.488 5.236 50 10 IKCARN C[C@H]1C[C@H](C)CN(c2cc(NCc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641915 132324515 /nfs/dbraw/zinc/32/45/15/132324515.db2.gz WMCZDYANYURHCT-ROUUACIJSA-N 0 0 437.543 6.134 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000013121288 132345314 /nfs/dbraw/zinc/34/53/14/132345314.db2.gz BWAFQOPGEUAJFG-UHFFFAOYSA-N 0 0 436.559 5.559 50 10 IKCARN Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000013809901 132354712 /nfs/dbraw/zinc/35/47/12/132354712.db2.gz JMDBTMFUASRSSI-CALCHBBNSA-N 0 0 439.515 5.705 50 10 IKCARN CC(C)(C)c1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000012579799 519012830 /nfs/dbraw/zinc/01/28/30/519012830.db2.gz WREXTZKTHKPVMN-ATVHPVEESA-N 0 0 425.604 5.822 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000012382042 519559318 /nfs/dbraw/zinc/55/93/18/519559318.db2.gz WMZYIUOYIFEMRU-AJUKGGFZSA-N 0 0 430.942 5.359 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000033351770 520318784 /nfs/dbraw/zinc/31/87/84/520318784.db2.gz WINKJZZNRYCLPV-XSFVSMFZSA-N 0 0 435.574 5.159 50 10 IKCARN CCOc1ccc(Br)c(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1 ZINC000015016363 520860581 /nfs/dbraw/zinc/86/05/81/520860581.db2.gz HPMTXLLAMDODNT-STZFKDTASA-N 0 0 435.321 5.807 50 10 IKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012573252 520895272 /nfs/dbraw/zinc/89/52/72/520895272.db2.gz NSADOLHKNGIQCK-STZFKDTASA-N 0 0 444.947 6.060 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 ZINC000033347631 520913738 /nfs/dbraw/zinc/91/37/38/520913738.db2.gz RKNHSBASHMIAOU-QGOAFFKASA-N 0 0 447.423 5.701 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012560571 520922070 /nfs/dbraw/zinc/92/20/70/520922070.db2.gz HYUGIVWIBGLFOW-RSXGOPAZSA-N 0 0 431.967 6.429 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(OC)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764293 520932185 /nfs/dbraw/zinc/93/21/85/520932185.db2.gz FREPQAWVAVPJEE-IGKIAQTJSA-N 0 0 446.547 5.421 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000012555250 521401267 /nfs/dbraw/zinc/40/12/67/521401267.db2.gz CNPNLCDEPHHLAW-DEOSSOPVSA-N 0 0 444.531 5.747 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](CC(C)C)N2)c1O ZINC000020763181 521415842 /nfs/dbraw/zinc/41/58/42/521415842.db2.gz IFPMQVSRTYMYCT-PZJWPPBQSA-N 0 0 431.374 5.449 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763360 521416010 /nfs/dbraw/zinc/41/60/10/521416010.db2.gz MZSYUFPIUPHDCJ-JYFHCDHNSA-N 0 0 434.967 6.229 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000020763611 521416326 /nfs/dbraw/zinc/41/63/26/521416326.db2.gz PGFYIBFRPZDEPK-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763052 521417493 /nfs/dbraw/zinc/41/74/93/521417493.db2.gz MPYJMIBBRUAKOP-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763365 521425568 /nfs/dbraw/zinc/42/55/68/521425568.db2.gz MZSYUFPIUPHDCJ-ZEQKJWHPSA-N 0 0 434.967 6.229 50 10 IKCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000000843473 521462053 /nfs/dbraw/zinc/46/20/53/521462053.db2.gz OHWWNQZULSLVNS-LFVJCYFKSA-N 0 0 427.504 5.077 50 10 IKCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000016687899 521462536 /nfs/dbraw/zinc/46/25/36/521462536.db2.gz OHWWNQZULSLVNS-JLPGSUDCSA-N 0 0 427.504 5.077 50 10 IKCARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2c1N ZINC000012249987 521619196 /nfs/dbraw/zinc/61/91/96/521619196.db2.gz VRULRSSJADJMBB-UHFFFAOYSA-N 0 0 448.544 5.715 50 10 IKCARN CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S ZINC000012787089 521699084 /nfs/dbraw/zinc/69/90/84/521699084.db2.gz JJZZYUWSZLKEAW-LICLKQGHSA-N 0 0 431.608 5.056 50 10 IKCARN CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001263745 521860493 /nfs/dbraw/zinc/86/04/93/521860493.db2.gz NZQSWCGMJPSIJA-ICWNOLGCSA-N 0 0 436.602 5.425 50 10 IKCARN COC(=O)c1ccc(CC(=S)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000012369278 521993402 /nfs/dbraw/zinc/99/34/02/521993402.db2.gz UAVXQEFKRYXBDX-UHFFFAOYSA-N 0 0 436.576 6.420 50 10 IKCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000020733240 522172483 /nfs/dbraw/zinc/17/24/83/522172483.db2.gz PNQKQUYWOQCZJW-UHFFFAOYSA-N 0 0 434.561 5.007 50 10 IKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@@H]1CC=C[C@@H]21 ZINC000012628331 522185794 /nfs/dbraw/zinc/18/57/94/522185794.db2.gz VRXRAZSWEMXZGP-ZOCZFRKYSA-N 0 0 428.326 5.379 50 10 IKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@@H]21 ZINC000012628327 522187088 /nfs/dbraw/zinc/18/70/88/522187088.db2.gz VRXRAZSWEMXZGP-XFQAVAEZSA-N 0 0 428.326 5.379 50 10 IKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021891878 522247358 /nfs/dbraw/zinc/24/73/58/522247358.db2.gz CVAQTIGXUSUPEC-HHHXNRCGSA-N 0 0 436.559 5.358 50 10 IKCARN CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021891874 522251996 /nfs/dbraw/zinc/25/19/96/522251996.db2.gz CVAQTIGXUSUPEC-MHZLTWQESA-N 0 0 436.559 5.358 50 10 IKCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000017167394 522866368 /nfs/dbraw/zinc/86/63/68/522866368.db2.gz WAQUQVBDXHPRPU-XYGWBWBKSA-N 0 0 446.591 5.716 50 10 IKCARN COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCCC[C@H]4c4cccnc4)c3oc2=O)cc1 ZINC000020763638 523120537 /nfs/dbraw/zinc/12/05/37/523120537.db2.gz IJXJLSYYFJGVIV-DEOSSOPVSA-N 0 0 442.515 5.296 50 10 biogenic IKCARN COc1ccc(-c2ccc(CCC(=O)N3CCC[C@H](C)C3)n2-c2ccc(SC)cc2)cc1 ZINC000023428212 523132118 /nfs/dbraw/zinc/13/21/18/523132118.db2.gz CUANYLFQIFLVTJ-FQEVSTJZSA-N 0 0 448.632 6.066 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012594015 523263709 /nfs/dbraw/zinc/26/37/09/523263709.db2.gz IQWRNSKEGRNRHZ-SEJPIABJSA-N 0 0 430.683 5.248 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)c2C)cc1 ZINC000022008495 523314990 /nfs/dbraw/zinc/31/49/90/523314990.db2.gz DUHHJAIILLQKCL-QHCPKHFHSA-N 0 0 448.954 5.009 50 10 IKCARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000012564792 523860995 /nfs/dbraw/zinc/86/09/95/523860995.db2.gz SETCPTBRVZSRSK-NLRVBDNBSA-N 0 0 432.527 5.908 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020764115 524113872 /nfs/dbraw/zinc/11/38/72/524113872.db2.gz YTZAUFLPERIZEU-REWPJTCUSA-N 0 0 427.331 5.930 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020764119 524175265 /nfs/dbraw/zinc/17/52/65/524175265.db2.gz YTZAUFLPERIZEU-OFNKIYASSA-N 0 0 427.331 5.930 50 10 IKCARN Cc1ccc(C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000022229208 524179150 /nfs/dbraw/zinc/17/91/50/524179150.db2.gz WAKLBMKMJRBWSK-UNOMPAQXSA-N 0 0 433.982 5.246 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1 ZINC000033020372 524218973 /nfs/dbraw/zinc/21/89/73/524218973.db2.gz QJLHJHSOBPSOKE-UHFFFAOYSA-N 0 0 432.549 5.551 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020762933 524235294 /nfs/dbraw/zinc/23/52/94/524235294.db2.gz IQSSOLMBPHDADS-FYYLOGMGSA-N 0 0 439.328 5.825 50 10 IKCARN COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1C ZINC000022309544 524300466 /nfs/dbraw/zinc/30/04/66/524300466.db2.gz CHOWGQFEZIFPKN-BKUYFWCQSA-N 0 0 438.549 5.648 50 10 IKCARN Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O ZINC000022228841 524317079 /nfs/dbraw/zinc/31/70/79/524317079.db2.gz DFDPOPFTPRRSON-PDGQHHTCSA-N 0 0 433.982 5.246 50 10 IKCARN C[C@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)c1ccccc1 ZINC000020902517 524459411 /nfs/dbraw/zinc/45/94/11/524459411.db2.gz CGICKJKVVHGHKJ-HSZRJFAPSA-N 0 0 448.610 6.947 50 10 IKCARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000021891781 524627404 /nfs/dbraw/zinc/62/74/04/524627404.db2.gz BRHKSBINHGFGCX-MHZLTWQESA-N 0 0 436.559 5.989 50 10 IKCARN COc1ccccc1[C@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2O)N1 ZINC000020763748 524817167 /nfs/dbraw/zinc/81/71/67/524817167.db2.gz UMSSTSXPSLGLKF-OFNKIYASSA-N 0 0 437.337 5.386 50 10 IKCARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000021891726 525149403 /nfs/dbraw/zinc/14/94/03/525149403.db2.gz RCJQQASLBDZFQD-HHHXNRCGSA-N 0 0 436.559 5.989 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)C1 ZINC000020489496 525206852 /nfs/dbraw/zinc/20/68/52/525206852.db2.gz QZARURGOLJKZON-FGZHOGPDSA-N 0 0 426.604 6.531 50 10 IKCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N12 ZINC000032945410 525345546 /nfs/dbraw/zinc/34/55/46/525345546.db2.gz IUGLZJXBBHFYLV-GHZHVEGCSA-N 0 0 434.955 5.024 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1c(O)cccc1OC ZINC000012158699 525569708 /nfs/dbraw/zinc/56/97/08/525569708.db2.gz NZILGZKIFBIYNO-QHCPKHFHSA-N 0 0 425.525 5.792 50 10 IKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NCc4ccco4)cc2)CCCCC3)c1 ZINC000033114801 525711643 /nfs/dbraw/zinc/71/16/43/525711643.db2.gz JPAPSUYCWLHJEV-UHFFFAOYSA-N 0 0 440.543 5.945 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000035190371 526082865 /nfs/dbraw/zinc/08/28/65/526082865.db2.gz HOIJQIDRIPRLCT-IQGAPNPZSA-N 0 0 425.945 5.023 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000033657651 526083199 /nfs/dbraw/zinc/08/31/99/526083199.db2.gz SAERAADMQPRUIC-WMIGAGKJSA-N 0 0 443.935 5.162 50 10 IKCARN Cc1cc(C=C2SC(NC3CCCCC3)=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000033714655 526088287 /nfs/dbraw/zinc/08/82/87/526088287.db2.gz WTCLZZSUVZTYJM-UDWIEESQSA-N 0 0 447.526 6.006 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000012383804 526090555 /nfs/dbraw/zinc/09/05/55/526090555.db2.gz OJTQHEBLBKOMMM-ZXOFLVKFSA-N 0 0 425.962 6.562 50 10 IKCARN Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1-c1ccccc1 ZINC000012555651 526213954 /nfs/dbraw/zinc/21/39/54/526213954.db2.gz CWIRJBFOKFLCRO-UHFFFAOYSA-N 0 0 437.568 6.408 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(OCC)cc3)[C@H](C)CC)ccc21 ZINC000003585648 534915537 /nfs/dbraw/zinc/91/55/37/534915537.db2.gz JMERUSHWSUXXFA-HXUWFJFHSA-N 0 0 439.669 6.245 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(C)c3C)ccc21 ZINC000003057239 534915575 /nfs/dbraw/zinc/91/55/75/534915575.db2.gz MLGQRTVATZXXKC-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cc(C)cc(C)c3)ccc21 ZINC000003057220 534915867 /nfs/dbraw/zinc/91/58/67/534915867.db2.gz VYINQWJPPXIWMF-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(C)cc3C)ccc21 ZINC000003057215 534916106 /nfs/dbraw/zinc/91/61/06/534916106.db2.gz GFYIXVQRENOVDQ-UHFFFAOYSA-N 0 0 425.642 5.311 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(Cl)c2)N1 ZINC000020764973 526346203 /nfs/dbraw/zinc/34/62/03/526346203.db2.gz OYKFIMGHJCAGEJ-CVDCTZTESA-N 0 0 441.314 5.650 50 10 IKCARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012624832 526435537 /nfs/dbraw/zinc/43/55/37/526435537.db2.gz ZRQGMCHJCFPCCR-NDEPHWFRSA-N 0 0 446.458 5.243 50 10 IKCARN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000095367814 526680645 /nfs/dbraw/zinc/68/06/45/526680645.db2.gz CKDGFUFAZNAITM-UHFFFAOYSA-N 0 0 432.749 5.114 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000015218443 526797036 /nfs/dbraw/zinc/79/70/36/526797036.db2.gz NHXADBBAVOJIAK-LSCGWGKXSA-N 0 0 435.954 7.551 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1Cc1ccccc1 ZINC000020522414 526941052 /nfs/dbraw/zinc/94/10/52/526941052.db2.gz TYOZOVDDKGLNFR-HMAPJEAMSA-N 0 0 435.545 5.806 50 10 IKCARN O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1ccc(Cl)cc1 ZINC000015012071 526944542 /nfs/dbraw/zinc/94/45/42/526944542.db2.gz JZRHQHNNWPQTAP-RIYZIHGNSA-N 0 0 428.735 5.647 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccccc1 ZINC000008741954 526944743 /nfs/dbraw/zinc/94/47/43/526944743.db2.gz NXTIJCOHPSLGDH-LDADJPATSA-N 0 0 431.460 6.371 50 10 IKCARN O=C1N=C(NCc2ccccc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012437325 527044845 /nfs/dbraw/zinc/04/48/45/527044845.db2.gz FYANTEODNSPILX-XDHOZWIPSA-N 0 0 439.334 5.469 50 10 IKCARN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000020523059 527082297 /nfs/dbraw/zinc/08/22/97/527082297.db2.gz IGOGGZBSBXGQKZ-ONUIUJJFSA-N 0 0 443.506 5.304 50 10 IKCARN O=C1c2ccccc2N[C@H](c2ccc(N3CCCC3)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000016524319 527134723 /nfs/dbraw/zinc/13/47/23/527134723.db2.gz UYHIYUSIQTXDHW-QHCPKHFHSA-N 0 0 437.465 6.077 50 10 IKCARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(OC(F)(F)F)cc1)CO3 ZINC000020934040 527473907 /nfs/dbraw/zinc/47/39/07/527473907.db2.gz YWEDFULSNAWDNP-UHFFFAOYSA-N 0 0 439.389 5.715 50 10 IKCARN CCOc1ccc(NC(=S)N(Cc2ccc3c(c2)CCCN3CC)C2CCCC2)cc1 ZINC000003586062 535750810 /nfs/dbraw/zinc/75/08/10/535750810.db2.gz OATMXQGRQNTRJY-UHFFFAOYSA-N 0 0 437.653 5.999 50 10 IKCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000009061210 536705648 /nfs/dbraw/zinc/70/56/48/536705648.db2.gz DXXDKINUCLPCQT-UHFFFAOYSA-N 0 0 447.318 5.351 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1ccc(C)cc1 ZINC000000628661 555513752 /nfs/dbraw/zinc/51/37/52/555513752.db2.gz NQCOGTFDMSWUIK-UHFFFAOYSA-N 0 0 440.572 5.882 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1 ZINC000000628537 555513801 /nfs/dbraw/zinc/51/38/01/555513801.db2.gz WBZNMEVXXZKEQW-UHFFFAOYSA-N 0 0 448.573 5.335 50 10 IKCARN CC(C)COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 ZINC000000674494 555533440 /nfs/dbraw/zinc/53/34/40/555533440.db2.gz GDFINKGIRIISAS-OEAKJJBVSA-N 0 0 440.499 5.285 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@H](C)CC3)c(OC)c1 ZINC000000729125 555552268 /nfs/dbraw/zinc/55/22/68/555552268.db2.gz KBLIPTCCPDKSAU-CQSZACIVSA-N 0 0 440.565 5.656 50 10 IKCARN O=C(CCc1ccccc1)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000801035 555559304 /nfs/dbraw/zinc/55/93/04/555559304.db2.gz MLYRZBIFYSWKHF-AREMUKBSSA-N 0 0 426.472 5.292 50 10 IKCARN O=C(CCc1ccccc1)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21 ZINC000000801038 555559335 /nfs/dbraw/zinc/55/93/35/555559335.db2.gz WBKUPKIFXMUTBN-SANMLTNESA-N 0 0 426.472 5.292 50 10 IKCARN COc1cc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000000846837 555569696 /nfs/dbraw/zinc/56/96/96/555569696.db2.gz DQCPQSBZPWAWPX-RUZDIDTESA-N 0 0 443.499 5.091 50 10 biogenic,in-vitro IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)c1 ZINC000000920927 555584671 /nfs/dbraw/zinc/58/46/71/555584671.db2.gz AHKWXSLIFNHFET-UHFFFAOYSA-N 0 0 442.606 5.960 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccncc2)C[C@@H](C)CC3)c1 ZINC000000920901 555584697 /nfs/dbraw/zinc/58/46/97/555584697.db2.gz NMIYVWQXIVTRSS-HNNXBMFYSA-N 0 0 437.565 5.150 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c43)CCC5)c2C)cc1 ZINC000000950092 555588781 /nfs/dbraw/zinc/58/87/81/555588781.db2.gz VTNZFSIZTVXJQP-UHFFFAOYSA-N 0 0 449.601 5.571 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000001011191 555601950 /nfs/dbraw/zinc/60/19/50/555601950.db2.gz JGJWIKTXDAZMNW-MTJSOVHGSA-N 0 0 440.927 6.123 50 10 IKCARN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1Cl ZINC000001011290 555601991 /nfs/dbraw/zinc/60/19/91/555601991.db2.gz XMCIPBYUOZCZPS-AUWJEWJLSA-N 0 0 443.764 5.193 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000001028533 555605002 /nfs/dbraw/zinc/60/50/02/555605002.db2.gz QNAPXNYKNJLCJG-LFMVTYOGSA-N 0 0 440.373 5.634 50 10 IKCARN COC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 ZINC000001129499 555643703 /nfs/dbraw/zinc/64/37/03/555643703.db2.gz SEGTYIUMLOFUGS-RUZDIDTESA-N 0 0 430.456 5.070 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccco1 ZINC000001133638 555646088 /nfs/dbraw/zinc/64/60/88/555646088.db2.gz WCQDBZZDDFJZDJ-SXGWCWSVSA-N 0 0 436.341 6.248 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S ZINC000001160908 555661741 /nfs/dbraw/zinc/66/17/41/555661741.db2.gz BWNQITLQMXBYPH-BOPFTXTBSA-N 0 0 434.380 5.249 50 10 IKCARN CCc1cc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2c(C[NH+](C)C)c1[O-] ZINC000001171752 555667337 /nfs/dbraw/zinc/66/73/37/555667337.db2.gz DIMLCRDMPLQZGM-UHFFFAOYSA-N 0 0 425.378 5.073 50 10 IKCARN CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001182667 555672519 /nfs/dbraw/zinc/67/25/19/555672519.db2.gz KDUFMVAFFJQHFS-RGEXLXHISA-N 0 0 445.009 5.523 50 10 IKCARN CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001182955 555672865 /nfs/dbraw/zinc/67/28/65/555672865.db2.gz DQAPJOAKCOISGB-AQTBWJFISA-N 0 0 430.982 5.132 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000001186491 555674319 /nfs/dbraw/zinc/67/43/19/555674319.db2.gz PKWZYWVRJWTTPH-STZFKDTASA-N 0 0 432.501 5.122 50 10 IKCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001411627 555694392 /nfs/dbraw/zinc/69/43/92/555694392.db2.gz IROIXWYKEQVUKJ-ZDLGFXPLSA-N 0 0 449.384 6.209 50 10 IKCARN O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000001421031 555695326 /nfs/dbraw/zinc/69/53/26/555695326.db2.gz HEQWCUKWRYJVJE-KHCICDEESA-N 0 0 438.499 5.592 50 10 IKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C ZINC000001774105 555713958 /nfs/dbraw/zinc/71/39/58/555713958.db2.gz ZQDJCWPDYLYZRD-STZFKDTASA-N 0 0 449.601 5.927 50 10 IKCARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OCc1ccccc1Cl ZINC000001778908 555714666 /nfs/dbraw/zinc/71/46/66/555714666.db2.gz STBUKZXZHVCMNE-MRXNPFEDSA-N 0 0 434.875 5.624 50 10 IKCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001781220 555714721 /nfs/dbraw/zinc/71/47/21/555714721.db2.gz NBGMLGHWIHALBU-ZSOIEALJSA-N 0 0 444.297 5.874 50 10 IKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000001808282 555717780 /nfs/dbraw/zinc/71/77/80/555717780.db2.gz VCEAWZVQFRWFQY-HNENSFHCSA-N 0 0 442.993 5.653 50 10 IKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001822589 555718716 /nfs/dbraw/zinc/71/87/16/555718716.db2.gz BPIQOSHXQWHSPF-STZFKDTASA-N 0 0 449.601 5.864 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 ZINC000002057011 555731165 /nfs/dbraw/zinc/73/11/65/555731165.db2.gz ZYWWDOBKDRZBQU-UHFFFAOYSA-N 0 0 426.303 6.120 50 10 IKCARN Clc1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000002063439 555732805 /nfs/dbraw/zinc/73/28/05/555732805.db2.gz DACBWLIZQKHTQJ-JKDFXYPNSA-N 0 0 442.127 6.425 50 10 IKCARN Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000002067421 555733687 /nfs/dbraw/zinc/73/36/87/555733687.db2.gz ATVRHHZTBJFHGQ-RCCKNPSSSA-N 0 0 431.538 5.620 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000002067279 555733699 /nfs/dbraw/zinc/73/36/99/555733699.db2.gz CQYHMXMCNYOEQV-UNOMPAQXSA-N 0 0 427.934 6.014 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000002068425 555733942 /nfs/dbraw/zinc/73/39/42/555733942.db2.gz KLPBEOSZXGBESI-PXLXIMEGSA-N 0 0 433.554 5.680 50 10 IKCARN Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000002075878 555736028 /nfs/dbraw/zinc/73/60/28/555736028.db2.gz QVZUYMOBIOCTMC-KGENOOAVSA-N 0 0 435.296 5.731 50 10 IKCARN COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000002160091 555750801 /nfs/dbraw/zinc/75/08/01/555750801.db2.gz GFIOHPQJVIOZPH-UHFFFAOYSA-N 0 0 448.744 6.008 50 10 IKCARN COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002160087 555750851 /nfs/dbraw/zinc/75/08/51/555750851.db2.gz PBZVRCLPTQOKRA-UHFFFAOYSA-N 0 0 448.744 6.008 50 10 IKCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)cc1OCC ZINC000002174106 555752410 /nfs/dbraw/zinc/75/24/10/555752410.db2.gz KEPKZZVKKFLNCC-JWGURIENSA-N 0 0 449.547 5.450 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000002196307 555756858 /nfs/dbraw/zinc/75/68/58/555756858.db2.gz AFDVSWRCFVOOCX-XESZTULISA-N 0 0 433.602 5.847 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002247665 555762276 /nfs/dbraw/zinc/76/22/76/555762276.db2.gz ILPKCRXMXPWIEI-AUWJEWJLSA-N 0 0 434.291 6.418 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000002284814 555765528 /nfs/dbraw/zinc/76/55/28/555765528.db2.gz YISBWUZYCSWQRM-PXNMLYILSA-N 0 0 426.346 5.504 50 10 IKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)c1 ZINC000002324024 555768675 /nfs/dbraw/zinc/76/86/75/555768675.db2.gz OOGDOACCZNZWLN-FYJGNVAPSA-N 0 0 433.602 5.766 50 10 IKCARN COc1ccc(/C=C/C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 ZINC000002581795 555788622 /nfs/dbraw/zinc/78/86/22/555788622.db2.gz WGUNSZPAACSIAQ-QICXOPSUSA-N 0 0 446.444 5.949 50 10 IKCARN CC(C)CN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000002672507 555797496 /nfs/dbraw/zinc/79/74/96/555797496.db2.gz WKILRTNZQRSKGM-HNENSFHCSA-N 0 0 442.993 5.114 50 10 IKCARN O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000002826279 555830974 /nfs/dbraw/zinc/83/09/74/555830974.db2.gz HTSCZEHXUGMGAP-GZTJUZNOSA-N 0 0 447.965 6.629 50 10 IKCARN Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 ZINC000002874139 555851111 /nfs/dbraw/zinc/85/11/11/555851111.db2.gz HARIBFRWAXVXBG-PXLXIMEGSA-N 0 0 441.618 5.797 50 10 IKCARN CCOC(=O)[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC)c1ccccc1 ZINC000002905911 555861290 /nfs/dbraw/zinc/86/12/90/555861290.db2.gz GZNJRBHOGAYPII-AREMUKBSSA-N 0 0 428.484 5.706 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 ZINC000002905817 555861333 /nfs/dbraw/zinc/86/13/33/555861333.db2.gz UEKQAQJSUPSPAN-GDNBJRDFSA-N 0 0 437.327 5.005 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)SC1=S ZINC000002977397 555870312 /nfs/dbraw/zinc/87/03/12/555870312.db2.gz HNMWNCWEMSPDTQ-PXNMLYILSA-N 0 0 442.364 5.933 50 10 IKCARN O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1C1CCCCC1 ZINC000002994333 555875711 /nfs/dbraw/zinc/87/57/11/555875711.db2.gz GGBDIZAQGBJJDN-GIDUJCDVSA-N 0 0 440.373 5.634 50 10 IKCARN CCCCC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002995330 555876007 /nfs/dbraw/zinc/87/60/07/555876007.db2.gz YDLMGZKDOGOGKB-UHFFFAOYSA-N 0 0 443.503 5.309 50 10 IKCARN O=C1c2ccccc2C(=O)C1(Cc1ccccc1Br)c1ccc(Cl)cc1 ZINC000002994791 555876015 /nfs/dbraw/zinc/87/60/15/555876015.db2.gz RHGWXBNAPUJDDP-UHFFFAOYSA-N 0 0 425.709 5.662 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1C1CCCCC1 ZINC000002997476 555876312 /nfs/dbraw/zinc/87/63/12/555876312.db2.gz YUKGXGUNPZZWHG-WOJGMQOQSA-N 0 0 448.953 6.042 50 10 IKCARN CCCCC1(Cc2ccccc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002996295 555876351 /nfs/dbraw/zinc/87/63/51/555876351.db2.gz OBHZAGUJIMDLHA-UHFFFAOYSA-N 0 0 432.951 6.054 50 10 IKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000003003158 555878221 /nfs/dbraw/zinc/87/82/21/555878221.db2.gz FBPHPBRAFLTUIG-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN Cc1cc(C)c2c(c1)occ(/C=C1/SC(=S)N(c3cccc(Cl)c3)C1=O)c2=O ZINC000003126709 555889696 /nfs/dbraw/zinc/88/96/96/555889696.db2.gz KCBUXDBGSLQIAS-CAOOACKPSA-N 0 0 427.934 5.469 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000034847805 555915361 /nfs/dbraw/zinc/91/53/61/555915361.db2.gz FQOIJUDTMMVRSC-YDZHTSKRSA-N 0 0 434.536 6.087 50 10 IKCARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000004102443 555962612 /nfs/dbraw/zinc/96/26/12/555962612.db2.gz MVVPIAAVGAWJNQ-DOFZRALJSA-N 0 0 439.640 6.902 50 10 in-vitro IKCARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2n1 ZINC000004757336 556009827 /nfs/dbraw/zinc/00/98/27/556009827.db2.gz FKWDBYYJPGMZMK-FMIVXFBMSA-N 0 0 449.551 5.067 50 10 IKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1OC ZINC000002673038 556118413 /nfs/dbraw/zinc/11/84/13/556118413.db2.gz OPGCJFPSEMZDJG-RCCKNPSSSA-N 0 0 441.618 5.445 50 10 IKCARN CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S ZINC000002678247 556118459 /nfs/dbraw/zinc/11/84/59/556118459.db2.gz YUKFETMJCPIDAN-PGMHBOJBSA-N 0 0 439.602 5.996 50 10 IKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000002962047 556151239 /nfs/dbraw/zinc/15/12/39/556151239.db2.gz DPUJFRJDYWASKS-GXPOEHQZSA-N 0 0 427.591 5.489 50 10 IKCARN CN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000002962403 556151352 /nfs/dbraw/zinc/15/13/52/556151352.db2.gz MRXSMCXAPSCRGH-HKWRFOASSA-N 0 0 427.591 5.273 50 10 IKCARN Nc1c(C(=O)c2ccc(Cl)cc2)sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000008382954 556158898 /nfs/dbraw/zinc/15/88/98/556158898.db2.gz KRGSCBJQFLOTJV-UHFFFAOYSA-N 0 0 444.947 6.502 50 10 IKCARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000008426562 556168874 /nfs/dbraw/zinc/16/88/74/556168874.db2.gz CBEDKEKWWBISMC-NFBKMPQASA-N 0 0 435.321 5.705 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000008426714 556169091 /nfs/dbraw/zinc/16/90/91/556169091.db2.gz DGBYBHFQPFLNJH-SIKLNZKXSA-N 0 0 445.733 6.595 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl ZINC000008430306 556170201 /nfs/dbraw/zinc/17/02/01/556170201.db2.gz NKWYDFIVFJQEJW-UYRXBGFRSA-N 0 0 446.334 5.669 50 10 IKCARN CCOC(=O)c1cc(NC=C2C(=O)N(c3cccc4ccccc43)N=C2C)ccc1Cl ZINC000008430622 556170493 /nfs/dbraw/zinc/17/04/93/556170493.db2.gz ZBTPHTNWEZSKFG-ZHZULCJRSA-N 0 0 433.895 5.388 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCc1ccccc1 ZINC000008435054 556173057 /nfs/dbraw/zinc/17/30/57/556173057.db2.gz JXCZVFRJRLIWLV-XSFVSMFZSA-N 0 0 425.962 6.044 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1cc(Cl)ccc1O)c1ccc(C)cc1 ZINC000008435358 556173353 /nfs/dbraw/zinc/17/33/53/556173353.db2.gz GTCRVSFIFHERSR-QULUYXLPSA-N 0 0 428.919 6.244 50 10 IKCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000008443099 556178074 /nfs/dbraw/zinc/17/80/74/556178074.db2.gz KOJRGVYMXUKPKZ-HMAPJEAMSA-N 0 0 448.906 5.971 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000008450628 556181628 /nfs/dbraw/zinc/18/16/28/556181628.db2.gz MLNPKXOTFKYHIQ-FEGZGKEQSA-N 0 0 441.560 5.417 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=N)S1 ZINC000008453018 556183374 /nfs/dbraw/zinc/18/33/74/556183374.db2.gz JTNAMIRFSUPAIJ-GLGSTRKCSA-N 0 0 438.940 5.194 50 10 IKCARN Cc1ccnc(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000008453095 556183728 /nfs/dbraw/zinc/18/37/28/556183728.db2.gz QLBQGAWRCKNQDY-NRFANRHFSA-N 0 0 434.883 5.715 50 10 IKCARN CCOc1ccc(/N=N/c2c(N)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000008453286 556184074 /nfs/dbraw/zinc/18/40/74/556184074.db2.gz WHDBVSYNYHEYOA-QVIHXGFCSA-N 0 0 434.503 6.460 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)SC1=S ZINC000008455411 556185554 /nfs/dbraw/zinc/18/55/54/556185554.db2.gz JLSCMQXKKWCQFR-AUWJEWJLSA-N 0 0 448.780 6.040 50 10 IKCARN COc1cccc(/C=C\C(=C2\C(C)=NN(c3ccccc3)C2=O)c2ccc(C)cc2)c1OC ZINC000097402240 556186401 /nfs/dbraw/zinc/18/64/01/556186401.db2.gz QVNDILWMFVYOEB-KYXPJFBRSA-N 0 0 438.527 5.902 50 10 IKCARN COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008495962 556186406 /nfs/dbraw/zinc/18/64/06/556186406.db2.gz LVPZLTCMOHQMRF-ALRRYEELSA-N 0 0 439.924 5.095 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc(Br)c1OCC ZINC000008496950 556186921 /nfs/dbraw/zinc/18/69/21/556186921.db2.gz DBCGROGHGBXCOB-LICLKQGHSA-N 0 0 447.304 5.192 50 10 IKCARN Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000008616619 556192699 /nfs/dbraw/zinc/19/26/99/556192699.db2.gz LHFPYKILQZJXPH-CYYJNZCTSA-N 0 0 437.330 8.004 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C1/SC(C(=O)c2ccccc2)=NN1c1ccccc1 ZINC000008636958 556194943 /nfs/dbraw/zinc/19/49/43/556194943.db2.gz CXYUPFAYSKIWIB-NJNXFGOHSA-N 0 0 438.512 5.071 50 10 IKCARN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[NH2+]Cc4ccccc4Cl)cc23)cc1 ZINC000008743385 556208137 /nfs/dbraw/zinc/20/81/37/556208137.db2.gz YAGFEBFXPMPOGE-UHFFFAOYSA-N 0 0 435.907 5.426 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 ZINC000008872060 556229986 /nfs/dbraw/zinc/22/99/86/556229986.db2.gz OHACJBMBYNAUJT-YBFXNURJSA-N 0 0 446.380 6.968 50 10 IKCARN CC(NCCSc1ccc(Cl)cc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000009210622 556257702 /nfs/dbraw/zinc/25/77/02/556257702.db2.gz ZVLQXKVCSYXJEY-CPNJWEJPSA-N 0 0 442.997 5.328 50 10 IKCARN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000009232727 556261964 /nfs/dbraw/zinc/26/19/64/556261964.db2.gz OGTOKMMHLBCKSR-UDWIEESQSA-N 0 0 430.932 5.624 50 10 IKCARN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000009233631 556262395 /nfs/dbraw/zinc/26/23/95/556262395.db2.gz RUVGUAWGVBNFFG-LICLKQGHSA-N 0 0 429.364 5.645 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 ZINC000009310393 556278857 /nfs/dbraw/zinc/27/88/57/556278857.db2.gz PJRBFLPJWSYOSY-YBFXNURJSA-N 0 0 429.925 6.141 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000009311249 556279593 /nfs/dbraw/zinc/27/95/93/556279593.db2.gz SHLQGGGRVKMGQH-RELWKKBWSA-N 0 0 428.963 6.658 50 10 IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000009311267 556279651 /nfs/dbraw/zinc/27/96/51/556279651.db2.gz UTAQBGKDMBEFNI-NCELDCMTSA-N 0 0 444.490 6.733 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000009311262 556279654 /nfs/dbraw/zinc/27/96/54/556279654.db2.gz PWBPGPDGWKKPMR-RELWKKBWSA-N 0 0 439.515 5.912 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 ZINC000009311296 556279666 /nfs/dbraw/zinc/27/96/66/556279666.db2.gz HHEPFLXRIFTODM-OQKWZONESA-N 0 0 448.478 6.635 50 10 IKCARN CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009323966 556281785 /nfs/dbraw/zinc/28/17/85/556281785.db2.gz ZKNYYOPCEOFAKC-UYRXBGFRSA-N 0 0 445.902 5.939 50 10 IKCARN CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013712922 556285105 /nfs/dbraw/zinc/28/51/05/556285105.db2.gz RNXQDTBBKLVIHY-UYRXBGFRSA-N 0 0 437.615 5.482 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013713223 556285407 /nfs/dbraw/zinc/28/54/07/556285407.db2.gz BEXGMKKNNAZJIV-NSIKDUERSA-N 0 0 434.291 6.418 50 10 IKCARN CN(C)c1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)cc1 ZINC000009427320 556290896 /nfs/dbraw/zinc/29/08/96/556290896.db2.gz GIRLKHLXEDNRHM-XNTDXEJSSA-N 0 0 446.348 5.385 50 10 IKCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000013750169 556298709 /nfs/dbraw/zinc/29/87/09/556298709.db2.gz CTAHPQVVZIYHCC-PXNMLYILSA-N 0 0 426.346 5.416 50 10 IKCARN Cc1ccc(Nc2nc3ccc(C)cc3c(-c3ccccc3)c2C)c(C(=O)c2ccccc2)c1 ZINC000009600979 556302490 /nfs/dbraw/zinc/30/24/90/556302490.db2.gz CFGPMUDWDOUZAT-UHFFFAOYSA-N 0 0 442.562 7.802 50 10 IKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@H](C)O1 ZINC000013774779 556306788 /nfs/dbraw/zinc/30/67/88/556306788.db2.gz UXLCMHBQTNGESC-RZJAJNODSA-N 0 0 436.455 5.045 50 10 IKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013801416 556310438 /nfs/dbraw/zinc/31/04/38/556310438.db2.gz NOYXKZHAHGYWGB-QNGOZBTKSA-N 0 0 449.601 5.549 50 10 IKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)ccc1OC(C)C ZINC000013801372 556310456 /nfs/dbraw/zinc/31/04/56/556310456.db2.gz ZVTXINYZIGMZDV-BKUYFWCQSA-N 0 0 449.601 5.466 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000013801428 556310535 /nfs/dbraw/zinc/31/05/35/556310535.db2.gz MYTXWHWPCPVQBJ-YVLHZVERSA-N 0 0 434.945 5.018 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000013802092 556310902 /nfs/dbraw/zinc/31/09/02/556310902.db2.gz LGHZZTWJNIRMSS-WQRHYEAKSA-N 0 0 448.972 5.408 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000013811149 556312237 /nfs/dbraw/zinc/31/22/37/556312237.db2.gz QEQHEXSVXPGCTB-SIXFRIEVSA-N 0 0 431.348 5.568 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000013810829 556312315 /nfs/dbraw/zinc/31/23/15/556312315.db2.gz LMSARDMLOJSSTD-JHBSOEOQSA-N 0 0 431.348 5.568 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000013811241 556312612 /nfs/dbraw/zinc/31/26/12/556312612.db2.gz IQVCENWHNRASMZ-JFBLTNLISA-N 0 0 431.348 5.568 50 10 IKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21)N1CCOCC1 ZINC000010007337 556320419 /nfs/dbraw/zinc/32/04/19/556320419.db2.gz MZXBRFVCLOJESL-QYWGDWMGSA-N 0 0 429.347 5.292 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000013893433 556327616 /nfs/dbraw/zinc/32/76/16/556327616.db2.gz IKVQBKLILAPQRR-OMLAYDHKSA-N 0 0 449.492 5.054 50 10 IKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(-c5cccc(Cl)c5)o4)C3=N)S2)cc1 ZINC000013893631 556327960 /nfs/dbraw/zinc/32/79/60/556327960.db2.gz WFBYMYXMEOZAPM-QDLOHUEYSA-N 0 0 446.919 5.576 50 10 IKCARN N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013895105 556328559 /nfs/dbraw/zinc/32/85/59/556328559.db2.gz JQVPHAXEVALNCU-ZKNSXIRRSA-N 0 0 437.524 5.570 50 10 IKCARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000013915505 556332627 /nfs/dbraw/zinc/33/26/27/556332627.db2.gz LCAVIDKLGHBRJA-RGEXLXHISA-N 0 0 437.326 6.379 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000013940227 556337643 /nfs/dbraw/zinc/33/76/43/556337643.db2.gz FWKHSHMKGNKQDK-YFLSHCIVSA-N 0 0 432.549 5.636 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000013941773 556338667 /nfs/dbraw/zinc/33/86/67/556338667.db2.gz QKYDTYKAFFPSKP-MOSHPQCFSA-N 0 0 437.268 5.128 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc(Cl)c(C)c1 ZINC000013942356 556339314 /nfs/dbraw/zinc/33/93/14/556339314.db2.gz JHVDEJMAEGYQOJ-HAVVHWLPSA-N 0 0 446.934 5.912 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000013942407 556339766 /nfs/dbraw/zinc/33/97/66/556339766.db2.gz WQWJJQNMZXNYNB-UQQQWYQISA-N 0 0 440.543 5.670 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=N)S1 ZINC000013942779 556340385 /nfs/dbraw/zinc/34/03/85/556340385.db2.gz JTNAMIRFSUPAIJ-JNTYBJLZSA-N 0 0 438.940 5.194 50 10 IKCARN CCOc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc54)CC3)=NC2=O)cc1 ZINC000013943256 556340671 /nfs/dbraw/zinc/34/06/71/556340671.db2.gz FULHIMNNQRTLPO-MOHJPFBDSA-N 0 0 443.572 5.031 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000014009197 556354167 /nfs/dbraw/zinc/35/41/67/556354167.db2.gz WTOQDPBERXPQJY-BOPFTXTBSA-N 0 0 432.303 5.269 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc43)SC2=S)cc1 ZINC000004508940 556373262 /nfs/dbraw/zinc/37/32/62/556373262.db2.gz BTJGVIOJTWTRLF-HZHRSRAPSA-N 0 0 427.550 6.407 50 10 IKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1 ZINC000032593915 556407542 /nfs/dbraw/zinc/40/75/42/556407542.db2.gz IPDLFXGDCZBRRB-KGENOOAVSA-N 0 0 439.533 5.538 50 10 IKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@H]42)c1 ZINC000229960234 556413508 /nfs/dbraw/zinc/41/35/08/556413508.db2.gz YBSJBYCBSDKPCS-REJRFELZSA-N 0 0 449.348 6.252 50 10 IKCARN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000028212836 556445903 /nfs/dbraw/zinc/44/59/03/556445903.db2.gz RNDUVUOEOQNPKG-HMFYCAOWSA-N 0 0 436.349 6.446 50 10 IKCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(Br)o2)c2ccccn2)cc1 ZINC000028291163 556449739 /nfs/dbraw/zinc/44/97/39/556449739.db2.gz PECJRLMHACUCGK-UHFFFAOYSA-N 0 0 428.330 5.130 50 10 IKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 ZINC000028291144 556449814 /nfs/dbraw/zinc/44/98/14/556449814.db2.gz FPEYDGZPEDEIFB-UHFFFAOYSA-N 0 0 438.369 5.537 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3C)s2)c(C)n1-c1ccccc1 ZINC000013063175 556451718 /nfs/dbraw/zinc/45/17/18/556451718.db2.gz CEKOPNIEZKCNKG-UHFFFAOYSA-N 0 0 434.590 5.973 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 ZINC000013096046 556456932 /nfs/dbraw/zinc/45/69/32/556456932.db2.gz LYBWDGBRHKATAF-UHFFFAOYSA-N 0 0 430.273 5.035 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 ZINC000013096272 556457029 /nfs/dbraw/zinc/45/70/29/556457029.db2.gz LWBURZOPYYXGCJ-XDHOZWIPSA-N 0 0 438.486 5.269 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1C ZINC000013108891 556462589 /nfs/dbraw/zinc/46/25/89/556462589.db2.gz CDWYCWUWGVGNDJ-PAMLCIOASA-N 0 0 438.556 5.707 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)c2C)cc1 ZINC000013117241 556469484 /nfs/dbraw/zinc/46/94/84/556469484.db2.gz AFLWZOXJGFOGFP-UHFFFAOYSA-N 0 0 449.507 5.396 50 10 IKCARN Cc1cc(-c2csc(NC(=O)Cc3ccsc3)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013132085 556481060 /nfs/dbraw/zinc/48/10/60/556481060.db2.gz JNFFPIYSUNIWBZ-UHFFFAOYSA-N 0 0 437.546 5.189 50 10 IKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc(F)cc1 ZINC000015011550 556483362 /nfs/dbraw/zinc/48/33/62/556483362.db2.gz KBXQYGSVMUUUMC-XSFVSMFZSA-N 0 0 435.501 5.451 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3cc(-c4ccccc4)ccc3OC)C2=O)ccc1O ZINC000015011942 556483377 /nfs/dbraw/zinc/48/33/77/556483377.db2.gz OXNRACRRLHPVFU-LPYMAVHISA-N 0 0 449.553 5.482 50 10 IKCARN O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccccc1 ZINC000015011544 556483395 /nfs/dbraw/zinc/48/33/95/556483395.db2.gz WUMWEBLODRTFQK-KGENOOAVSA-N 0 0 437.973 6.325 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccccc1 ZINC000015011559 556483494 /nfs/dbraw/zinc/48/34/94/556483494.db2.gz WAKXFSSJOQKGFH-KGENOOAVSA-N 0 0 448.525 5.580 50 10 IKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Oc4ccccc4)c3)c(O)c2n1 ZINC000015015686 556484757 /nfs/dbraw/zinc/48/47/57/556484757.db2.gz ICTCRAUTUKBQIN-SANMLTNESA-N 0 0 433.511 6.638 50 10 IKCARN CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1OCC ZINC000015015721 556484813 /nfs/dbraw/zinc/48/48/13/556484813.db2.gz GIWMLLDBFDPOEQ-XMMPIXPASA-N 0 0 429.520 5.643 50 10 IKCARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000015015615 556484873 /nfs/dbraw/zinc/48/48/73/556484873.db2.gz MFCWHXAXSHFDJA-UCQKPKSFSA-N 0 0 440.587 6.947 50 10 IKCARN Cc1cccc(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000015015895 556485163 /nfs/dbraw/zinc/48/51/63/556485163.db2.gz XPYSRKPOTZOHOF-AREMUKBSSA-N 0 0 439.559 6.475 50 10 IKCARN Cc1ccnc(N[C@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016655 556485856 /nfs/dbraw/zinc/48/58/56/556485856.db2.gz PZEUMJUWHZCRJQ-OAQYLSRUSA-N 0 0 434.337 5.916 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)c(C)n1-c1ccc(F)cc1 ZINC000013142031 556487133 /nfs/dbraw/zinc/48/71/33/556487133.db2.gz BMEOXGXIGCFKCR-UHFFFAOYSA-N 0 0 442.490 5.310 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000013170770 556498606 /nfs/dbraw/zinc/49/86/06/556498606.db2.gz AGXTUCJPTFEPMY-UYAJQHSGSA-N 0 0 431.348 5.568 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013590969 556529110 /nfs/dbraw/zinc/52/91/10/556529110.db2.gz NVNXJRIIIGQALF-YRUBURHZSA-N 0 0 440.373 5.634 50 10 IKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013646752 556543880 /nfs/dbraw/zinc/54/38/80/556543880.db2.gz WOQQFSMYUKNPHA-BKUYFWCQSA-N 0 0 449.601 5.405 50 10 IKCARN COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000032694311 556546676 /nfs/dbraw/zinc/54/66/76/556546676.db2.gz YVXBAFGQTUNKGP-NBVRZTHBSA-N 0 0 446.619 5.157 50 10 IKCARN Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000032694307 556546693 /nfs/dbraw/zinc/54/66/93/556546693.db2.gz IASULAINUXJMIE-NBVRZTHBSA-N 0 0 430.620 5.457 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000032694309 556546704 /nfs/dbraw/zinc/54/67/04/556546704.db2.gz XCXJVQOKZVYAGE-NBVRZTHBSA-N 0 0 430.620 5.457 50 10 IKCARN CC(C)(C)c1ccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000015857087 556557909 /nfs/dbraw/zinc/55/79/09/556557909.db2.gz UNJBYDXKBMELBO-HMMYKYKNSA-N 0 0 427.591 5.321 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1O ZINC000015930714 556565054 /nfs/dbraw/zinc/56/50/54/556565054.db2.gz UDGKUBWCQROJAB-VIZOYTHASA-N 0 0 435.705 5.013 50 10 IKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000015945720 556566838 /nfs/dbraw/zinc/56/68/38/556566838.db2.gz XTKDSGVCZBCGGC-ADLMAVQZSA-N 0 0 449.414 6.186 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000015945508 556566858 /nfs/dbraw/zinc/56/68/58/556566858.db2.gz CEQSKBRYFYQAHD-BOOKBWCNSA-N 0 0 426.929 5.799 50 10 IKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000015945722 556567044 /nfs/dbraw/zinc/56/70/44/556567044.db2.gz XTKDSGVCZBCGGC-BBATYDOGSA-N 0 0 449.414 6.186 50 10 IKCARN Nc1ccc(Oc2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000002819801 556575120 /nfs/dbraw/zinc/57/51/20/556575120.db2.gz WNQWEEZHLLRAAD-UHFFFAOYSA-N 0 0 425.438 6.617 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000034798264 556582632 /nfs/dbraw/zinc/58/26/32/556582632.db2.gz IWQHEFPJXYAAQM-TUKHXMGSSA-N 0 0 445.592 5.602 50 10 IKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cc(Cl)cc(Cl)c2)C(=O)C1 ZINC000034877735 556585308 /nfs/dbraw/zinc/58/53/08/556585308.db2.gz MOZHDJQSAFGFOJ-LBPRGKRZSA-N 0 0 449.175 6.979 50 10 IKCARN CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccccc3)C2=N)S1)c1ccccc1 ZINC000032964360 556587095 /nfs/dbraw/zinc/58/70/95/556587095.db2.gz BVQFDONBDSVKPM-ZJDDUMJHSA-N 0 0 439.544 5.290 50 10 IKCARN N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000032964457 556587202 /nfs/dbraw/zinc/58/72/02/556587202.db2.gz DOBSIBJHIHOUON-PTMKURNPSA-N 0 0 437.956 5.330 50 10 IKCARN O=C1/C(=C/c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016525760 556614332 /nfs/dbraw/zinc/61/43/32/556614332.db2.gz JSERCKOEOLWHLT-HMAPJEAMSA-N 0 0 442.521 6.307 50 10 IKCARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100555847 556619492 /nfs/dbraw/zinc/61/94/92/556619492.db2.gz ATJQBJZBLFLCNC-OEAKJJBVSA-N 0 0 447.332 5.834 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[C@@]21C ZINC000033680486 556621270 /nfs/dbraw/zinc/62/12/70/556621270.db2.gz ZBMNCDSLPYJJTF-QKDODKLFSA-N 0 0 436.596 6.224 50 10 IKCARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672155 556621932 /nfs/dbraw/zinc/62/19/32/556621932.db2.gz VMQTWCRNUUAREG-RUZDIDTESA-N 0 0 439.939 5.219 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 ZINC000033694452 556622572 /nfs/dbraw/zinc/62/25/72/556622572.db2.gz LCXHQOWSMXMULZ-HMAPJEAMSA-N 0 0 435.545 5.806 50 10 IKCARN Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] ZINC000039936369 556630564 /nfs/dbraw/zinc/63/05/64/556630564.db2.gz NAULBUWJGXCSOS-CZSZKKDXSA-N 0 0 443.478 6.121 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000016738297 556633872 /nfs/dbraw/zinc/63/38/72/556633872.db2.gz VQZWPIWEDOSQMV-GEEUODSKSA-N 0 0 436.602 5.398 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000017299752 556674834 /nfs/dbraw/zinc/67/48/34/556674834.db2.gz PJOBTQFLMOYSBO-UYRXBGFRSA-N 0 0 426.310 5.025 50 10 IKCARN COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000018190090 556686077 /nfs/dbraw/zinc/68/60/77/556686077.db2.gz PHJSFZUPVICELW-QHCPKHFHSA-N 0 0 445.519 5.180 50 10 IKCARN COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC ZINC000018204295 556686633 /nfs/dbraw/zinc/68/66/33/556686633.db2.gz BITXZZNWWHVZPE-QFIPXVFZSA-N 0 0 449.938 5.824 50 10 IKCARN O=C(OCc1ccccc1)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000000950306 556690037 /nfs/dbraw/zinc/69/00/37/556690037.db2.gz PZOHJGLEQFGSAT-UHFFFAOYSA-N 0 0 431.447 5.225 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000000826365 556699755 /nfs/dbraw/zinc/69/97/55/556699755.db2.gz FOBOPDVAKKCJLH-UHFFFAOYSA-N 0 0 436.309 5.576 50 10 IKCARN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000013602712 556701663 /nfs/dbraw/zinc/70/16/63/556701663.db2.gz JODSGVVAMBHKOV-NVNXTCNLSA-N 0 0 440.424 5.028 50 10 IKCARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1cccc(Cl)c1C ZINC000005182456 556722685 /nfs/dbraw/zinc/72/26/85/556722685.db2.gz WDBKGGNGCDHPRX-UHFFFAOYSA-N 0 0 428.960 6.283 50 10 IKCARN O=C1C(=C/C=C\c2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000033909348 556723560 /nfs/dbraw/zinc/72/35/60/556723560.db2.gz FHYDEBBTECHCLY-LUAWRHEFSA-N 0 0 444.943 5.645 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 ZINC000101123333 556729743 /nfs/dbraw/zinc/72/97/43/556729743.db2.gz MTOGYYHZWXZMBK-PLNGWDEDSA-N 0 0 442.515 5.666 50 10 IKCARN CN(C)c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000019329526 556736447 /nfs/dbraw/zinc/73/64/47/556736447.db2.gz MNJHFOUCCMKMKT-UHFFFAOYSA-N 0 0 430.552 5.068 50 10 IKCARN CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000002258542 556760136 /nfs/dbraw/zinc/76/01/36/556760136.db2.gz JUZXLVSWFMKAKY-QJOMJCCJSA-N 0 0 426.516 5.627 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000034256818 556812789 /nfs/dbraw/zinc/81/27/89/556812789.db2.gz FUZVLPXKNCYQGI-TUKHXMGSSA-N 0 0 445.592 5.353 50 10 IKCARN CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)cc1OCC ZINC000034379024 556825520 /nfs/dbraw/zinc/82/55/20/556825520.db2.gz KEPKZZVKKFLNCC-CJLVFECKSA-N 0 0 449.547 5.450 50 10 IKCARN Cc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3ccccc3n2)c1 ZINC000019636188 556835037 /nfs/dbraw/zinc/83/50/37/556835037.db2.gz VNWLXYWTMWSXSQ-ULIFNZDWSA-N 0 0 442.522 7.878 50 10 IKCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1CNc1ccccc1Cl ZINC000334161281 556837186 /nfs/dbraw/zinc/83/71/86/556837186.db2.gz YAJHVMFHCQXDFS-DHDCSXOGSA-N 0 0 439.787 5.373 50 10 IKCARN Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1Cl ZINC000008843395 556849675 /nfs/dbraw/zinc/84/96/75/556849675.db2.gz JPVZEVQJXSZSNV-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN Cc1n[nH]cc1CNC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114840 556861450 /nfs/dbraw/zinc/86/14/50/556861450.db2.gz XFBFPYUBLBNAPC-UHFFFAOYSA-N 0 0 442.538 5.514 50 10 IKCARN O=C(NCc1cccnc1)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114823 556861465 /nfs/dbraw/zinc/86/14/65/556861465.db2.gz VWPMXUDGTMQAIK-UHFFFAOYSA-N 0 0 439.534 5.877 50 10 IKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC[C@@H]4CCCO4)cc2)CCCCC3)c1 ZINC000033114806 556861528 /nfs/dbraw/zinc/86/15/28/556861528.db2.gz OXVRVHSIPJKPCP-VWLOTQADSA-N 0 0 444.575 5.331 50 10 IKCARN C[C@H]1CCCCN1C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097955976 556873545 /nfs/dbraw/zinc/87/35/45/556873545.db2.gz ZWGHCWGHQBIICU-SEVAELMZSA-N 0 0 430.430 5.497 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1cc(Cl)ccc1O)c1ccc(C)cc1 ZINC000033248721 556889662 /nfs/dbraw/zinc/88/96/62/556889662.db2.gz GTCRVSFIFHERSR-DDTDMLJBSA-N 0 0 428.919 6.244 50 10 IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)c1 ZINC000019791778 556915180 /nfs/dbraw/zinc/91/51/80/556915180.db2.gz HCHHQTIBQNVNLH-UHFFFAOYSA-N 0 0 447.453 5.850 50 10 biogenic IKCARN Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2C(F)(F)F)c1 ZINC000019791753 556915196 /nfs/dbraw/zinc/91/51/96/556915196.db2.gz PJSVVGVLPLVIJS-UHFFFAOYSA-N 0 0 433.426 5.522 50 10 biogenic IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@@H]4C)c3oc2C(F)(F)F)c1 ZINC000019791548 556915229 /nfs/dbraw/zinc/91/52/29/556915229.db2.gz FGHLSHCVMZJNMM-HNNXBMFYSA-N 0 0 447.453 5.993 50 10 biogenic IKCARN CCc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2C(F)(F)F)cc1 ZINC000019793042 556915523 /nfs/dbraw/zinc/91/55/23/556915523.db2.gz AXTZOWXYLTZLJT-UHFFFAOYSA-N 0 0 433.426 5.468 50 10 IKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000019800536 556917464 /nfs/dbraw/zinc/91/74/64/556917464.db2.gz NPZATDZMWXKCKZ-LTGZKZEYSA-N 0 0 433.602 5.931 50 10 IKCARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000019842060 556929782 /nfs/dbraw/zinc/92/97/82/556929782.db2.gz ZTUGQVFCLTYCDQ-PLRJNAJWSA-N 0 0 439.584 5.142 50 10 IKCARN CC1CCN(C(=O)c2ccc(/N=N/[C@@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)CC1 ZINC000097956098 556977226 /nfs/dbraw/zinc/97/72/26/556977226.db2.gz REOLJOINEXVZNC-MSJHBLJNSA-N 0 0 430.430 5.355 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc([C@@H]3Nc4ccc5ccccc5c4[C@@H]4C=CC[C@H]43)c2)cc1 ZINC000017264477 557047855 /nfs/dbraw/zinc/04/78/55/557047855.db2.gz QLOPSLVVXLHZEG-GEBXHLAXSA-N 0 0 430.551 7.227 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000033293817 557072209 /nfs/dbraw/zinc/07/22/09/557072209.db2.gz HSYPUNMMXYCJFT-UDWIEESQSA-N 0 0 426.900 6.128 50 10 IKCARN CC(C)N1C(=O)/C(=C\c2ccc(COc3cccc(Cl)c3Cl)o2)SC1=S ZINC000033294954 557072590 /nfs/dbraw/zinc/07/25/90/557072590.db2.gz XPKRCVQOWRQMMY-OVCLIPMQSA-N 0 0 428.362 5.775 50 10 IKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000017542627 557095166 /nfs/dbraw/zinc/09/51/66/557095166.db2.gz YTNOPPYEOPNSKW-UNOMPAQXSA-N 0 0 438.270 5.736 50 10 IKCARN Cc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 ZINC000033314433 557098981 /nfs/dbraw/zinc/09/89/81/557098981.db2.gz YADWDLPWBYGWQZ-NDENLUEZSA-N 0 0 435.530 5.408 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3NC(C)(C)C2=S)S1 ZINC000033347561 557123080 /nfs/dbraw/zinc/12/30/80/557123080.db2.gz HDJBMCKNXAQGRX-PGMHBOJBSA-N 0 0 425.600 5.951 50 10 IKCARN COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O ZINC000098086622 557123548 /nfs/dbraw/zinc/12/35/48/557123548.db2.gz QDSKMRDUBZPTOO-NVNXTCNLSA-N 0 0 440.771 5.517 50 10 IKCARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002882210 557135083 /nfs/dbraw/zinc/13/50/83/557135083.db2.gz QFLNDZVGMNITNO-UHFFFAOYSA-N 0 0 438.936 5.015 50 10 IKCARN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000000706009 557140082 /nfs/dbraw/zinc/14/00/82/557140082.db2.gz NUXIULFPJVAFPI-LPTDTENNSA-N 0 0 447.376 5.854 50 10 IKCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)S2)CC1 ZINC000000723947 557152137 /nfs/dbraw/zinc/15/21/37/557152137.db2.gz ZLANVFKGHZRUOD-QJOMJCCJSA-N 0 0 429.545 5.048 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1Cl ZINC000022185050 557180875 /nfs/dbraw/zinc/18/08/75/557180875.db2.gz VXYGSJZRUIZCAV-XDHOZWIPSA-N 0 0 433.982 5.539 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000100867054 557194761 /nfs/dbraw/zinc/19/47/61/557194761.db2.gz HWGUVWCWCQPEIS-JLPGSUDCSA-N 0 0 444.494 6.092 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(c4ccccc4F)CCCC3)c2C)cc1 ZINC000025390936 557207468 /nfs/dbraw/zinc/20/74/68/557207468.db2.gz ZOKWUQSHRQRXRY-UHFFFAOYSA-N 0 0 449.522 5.480 50 10 IKCARN COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000100957417 557207476 /nfs/dbraw/zinc/20/74/76/557207476.db2.gz NPCWPROXYLZUIJ-OVCLIPMQSA-N 0 0 440.124 5.571 50 10 IKCARN CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025559550 557214345 /nfs/dbraw/zinc/21/43/45/557214345.db2.gz KBTPBDVRURBDLC-ISKFKSNPSA-N 0 0 448.364 5.757 50 10 IKCARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)c1 ZINC000025581946 557216696 /nfs/dbraw/zinc/21/66/96/557216696.db2.gz MJNBPQFGXZARHX-ILBGXUMGSA-N 0 0 433.939 5.657 50 10 IKCARN CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(CCc2ccccc2)C1=O)c1ccc(C)cc1 ZINC000025760769 557224422 /nfs/dbraw/zinc/22/44/22/557224422.db2.gz USEGQYVHHZLDQU-KMMKQASFSA-N 0 0 448.613 5.405 50 10 IKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000100080687 557233905 /nfs/dbraw/zinc/23/39/05/557233905.db2.gz IWECCNGPCWSYBA-WOJGMQOQSA-N 0 0 431.706 6.713 50 10 IKCARN CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000100075035 557239920 /nfs/dbraw/zinc/23/99/20/557239920.db2.gz QYUMVFILILTGIP-HAVVHWLPSA-N 0 0 441.487 6.219 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000018173630 557245633 /nfs/dbraw/zinc/24/56/33/557245633.db2.gz MRESIZYIMNGHKT-TXTKFYIRSA-N 0 0 430.891 6.306 50 10 IKCARN O=C(C(=O)c1ccc2c(c1)-c1cc(C(=O)C(=O)c3ccccc3)ccc1C2=O)c1ccccc1 ZINC000018192190 557246932 /nfs/dbraw/zinc/24/69/32/557246932.db2.gz ZYNXBLADBLRQDT-UHFFFAOYSA-N 0 0 444.442 5.029 50 10 IKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000027018109 557254248 /nfs/dbraw/zinc/25/42/48/557254248.db2.gz NPZATDZMWXKCKZ-PGMHBOJBSA-N 0 0 433.602 5.931 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S ZINC000027018279 557254457 /nfs/dbraw/zinc/25/44/57/557254457.db2.gz CHCQIZGOAKVLOS-HMAPJEAMSA-N 0 0 447.629 6.192 50 10 IKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O ZINC000027018415 557254573 /nfs/dbraw/zinc/25/45/73/557254573.db2.gz WOXCKSZFIPNRNQ-BKUYFWCQSA-N 0 0 433.602 5.802 50 10 IKCARN O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000027061404 557256312 /nfs/dbraw/zinc/25/63/12/557256312.db2.gz AEGRPEZBLVBOQF-XCPFNPAFSA-N 0 0 435.570 5.127 50 10 IKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000101112775 557256344 /nfs/dbraw/zinc/25/63/44/557256344.db2.gz SALDKHIGYLSUJX-WOJGMQOQSA-N 0 0 432.307 5.277 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O ZINC000027229107 557258851 /nfs/dbraw/zinc/25/88/51/557258851.db2.gz CBKCFDVYEDAZPJ-VIZOYTHASA-N 0 0 445.871 5.479 50 10 IKCARN O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000100534426 557263629 /nfs/dbraw/zinc/26/36/29/557263629.db2.gz RUGXSZXNFBPZKD-USTXVIIHSA-N 0 0 440.528 6.214 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(Cl)cc1)cc3NC1CCCCC1 ZINC000100713574 557270852 /nfs/dbraw/zinc/27/08/52/557270852.db2.gz BAVZTJWIFMRVIX-UHFFFAOYSA-N 0 0 443.934 7.181 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000101077975 557282292 /nfs/dbraw/zinc/28/22/92/557282292.db2.gz FEAAUPDJOGRYSS-HZHRSRAPSA-N 0 0 447.332 5.834 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000101126630 557283419 /nfs/dbraw/zinc/28/34/19/557283419.db2.gz XJEPTHCZRREENG-HAVVHWLPSA-N 0 0 435.439 5.689 50 10 IKCARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000101998979 557311390 /nfs/dbraw/zinc/31/13/90/557311390.db2.gz HBGAEZNOEGBBJK-HHHXNRCGSA-N 0 0 445.607 6.591 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000102487538 557331479 /nfs/dbraw/zinc/33/14/79/557331479.db2.gz SVVYYRVASAXYKX-SANMLTNESA-N 0 0 433.596 6.727 50 10 IKCARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102489370 557331928 /nfs/dbraw/zinc/33/19/28/557331928.db2.gz AVJMDCFRAVPEOG-DEOSSOPVSA-N 0 0 448.636 5.913 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000033343006 557333782 /nfs/dbraw/zinc/33/37/82/557333782.db2.gz GLMMAOTVXAHXJG-OQKWZONESA-N 0 0 439.627 6.259 50 10 IKCARN Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000033343270 557333881 /nfs/dbraw/zinc/33/38/81/557333881.db2.gz UOMVZQOOGRRXFU-BKUYFWCQSA-N 0 0 431.467 5.357 50 10 IKCARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000100147751 557335041 /nfs/dbraw/zinc/33/50/41/557335041.db2.gz LCAVIDKLGHBRJA-XMHGGMMESA-N 0 0 437.326 6.379 50 10 IKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000100148862 557335459 /nfs/dbraw/zinc/33/54/59/557335459.db2.gz FIRFSWZYHIOVCM-PCLIKHOPSA-N 0 0 445.994 6.526 50 10 IKCARN CCC(NCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158072 557337562 /nfs/dbraw/zinc/33/75/62/557337562.db2.gz CEGGOUGATWDISX-VKAVYKQESA-N 0 0 430.455 5.015 50 10 IKCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)ccc1O ZINC000100163327 557338959 /nfs/dbraw/zinc/33/89/59/557338959.db2.gz PEPXYLIAIZYTIR-UNOMPAQXSA-N 0 0 426.929 5.544 50 10 IKCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)ccc1O ZINC000100163325 557339000 /nfs/dbraw/zinc/33/90/00/557339000.db2.gz PEPXYLIAIZYTIR-XDHOZWIPSA-N 0 0 426.929 5.544 50 10 IKCARN COc1ccc(-n2c(CCC(=O)N3CCC[C@@H](C)C3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023335415 557350291 /nfs/dbraw/zinc/35/02/91/557350291.db2.gz AJCNZDDHWAQWRK-LJQANCHMSA-N 0 0 436.983 5.997 50 10 IKCARN COc1ccc(-n2c(CCC(=O)NCc3ccc(C)o3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023454509 557362179 /nfs/dbraw/zinc/36/21/79/557362179.db2.gz NBVNODMBVVVKIJ-UHFFFAOYSA-N 0 0 448.950 5.957 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000033795477 557367675 /nfs/dbraw/zinc/36/76/75/557367675.db2.gz YXYWCBIYPFGFQG-MJBUPYINSA-N 0 0 433.581 5.520 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000102710353 557368213 /nfs/dbraw/zinc/36/82/13/557368213.db2.gz WVDIMIVWIGYONS-IMWIBFENSA-N 0 0 441.402 6.836 50 10 IKCARN CC1CCN(C(=O)c2ccc(/N=N/[C@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)CC1 ZINC000102681302 557368531 /nfs/dbraw/zinc/36/85/31/557368531.db2.gz REOLJOINEXVZNC-YMRWSMOXSA-N 0 0 430.430 5.355 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000102789087 557388366 /nfs/dbraw/zinc/38/83/66/557388366.db2.gz GBKOOPKVYYCLMP-LDADJPATSA-N 0 0 446.728 5.370 50 10 IKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000033532436 557408387 /nfs/dbraw/zinc/40/83/87/557408387.db2.gz KZBYUVRNTRPQEU-QOMWVZHYSA-N 0 0 429.519 6.834 50 10 IKCARN CC[C@@H]1CCCCN1C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000102922044 557409602 /nfs/dbraw/zinc/40/96/02/557409602.db2.gz CJKDINQBCBIBJT-YCKKCLHHSA-N 0 0 444.457 5.887 50 10 IKCARN CC[C@H]1CCCCN1C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000102922048 557409799 /nfs/dbraw/zinc/40/97/99/557409799.db2.gz CJKDINQBCBIBJT-RZFHAANXSA-N 0 0 444.457 5.887 50 10 IKCARN CCCCN(CC)C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000103068760 557418007 /nfs/dbraw/zinc/41/80/07/557418007.db2.gz XBGYTJWYNYVZIK-YMRWSMOXSA-N 0 0 432.446 5.745 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1 ZINC000006417489 557450388 /nfs/dbraw/zinc/45/03/88/557450388.db2.gz NLELBJMXLVRQLV-VGSWGCGISA-N 0 0 425.642 6.564 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000016183234 557470533 /nfs/dbraw/zinc/47/05/33/557470533.db2.gz JVGCBGLXGNDMCT-VBKFSLOCSA-N 0 0 427.338 5.203 50 10 IKCARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(/N=N/[C@@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)C1 ZINC000107830962 557536813 /nfs/dbraw/zinc/53/68/13/557536813.db2.gz DNDVUVUSSISDDK-QMKNBMDNSA-N 0 0 444.457 5.601 50 10 IKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)o2)cc1 ZINC000000841377 557682425 /nfs/dbraw/zinc/68/24/25/557682425.db2.gz UVNPTJZROZFPOB-KGENOOAVSA-N 0 0 434.879 5.583 50 10 IKCARN CC[C@H](Cc1ccc(N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000225613407 557752196 /nfs/dbraw/zinc/75/21/96/557752196.db2.gz IXMBRVYIPSDCOS-GOSISDBHSA-N 0 0 432.545 5.210 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000227203853 557813260 /nfs/dbraw/zinc/81/32/60/557813260.db2.gz DDCRWQPCZQRMBM-UMEGOILYSA-N 0 0 443.474 5.658 50 10 IKCARN CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856814 557831467 /nfs/dbraw/zinc/83/14/67/557831467.db2.gz MGXGZBQGUWYKSQ-AHWVRZQESA-N 0 0 436.640 5.870 50 10 biogenic IKCARN CCOc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@H](C)C3)cc1 ZINC000002909558 562930459 /nfs/dbraw/zinc/93/04/59/562930459.db2.gz TWYFWPZASGEDOV-HNNXBMFYSA-N 0 0 426.607 6.198 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCCC2 ZINC000002909676 562930489 /nfs/dbraw/zinc/93/04/89/562930489.db2.gz NVGACYLHRKECKK-UHFFFAOYSA-N 0 0 440.634 6.650 50 10 IKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccc(Br)c3)cc1)CC[C@H](C)C2 ZINC000008590291 562951539 /nfs/dbraw/zinc/95/15/39/562951539.db2.gz OYFZXJNLFWJKCQ-INIZCTEOSA-N 0 0 437.381 5.603 50 10 IKCARN [O-]c1c([C@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000019879783 563023245 /nfs/dbraw/zinc/02/32/45/563023245.db2.gz OOEAPXRETVROJS-AREMUKBSSA-N 0 0 443.978 6.033 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053151160 563141008 /nfs/dbraw/zinc/14/10/08/563141008.db2.gz XKLPSSJPCWPKBB-UNMCSNQZSA-N 0 0 431.750 6.575 50 10 IKCARN CC(C)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N(Cc2ccco2)C1=O ZINC000210993593 568643869 /nfs/dbraw/zinc/64/38/69/568643869.db2.gz YCXGHFCVHZSBBB-BUVRLJJBSA-N 0 0 438.483 5.369 50 10 IKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1OC ZINC000001091469 568658661 /nfs/dbraw/zinc/65/86/61/568658661.db2.gz NOADFBKZJAQHQN-KGENOOAVSA-N 0 0 427.591 5.271 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001164350 568664514 /nfs/dbraw/zinc/66/45/14/568664514.db2.gz VFQGMSDMQUARJT-HIXWQLQUSA-N 0 0 425.604 5.601 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000001163690 568664520 /nfs/dbraw/zinc/66/45/20/568664520.db2.gz PPVRSATWRAJPRU-UNOMPAQXSA-N 0 0 433.982 5.539 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000001168386 568674465 /nfs/dbraw/zinc/67/44/65/568674465.db2.gz VOCHNBPBPGXRHT-QNGOZBTKSA-N 0 0 438.618 5.486 50 10 IKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000001808393 568740779 /nfs/dbraw/zinc/74/07/79/568740779.db2.gz DSCXKEWIHWGJJV-HNNXBMFYSA-N 0 0 432.347 6.237 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 ZINC000002058323 568742510 /nfs/dbraw/zinc/74/25/10/568742510.db2.gz MCYDZXQOCGIQQS-ODLFYWEKSA-N 0 0 446.380 6.968 50 10 IKCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000044086290 568747299 /nfs/dbraw/zinc/74/72/99/568747299.db2.gz YOJYTEVJHHOTHT-UHFFFAOYSA-N 0 0 429.545 5.338 50 10 IKCARN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085645 568747370 /nfs/dbraw/zinc/74/73/70/568747370.db2.gz ZEKHHIBKMCQRPO-UHFFFAOYSA-N 0 0 442.382 5.014 50 10 IKCARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000044085478 568747402 /nfs/dbraw/zinc/74/74/02/568747402.db2.gz FGNCKTXVASAHJD-UHFFFAOYSA-N 0 0 431.355 5.016 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000044086195 568747533 /nfs/dbraw/zinc/74/75/33/568747533.db2.gz HIUXBWYJODKJRV-UHFFFAOYSA-N 0 0 437.952 5.884 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccccc2)cc1 ZINC000044086324 568747997 /nfs/dbraw/zinc/74/79/97/568747997.db2.gz OFGCWSNBNKGJOZ-UHFFFAOYSA-N 0 0 447.991 6.291 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000003626436 568751944 /nfs/dbraw/zinc/75/19/44/568751944.db2.gz LMSCRERQRPTMAK-PDGQHHTCSA-N 0 0 446.330 5.659 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000015275999 568754291 /nfs/dbraw/zinc/75/42/91/568754291.db2.gz SQHOVDQQHSBALK-UHFFFAOYSA-N 0 0 436.817 5.201 50 10 IKCARN CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000003768728 568754437 /nfs/dbraw/zinc/75/44/37/568754437.db2.gz SOELIEWRXGWGTF-LFVJCYFKSA-N 0 0 447.625 7.041 50 10 IKCARN CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1Cl ZINC000003771149 568754628 /nfs/dbraw/zinc/75/46/28/568754628.db2.gz DCSVMWNEJRDCRA-UHFFFAOYSA-N 0 0 442.895 5.071 50 10 IKCARN Cc1ccc2c(c1)C(=C1SN(C(=O)C(C)C)N(C(=O)C(C)C)S1)C(=S)C(C)(C)N2 ZINC000004062559 568760238 /nfs/dbraw/zinc/76/02/38/568760238.db2.gz DGSAHSSFYSCFMK-UHFFFAOYSA-N 0 0 449.667 6.685 50 10 IKCARN CCOC(=O)c1sc2nc3c(c(-c4ccc(Br)cc4)c2c1N)CCCC3 ZINC000001253181 568775041 /nfs/dbraw/zinc/77/50/41/568775041.db2.gz SHEHZPDJWJNVFD-UHFFFAOYSA-N 0 0 431.355 5.364 50 10 IKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000016729795 568792364 /nfs/dbraw/zinc/79/23/64/568792364.db2.gz BOXMSABAFSEPJC-UNOMPAQXSA-N 0 0 439.993 5.802 50 10 IKCARN CCCCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)OCC)sc3n2)cc1 ZINC000016805346 568793210 /nfs/dbraw/zinc/79/32/10/568793210.db2.gz UFANLBVCQZZGAU-UHFFFAOYSA-N 0 0 438.471 5.920 50 10 IKCARN COc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)c1 ZINC000001448132 568817445 /nfs/dbraw/zinc/81/74/45/568817445.db2.gz XGLSTSYDWGLSMR-UHFFFAOYSA-N 0 0 449.425 5.304 50 10 biogenic IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 ZINC000001462059 568819867 /nfs/dbraw/zinc/81/98/67/568819867.db2.gz QNEWSFZUVBCWBJ-ZHZULCJRSA-N 0 0 435.574 5.159 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000100148399 568841831 /nfs/dbraw/zinc/84/18/31/568841831.db2.gz ZICHOZJYRZRODI-JLPGSUDCSA-N 0 0 438.918 5.999 50 10 IKCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Oc4ccccc4)cc3)=NN2c2ccccc2)cc1 ZINC000006135912 568845022 /nfs/dbraw/zinc/84/50/22/568845022.db2.gz SZOGPWJHHZVRAM-LJAQVGFWSA-N 0 0 433.555 6.901 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000006136414 568845191 /nfs/dbraw/zinc/84/51/91/568845191.db2.gz QMYQJNUFVMBZKV-KGENOOAVSA-N 0 0 434.542 5.075 50 10 IKCARN COc1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(Cl)cc5)c4c3)CC2)cc1 ZINC000015865009 568849920 /nfs/dbraw/zinc/84/99/20/568849920.db2.gz QUXUJMWZAKSWCG-UHFFFAOYSA-N 0 0 447.922 5.119 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)SC1=S ZINC000015912504 568858653 /nfs/dbraw/zinc/85/86/53/568858653.db2.gz TYEUESJMYCGGEU-LZYBPNLTSA-N 0 0 444.931 5.987 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363172 568866326 /nfs/dbraw/zinc/86/63/26/568866326.db2.gz CZIFWBIIIVBSSN-ZEQKJWHPSA-N 0 0 434.967 6.229 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362943 568866337 /nfs/dbraw/zinc/86/63/37/568866337.db2.gz IPRWOGKLDASVPD-JTHBVZDNSA-N 0 0 427.331 5.930 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1 ZINC000053363034 568866353 /nfs/dbraw/zinc/86/63/53/568866353.db2.gz LUORFBZPFSYLMJ-RBBKRZOGSA-N 0 0 425.301 5.516 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363265 568866581 /nfs/dbraw/zinc/86/65/81/568866581.db2.gz KDBKOIIDRVUBRI-WMZHIEFXSA-N 0 0 441.314 5.650 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363471 568866585 /nfs/dbraw/zinc/86/65/85/568866585.db2.gz UBRBQWJWTXYKPE-IRLDBZIGSA-N 0 0 441.756 6.031 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363266 568866587 /nfs/dbraw/zinc/86/65/87/568866587.db2.gz KDBKOIIDRVUBRI-CVDCTZTESA-N 0 0 441.314 5.650 50 10 IKCARN COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363335 568866592 /nfs/dbraw/zinc/86/65/92/568866592.db2.gz NFHPFWJZHOBQBV-JTHBVZDNSA-N 0 0 427.331 5.930 50 10 IKCARN COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000053363282 568866649 /nfs/dbraw/zinc/86/66/49/568866649.db2.gz BCQGOQYNAFJDPU-YADARESESA-N 0 0 436.895 5.005 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053363356 568866656 /nfs/dbraw/zinc/86/66/56/568866656.db2.gz GOKPNPFDVOSOHR-ATIYNZHBSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363177 568866673 /nfs/dbraw/zinc/86/66/73/568866673.db2.gz CZIFWBIIIVBSSN-OZXSUGGESA-N 0 0 434.967 6.229 50 10 IKCARN COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000053363281 568866693 /nfs/dbraw/zinc/86/66/93/568866693.db2.gz BCQGOQYNAFJDPU-DVECYGJZSA-N 0 0 436.895 5.005 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000053363574 568866815 /nfs/dbraw/zinc/86/68/15/568866815.db2.gz AVSFUACDDLSCDE-IFMALSPDSA-N 0 0 441.756 6.031 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363608 568866823 /nfs/dbraw/zinc/86/68/23/568866823.db2.gz CIDRZNDAZISVBJ-REWPJTCUSA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364246 568866831 /nfs/dbraw/zinc/86/68/31/568866831.db2.gz UWPOMJDWCWXIJZ-IGKIAQTJSA-N 0 0 430.548 5.584 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2cccc(Cl)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053364680 568866856 /nfs/dbraw/zinc/86/68/56/568866856.db2.gz QSHJXGBTSBRZKH-IFMALSPDSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3C)N2)c1O ZINC000053364059 568866887 /nfs/dbraw/zinc/86/68/87/568866887.db2.gz MGAMIBGLZMRTJA-LEAFIULHSA-N 0 0 428.576 6.193 50 10 IKCARN Cc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365000 568866975 /nfs/dbraw/zinc/86/69/75/568866975.db2.gz ZMWXTZUJNUJDKV-GGAORHGYSA-N 0 0 439.328 5.825 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000006241614 568880686 /nfs/dbraw/zinc/88/06/86/568880686.db2.gz IYFBLMBSWRSJAH-DIXQBGJTSA-N 0 0 432.608 5.441 50 10 biogenic IKCARN CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1 ZINC000006417491 568894291 /nfs/dbraw/zinc/89/42/91/568894291.db2.gz NLELBJMXLVRQLV-VGOFRKELSA-N 0 0 425.642 6.564 50 10 IKCARN CCOC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=C1/SC(=S)N(CC)C1=O ZINC000057267005 568896844 /nfs/dbraw/zinc/89/68/44/568896844.db2.gz BQFIVDFIBTUPJP-ULPIPZJYSA-N 0 0 446.663 5.467 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2CCCCCC2)c1[O-] ZINC000001768869 568905725 /nfs/dbraw/zinc/90/57/25/568905725.db2.gz GCOVSFFYWXUGEY-UHFFFAOYSA-N 0 0 434.561 5.714 50 10 IKCARN CCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000001795119 568908103 /nfs/dbraw/zinc/90/81/03/568908103.db2.gz MPSWBLQRXGEBGO-MOSHPQCFSA-N 0 0 448.009 5.929 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000059267131 568909437 /nfs/dbraw/zinc/90/94/37/568909437.db2.gz UJBJTLCKAAEMCS-SIFCLUCFSA-N 0 0 434.761 6.255 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000001839859 568916426 /nfs/dbraw/zinc/91/64/26/568916426.db2.gz NTJHNKVNGYLPAZ-DURWOYGOSA-N 0 0 442.993 5.516 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000001857486 568916776 /nfs/dbraw/zinc/91/67/76/568916776.db2.gz CRBAGAYXTWLVSR-RSOWOLOUSA-N 0 0 441.402 6.835 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2cccc(OC)c2)SC1=S ZINC000006470473 568919685 /nfs/dbraw/zinc/91/96/85/568919685.db2.gz QDUJQBJJBLGUPX-XDHOZWIPSA-N 0 0 449.981 5.028 50 10 IKCARN COc1ccc2c(c1)CCCN2Cc1c(O)c(C(=O)Oc2ccccc2)cc2ccccc21 ZINC000089466935 568925930 /nfs/dbraw/zinc/92/59/30/568925930.db2.gz XVRQILKIJAGQQS-UHFFFAOYSA-N 0 0 439.511 5.726 50 10 IKCARN COc1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000016694909 568938947 /nfs/dbraw/zinc/93/89/47/568938947.db2.gz KMUIGXDTTBQJCP-WOJGMQOQSA-N 0 0 430.507 5.007 50 10 IKCARN C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCCCC3)cc2)C1 ZINC000006782066 568985264 /nfs/dbraw/zinc/98/52/64/568985264.db2.gz ORYIRTDSAKTZLL-NRFANRHFSA-N 0 0 426.604 6.722 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccccc1F)c1ccccc1 ZINC000065080326 569101376 /nfs/dbraw/zinc/10/13/76/569101376.db2.gz GZLLZWBGKYEMSK-UHFFFAOYSA-N 0 0 443.478 5.077 50 10 IKCARN O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000006974561 569114883 /nfs/dbraw/zinc/11/48/83/569114883.db2.gz QHNRZILIHSUWLA-YRNVUSSQSA-N 0 0 434.258 5.467 50 10 IKCARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000013603068 569156302 /nfs/dbraw/zinc/15/63/02/569156302.db2.gz VDUKWUUTFOGHJR-UCQKPKSFSA-N 0 0 436.433 6.091 50 10 IKCARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000013603071 569156311 /nfs/dbraw/zinc/15/63/11/569156311.db2.gz KGNSGJYDOPLOHH-HMAPJEAMSA-N 0 0 436.433 6.091 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000013632865 569156449 /nfs/dbraw/zinc/15/64/49/569156449.db2.gz GUYVWXXPOJQSLA-OQKWZONESA-N 0 0 439.627 6.259 50 10 IKCARN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000014186270 569158039 /nfs/dbraw/zinc/15/80/39/569158039.db2.gz USDLBYONAFLMIO-UFPGJGBJSA-N 0 0 446.934 6.962 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1 ZINC000016755251 569161236 /nfs/dbraw/zinc/16/12/36/569161236.db2.gz XMXNXZPMWNMQTP-YVLHZVERSA-N 0 0 435.448 5.960 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[C@]21C ZINC000016948564 569167238 /nfs/dbraw/zinc/16/72/38/569167238.db2.gz ZBMNCDSLPYJJTF-ZONZVBGPSA-N 0 0 436.596 6.224 50 10 IKCARN Cc1ccc(Sc2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1 ZINC000017112958 569174159 /nfs/dbraw/zinc/17/41/59/569174159.db2.gz OFQGNNJCTLCIDP-GNMKNICSSA-N 0 0 443.553 6.043 50 10 IKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017144361 569174642 /nfs/dbraw/zinc/17/46/42/569174642.db2.gz HUPAWNYXSZHLJT-UHFFFAOYSA-N 0 0 426.756 5.778 50 10 IKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1F ZINC000002533065 569180907 /nfs/dbraw/zinc/18/09/07/569180907.db2.gz AHNPXZQSFPQUGI-NDENLUEZSA-N 0 0 437.565 5.596 50 10 IKCARN Cc1ccc(CN2c3ccccc3/C(=C3/SC(=S)N(C4CCCC4)C3=O)C2=O)cc1 ZINC000002695132 569180918 /nfs/dbraw/zinc/18/09/18/569180918.db2.gz FBHKVNWMFMVJOE-MRCUWXFGSA-N 0 0 434.586 5.056 50 10 IKCARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(c1ccc2c(c1)OCO2)C3 ZINC000002113233 569182071 /nfs/dbraw/zinc/18/20/71/569182071.db2.gz WKXQGKVVLVDZLH-UHFFFAOYSA-N 0 0 441.483 5.086 50 10 biogenic IKCARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OCc3ccccc3)cc2)CO1 ZINC000002118700 569182658 /nfs/dbraw/zinc/18/26/58/569182658.db2.gz ZZSCOFPDJWUHPU-UHFFFAOYSA-N 0 0 441.527 6.071 50 10 biogenic IKCARN O=c1oc2c(ccc3c2CN(c2ccc(OCc4ccccc4)cc2)CO3)c2c1CCC2 ZINC000002158642 569187700 /nfs/dbraw/zinc/18/77/00/569187700.db2.gz ONWRUAXSCVBEDP-UHFFFAOYSA-N 0 0 425.484 5.217 50 10 biogenic IKCARN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821000 569187881 /nfs/dbraw/zinc/18/78/81/569187881.db2.gz UPQKROPZXASXBH-VCHYOVAHSA-N 0 0 431.300 6.041 50 10 IKCARN Cn1cc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000002196545 569191422 /nfs/dbraw/zinc/19/14/22/569191422.db2.gz NNAPAQGEWSZMSC-UHFFFAOYSA-N 0 0 433.552 5.018 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000002202436 569192668 /nfs/dbraw/zinc/19/26/68/569192668.db2.gz OTSSQERMYHTYLH-UOEQGAKJSA-N 0 0 446.937 5.522 50 10 IKCARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000002234342 569211437 /nfs/dbraw/zinc/21/14/37/569211437.db2.gz OVMTYXTUUIVOPG-OOWIMERYSA-N 0 0 437.524 5.569 50 10 IKCARN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000001247469 569212328 /nfs/dbraw/zinc/21/23/28/569212328.db2.gz YTPCFMAETLNTCO-LICLKQGHSA-N 0 0 439.480 5.519 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000003044338 569213090 /nfs/dbraw/zinc/21/30/90/569213090.db2.gz ZPWFQPBBOFPUGI-LZYBPNLTSA-N 0 0 425.362 5.273 50 10 IKCARN CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000002261079 569215647 /nfs/dbraw/zinc/21/56/47/569215647.db2.gz JMUDYKZKRHXRJA-QJOMJCCJSA-N 0 0 442.515 5.327 50 10 IKCARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000002262392 569215940 /nfs/dbraw/zinc/21/59/40/569215940.db2.gz SJSXHMILCJLODX-PDGQHHTCSA-N 0 0 444.002 6.486 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)cc1[N+](=O)[O-] ZINC000027501369 569216617 /nfs/dbraw/zinc/21/66/17/569216617.db2.gz OKZAWQKRZMKGBV-PDGQHHTCSA-N 0 0 437.839 5.323 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1 ZINC000027519451 569217997 /nfs/dbraw/zinc/21/79/97/569217997.db2.gz CIWGLHBXLXTNSR-XDJHFCHBSA-N 0 0 432.317 5.929 50 10 IKCARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000027521615 569218216 /nfs/dbraw/zinc/21/82/16/569218216.db2.gz OPJFTMYVBHJKTN-HMAPJEAMSA-N 0 0 446.934 5.809 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)N=C2c2ccc(Cl)cc2)cc1 ZINC000027521603 569218237 /nfs/dbraw/zinc/21/82/37/569218237.db2.gz RAFVBOSXSKBQSU-STZFKDTASA-N 0 0 448.906 5.200 50 10 IKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 ZINC000027520717 569218316 /nfs/dbraw/zinc/21/83/16/569218316.db2.gz ATXKHFUYBJMLAL-BSTKLLGTSA-N 0 0 438.796 6.997 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027521163 569218336 /nfs/dbraw/zinc/21/83/36/569218336.db2.gz AMLDSZMPXSFAAN-BWAHOGKJSA-N 0 0 428.507 6.011 50 10 IKCARN COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2ccc(Cl)cc2)C1=O ZINC000027521752 569218717 /nfs/dbraw/zinc/21/87/17/569218717.db2.gz MTVNLKZJXNTEEW-ZHZULCJRSA-N 0 0 448.906 5.200 50 10 IKCARN Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000027522190 569253601 /nfs/dbraw/zinc/25/36/01/569253601.db2.gz IVQSCLIGUMTCQB-FYJGNVAPSA-N 0 0 431.879 5.700 50 10 IKCARN CCCCCC(=O)OCC1(COC(=O)CCCCC)Nc2cccc3cccc(c32)N1 ZINC000197136981 569261043 /nfs/dbraw/zinc/26/10/43/569261043.db2.gz QSFJUUMRGANWPK-UHFFFAOYSA-N 0 0 426.557 5.621 50 10 IKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000002283006 569263613 /nfs/dbraw/zinc/26/36/13/569263613.db2.gz ZRAWZKCQOCJZCW-ZHZULCJRSA-N 0 0 437.565 5.680 50 10 IKCARN Nc1ccccc1-n1c(-c2ccccc2)c2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O ZINC000002294804 569268137 /nfs/dbraw/zinc/26/81/37/569268137.db2.gz XQHFMCZGFCQBDO-UHFFFAOYSA-N 0 0 440.502 6.169 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000239038925 569268667 /nfs/dbraw/zinc/26/86/67/569268667.db2.gz FDLIDSSHLDAKTN-VSALZBCGSA-N 0 0 431.963 6.411 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000239287372 569268794 /nfs/dbraw/zinc/26/87/94/569268794.db2.gz CRBAGAYXTWLVSR-OQVWYGCZSA-N 0 0 441.402 6.835 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000239287373 569268808 /nfs/dbraw/zinc/26/88/08/569268808.db2.gz CRBAGAYXTWLVSR-WCGJNUNOSA-N 0 0 441.402 6.835 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N3C[C@H]1CC=C[C@@H]21 ZINC000239339137 569268871 /nfs/dbraw/zinc/26/88/71/569268871.db2.gz LTANIYNVENJTCN-PLNGWDEDSA-N 0 0 446.388 6.546 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239433299 569268900 /nfs/dbraw/zinc/26/89/00/569268900.db2.gz XMOGORDPIWNJPL-PDLBJYQGSA-N 0 0 446.388 6.546 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000239339138 569268905 /nfs/dbraw/zinc/26/89/05/569268905.db2.gz LTANIYNVENJTCN-VSALZBCGSA-N 0 0 446.388 6.546 50 10 IKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 ZINC000244866335 569269452 /nfs/dbraw/zinc/26/94/52/569269452.db2.gz VUGPWWVPSRHYQI-BSTKLLGTSA-N 0 0 449.348 6.252 50 10 IKCARN COC(=O)c1nn(-c2ccccc2)c(=O)c(N=Nc2cccc(C(F)(F)F)c2)c1Cl ZINC000252428188 569271325 /nfs/dbraw/zinc/27/13/25/569271325.db2.gz SOGZSFGTHMGKMZ-UHFFFAOYSA-N 0 0 436.777 5.107 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=N)S1 ZINC000027549494 569271861 /nfs/dbraw/zinc/27/18/61/569271861.db2.gz IVHSNXMYPOLLDL-ZQCYNNBZSA-N 0 0 441.560 5.355 50 10 IKCARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2C(c3ccccc3)=CSC2=NC1=O ZINC000027551359 569272017 /nfs/dbraw/zinc/27/20/17/569272017.db2.gz UPVUYCKWSIEIMP-JLFKZYKSSA-N 0 0 445.935 5.138 50 10 IKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 ZINC000002324025 569274353 /nfs/dbraw/zinc/27/43/53/569274353.db2.gz OOGDOACCZNZWLN-BKUYFWCQSA-N 0 0 433.602 5.766 50 10 IKCARN O=c1c(Oc2ccccc2Br)coc2c1ccc([O-])c2C[NH+]1CCCCC1 ZINC000002329055 569274424 /nfs/dbraw/zinc/27/44/24/569274424.db2.gz AOJDAGXTMQZHBE-UHFFFAOYSA-N 0 0 430.298 5.039 50 10 IKCARN COCc1ccc(CN2CC[C@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)o1 ZINC000299777768 569283660 /nfs/dbraw/zinc/28/36/60/569283660.db2.gz OFZLALDLZRQNLV-JOCHJYFZSA-N 0 0 431.504 5.957 50 10 IKCARN COc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3cc(OC)ccc32)cc1 ZINC000299801717 569283706 /nfs/dbraw/zinc/28/37/06/569283706.db2.gz QIBRGUPHGRUQEF-XMMPIXPASA-N 0 0 435.545 5.676 50 10 IKCARN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C ZINC000002381794 569292709 /nfs/dbraw/zinc/29/27/09/569292709.db2.gz PRYFEHPGVROOON-RGEXLXHISA-N 0 0 444.647 5.765 50 10 IKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)coc21 ZINC000002411951 569301024 /nfs/dbraw/zinc/30/10/24/569301024.db2.gz AUOVCKQFQWRSAA-CQSZACIVSA-N 0 0 444.325 5.428 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000011869533 569303124 /nfs/dbraw/zinc/30/31/24/569303124.db2.gz BTPBRWYLFXBRFQ-INIZCTEOSA-N 0 0 445.563 5.298 50 10 IKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002447466 569304507 /nfs/dbraw/zinc/30/45/07/569304507.db2.gz OHHRYMCQKGECNO-APSNUPSMSA-N 0 0 438.883 6.246 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000013940207 569321720 /nfs/dbraw/zinc/32/17/20/569321720.db2.gz RKXSKSNOVJJCRZ-HHGYXRTLSA-N 0 0 449.555 5.433 50 10 IKCARN COc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1 ZINC000019789762 569329280 /nfs/dbraw/zinc/32/92/80/569329280.db2.gz UIIICUBQSNGPEX-UHFFFAOYSA-N 0 0 449.425 5.304 50 10 biogenic IKCARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020071039 569333551 /nfs/dbraw/zinc/33/35/51/569333551.db2.gz WYLSVGATGUUWJC-FNZWTVRRSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1OC ZINC000020071290 569333661 /nfs/dbraw/zinc/33/36/61/569333661.db2.gz UZSFQVXPKOLXMM-QFQXNSOFSA-N 0 0 446.503 5.050 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4cccc5ccccc54)o3)C2=N)S1 ZINC000020238672 569357580 /nfs/dbraw/zinc/35/75/80/569357580.db2.gz QPUGEFJVDHPCFP-PSZZWWBBSA-N 0 0 432.530 5.613 50 10 IKCARN N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000020238994 569357598 /nfs/dbraw/zinc/35/75/98/569357598.db2.gz KPFBIWXOWRIDIX-SLWLXCFBSA-N 0 0 442.610 5.904 50 10 IKCARN N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000020238797 569357603 /nfs/dbraw/zinc/35/76/03/569357603.db2.gz RJVCOTRGDDOOGN-ZNNJIDPUSA-N 0 0 442.591 5.433 50 10 IKCARN Cc1ccc(C)c(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000020322459 569360289 /nfs/dbraw/zinc/36/02/89/569360289.db2.gz NTARDEORYJLMAL-UHFFFAOYSA-N 0 0 445.522 7.012 50 10 IKCARN Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000020324890 569360411 /nfs/dbraw/zinc/36/04/11/569360411.db2.gz LACLXXVGKJREGO-UYRXBGFRSA-N 0 0 437.611 6.595 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=N)S1 ZINC000080348128 569363224 /nfs/dbraw/zinc/36/32/24/569363224.db2.gz LXRUUBVMKDKWSU-HRXHUYTNSA-N 0 0 433.581 5.520 50 10 IKCARN Cc1cccc(Cl)c1NC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000096564327 569401279 /nfs/dbraw/zinc/40/12/79/569401279.db2.gz SGIQDTOHFSYRTI-UHFFFAOYSA-N 0 0 443.975 5.400 50 10 IKCARN CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1OC ZINC000096581008 569401640 /nfs/dbraw/zinc/40/16/40/569401640.db2.gz AVZWBDKFXIGXRA-YVLHZVERSA-N 0 0 447.304 5.192 50 10 IKCARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1OC ZINC000002512801 569407138 /nfs/dbraw/zinc/40/71/38/569407138.db2.gz CZMSCMQQQCPIFB-CQSZACIVSA-N 0 0 440.337 5.689 50 10 IKCARN COc1cc(I)cc(CNc2ccc(C3CCCCC3)cc2)c1O ZINC000002544797 569408899 /nfs/dbraw/zinc/40/88/99/569408899.db2.gz QDLSQFXRNKBZPN-UHFFFAOYSA-N 0 0 437.321 5.665 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(C)cc2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002617108 569410258 /nfs/dbraw/zinc/41/02/58/569410258.db2.gz DUOMLXIUWPKPLL-UHFFFAOYSA-N 0 0 427.447 5.352 50 10 IKCARN Nc1c2cc3c(nc2sc1C(=O)Oc1ccc(F)cc1F)CC[C@H](c1ccccc1)C3 ZINC000215681900 569411940 /nfs/dbraw/zinc/41/19/40/569411940.db2.gz QFQJZLOFNXDCDL-AWEZNQCLSA-N 0 0 436.483 5.648 50 10 IKCARN CC(=O)[C@@H](CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002638985 569413406 /nfs/dbraw/zinc/41/34/06/569413406.db2.gz FXGAZMXSOFDAFH-JOCHJYFZSA-N 0 0 440.902 5.303 50 10 IKCARN Cc1cc(C(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000002655094 569415359 /nfs/dbraw/zinc/41/53/59/569415359.db2.gz DUXUYGZWKHXNOP-UHFFFAOYSA-N 0 0 438.807 7.170 50 10 IKCARN Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002661923 569416141 /nfs/dbraw/zinc/41/61/41/569416141.db2.gz WTCISMDZGKWNTJ-UHFFFAOYSA-N 0 0 428.460 5.812 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2[C@H](C)CCC[C@H]2C)c1[O-] ZINC000002666249 569416488 /nfs/dbraw/zinc/41/64/88/569416488.db2.gz FIQZJFNKDJRREJ-HZPDHXFCSA-N 0 0 448.588 6.101 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[NH+]2CCCCCC2)c1[O-] ZINC000002667146 569416579 /nfs/dbraw/zinc/41/65/79/569416579.db2.gz FFWXSQCCIFMLOU-UHFFFAOYSA-N 0 0 445.563 5.299 50 10 biogenic IKCARN CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000002668107 569416645 /nfs/dbraw/zinc/41/66/45/569416645.db2.gz VYEOYVUINGJKFH-MOSHPQCFSA-N 0 0 448.009 5.929 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1C ZINC000002700554 569417263 /nfs/dbraw/zinc/41/72/63/569417263.db2.gz FKBBJWKFXANQHP-RGEXLXHISA-N 0 0 444.647 5.765 50 10 IKCARN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O ZINC000002815435 569423057 /nfs/dbraw/zinc/42/30/57/569423057.db2.gz VVMMJZXLCOCPEX-BOPFTXTBSA-N 0 0 438.401 5.836 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3ccc(C)cc3)c2)c1C ZINC000002929028 569425997 /nfs/dbraw/zinc/42/59/97/569425997.db2.gz UFJKJTGDBRDFGO-UHFFFAOYSA-N 0 0 438.527 6.190 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NCc3cccs3)c2)c1C ZINC000002929250 569426039 /nfs/dbraw/zinc/42/60/39/569426039.db2.gz OGEPRMHMNKRJEK-UHFFFAOYSA-N 0 0 444.556 5.621 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2c(C)cccc2C)SC1=S ZINC000002977873 569433596 /nfs/dbraw/zinc/43/35/96/569433596.db2.gz PLJCXBYWELODQT-UYRXBGFRSA-N 0 0 448.009 5.636 50 10 IKCARN CN1C(=O)/C(=C/c2cccc(OCCOc3cc(Cl)ccc3Cl)c2)SC1=S ZINC000003004383 569435153 /nfs/dbraw/zinc/43/51/53/569435153.db2.gz ILEYCGXAUHDMBS-YVLHZVERSA-N 0 0 440.373 5.282 50 10 IKCARN COc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2)sc2c1CCC2 ZINC000003065950 569439678 /nfs/dbraw/zinc/43/96/78/569439678.db2.gz QOYADUXHVCEHPX-UHFFFAOYSA-N 0 0 438.549 5.127 50 10 IKCARN CCOc1ccc(NC(=O)c2c(NCc3ccc(N(C)C)cc3)sc3c2CCC3)cc1 ZINC000003065972 569439707 /nfs/dbraw/zinc/43/97/07/569439707.db2.gz WXYCEJMXOMWNKD-UHFFFAOYSA-N 0 0 435.593 5.566 50 10 IKCARN CCOC(=O)c1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)cc1 ZINC000003065985 569439712 /nfs/dbraw/zinc/43/97/12/569439712.db2.gz OHOUFFKQKJBPDG-UHFFFAOYSA-N 0 0 438.524 5.417 50 10 IKCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000003066823 569439744 /nfs/dbraw/zinc/43/97/44/569439744.db2.gz OSAGDZOYNQGRCV-UDWIEESQSA-N 0 0 436.514 5.565 50 10 IKCARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486884 569440237 /nfs/dbraw/zinc/44/02/37/569440237.db2.gz LPDDLBIBEDCDEM-AVRDEDQJSA-N 0 0 426.925 5.748 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccnc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003288431 569444176 /nfs/dbraw/zinc/44/41/76/569444176.db2.gz JIIOXPRRPHJZOR-CQSZACIVSA-N 0 0 448.853 5.172 50 10 IKCARN O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000003310961 569445471 /nfs/dbraw/zinc/44/54/71/569445471.db2.gz CAEGCGITXDGTRK-UHFFFAOYSA-N 0 0 432.829 5.640 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc(C)ccc2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003316158 569445757 /nfs/dbraw/zinc/44/57/57/569445757.db2.gz OQGYGAIRVGFEAE-UHFFFAOYSA-N 0 0 427.447 5.352 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccsc2)N1 ZINC000058083471 569446876 /nfs/dbraw/zinc/44/68/76/569446876.db2.gz BQIOANBRHPLXOB-QUCCMNQESA-N 0 0 447.785 6.092 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003351900 569447422 /nfs/dbraw/zinc/44/74/22/569447422.db2.gz XLILKDZTQZTYCE-UHFFFAOYSA-N 0 0 445.447 5.314 50 10 IKCARN Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1-c1ccc(F)cc1 ZINC000003358559 569447740 /nfs/dbraw/zinc/44/77/40/569447740.db2.gz LISBIRHSCJHQMV-UHFFFAOYSA-N 0 0 441.509 5.726 50 10 IKCARN Cc1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000003418876 569450327 /nfs/dbraw/zinc/45/03/27/569450327.db2.gz DFRFLWMCVFSHIO-UHFFFAOYSA-N 0 0 443.377 8.283 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@H](C)CC)ccc21 ZINC000003585545 569454437 /nfs/dbraw/zinc/45/44/37/569454437.db2.gz PYENQYIXDRDQFS-JOCHJYFZSA-N 0 0 437.697 6.854 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cccc(C)c3C)ccc21 ZINC000003585088 569454443 /nfs/dbraw/zinc/45/44/43/569454443.db2.gz LCGWQCQDCIGCRN-UHFFFAOYSA-N 0 0 439.669 5.702 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccc(C)cc3C)ccc21 ZINC000003585096 569454448 /nfs/dbraw/zinc/45/44/48/569454448.db2.gz NZFVNOAVCNCXES-UHFFFAOYSA-N 0 0 439.669 5.702 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(OC)c3)[C@H](C)CC)ccc21 ZINC000003585536 569454459 /nfs/dbraw/zinc/45/44/59/569454459.db2.gz LHUUFXUGXVEHTA-HXUWFJFHSA-N 0 0 439.669 6.245 50 10 IKCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000003648616 569455594 /nfs/dbraw/zinc/45/55/94/569455594.db2.gz YAACOAQJUSYKBU-DEDYPNTBSA-N 0 0 449.337 6.520 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(F)cc1)cc3N1CCCCCC1 ZINC000003665767 569456005 /nfs/dbraw/zinc/45/60/05/569456005.db2.gz CLIDSQLDHHLNKV-UHFFFAOYSA-N 0 0 427.479 6.302 50 10 IKCARN COc1cccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003665764 569456025 /nfs/dbraw/zinc/45/60/25/569456025.db2.gz VXIAJYCCMRHHGT-UHFFFAOYSA-N 0 0 439.515 6.172 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2c2ccc(F)cc2)cc1 ZINC000003672691 569456128 /nfs/dbraw/zinc/45/61/28/569456128.db2.gz MYVFCRVJVMCUIU-MOHJPFBDSA-N 0 0 445.563 5.851 50 10 IKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccccc4O)cs3)N=C2C)cc1 ZINC000004046358 569458452 /nfs/dbraw/zinc/45/84/52/569458452.db2.gz HZTSKTJTJXQPRI-ZHZULCJRSA-N 0 0 432.549 5.168 50 10 IKCARN N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000031963955 569458584 /nfs/dbraw/zinc/45/85/84/569458584.db2.gz SEUQEJOCTJXBPB-WMQSWVATSA-N 0 0 435.347 5.022 50 10 IKCARN Cc1ccc(NC(=O)C2=CC(=NNc3ccc(O)cc3Cl)c3ccccc3C2=O)cc1 ZINC000004113467 569459518 /nfs/dbraw/zinc/45/95/18/569459518.db2.gz OVKXLXRYIMDVQQ-BYYHNAKLSA-N 0 0 431.879 6.881 50 10 IKCARN COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000032180855 569460612 /nfs/dbraw/zinc/46/06/12/569460612.db2.gz KLLKBTDTOANIRJ-RQTOMXEWSA-N 0 0 432.545 5.323 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc([C@@H]3Nc4ccc5ccccc5c4[C@H]4C=CC[C@H]43)c2)cc1 ZINC000008396785 569463283 /nfs/dbraw/zinc/46/32/83/569463283.db2.gz QLOPSLVVXLHZEG-HFASVGIHSA-N 0 0 430.551 7.227 50 10 IKCARN COc1ccc(-c2cc(-c3ccccc3)nc3c2CCC/C3=C\c2ccc(N(C)C)cc2)cc1 ZINC000008431169 569464237 /nfs/dbraw/zinc/46/42/37/569464237.db2.gz UKFOJVBTRQEULU-LKUDQCMESA-N 0 0 446.594 7.367 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=N)S1 ZINC000008450580 569464887 /nfs/dbraw/zinc/46/48/87/569464887.db2.gz WANPEWZRJXNQHE-HRXHUYTNSA-N 0 0 427.533 5.109 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1 ZINC000008722078 569471761 /nfs/dbraw/zinc/47/17/61/569471761.db2.gz GHQKPAPZCLNLMS-LTGZKZEYSA-N 0 0 443.590 5.154 50 10 IKCARN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008734932 569472618 /nfs/dbraw/zinc/47/26/18/569472618.db2.gz XBGPSIQAWCQIJE-RUZDIDTESA-N 0 0 436.515 5.251 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cccc(F)c2)C1=O ZINC000008763446 569474427 /nfs/dbraw/zinc/47/44/27/569474427.db2.gz SFIMKRZIBOMPQS-FNBOUAQFSA-N 0 0 440.565 5.392 50 10 IKCARN Cc1ccc(C)n1-c1ccc(-c2ccnc3c(-c4cccc(C(F)(F)F)c4)c(C)nn32)cc1 ZINC000008782190 569475766 /nfs/dbraw/zinc/47/57/66/569475766.db2.gz WGGKSSCNVNMBCM-UHFFFAOYSA-N 0 0 446.476 6.798 50 10 IKCARN Brc1cc(Br)c2nc(-c3ccc(-n4cccc4)cc3)ccc2c1 ZINC000008782249 569475809 /nfs/dbraw/zinc/47/58/09/569475809.db2.gz VXQVLQMARTUPDG-UHFFFAOYSA-N 0 0 428.127 6.218 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccncc1)C[C@H](C)CC2 ZINC000008814314 569476647 /nfs/dbraw/zinc/47/66/47/569476647.db2.gz VTZYLLAZRHAKAF-CQSZACIVSA-N 0 0 441.984 5.794 50 10 IKCARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc(C)c1Cl ZINC000008846152 569478995 /nfs/dbraw/zinc/47/89/95/569478995.db2.gz PTMYXPTUDGJXJR-LJQANCHMSA-N 0 0 440.971 5.612 50 10 IKCARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc(C)c1Cl ZINC000008846151 569478996 /nfs/dbraw/zinc/47/89/96/569478996.db2.gz PTMYXPTUDGJXJR-IBGZPJMESA-N 0 0 440.971 5.612 50 10 IKCARN CCCCSc1c(C(=O)Nc2cccc(F)c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000008869348 569480441 /nfs/dbraw/zinc/48/04/41/569480441.db2.gz RPDMUZQGXDGGDQ-UHFFFAOYSA-N 0 0 433.504 5.746 50 10 IKCARN Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)cc2C)cc1 ZINC000008871864 569480890 /nfs/dbraw/zinc/48/08/90/569480890.db2.gz RHCOUUJOXIOXNC-UHFFFAOYSA-N 0 0 442.587 5.571 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000008872389 569480922 /nfs/dbraw/zinc/48/09/22/569480922.db2.gz ZXKIOICERVSNJP-KGENOOAVSA-N 0 0 436.989 6.514 50 10 IKCARN COc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1CSc1ccc(Cl)cc1 ZINC000008872489 569480966 /nfs/dbraw/zinc/48/09/66/569480966.db2.gz TWOWNYKHZHUMKF-RCCKNPSSSA-N 0 0 434.948 5.927 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000008914924 569485481 /nfs/dbraw/zinc/48/54/81/569485481.db2.gz ROYAWXPOURYKLU-CQSZACIVSA-N 0 0 447.453 5.425 50 10 IKCARN CCCC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccc([N+](=O)[O-])cc1 ZINC000008995482 569495657 /nfs/dbraw/zinc/49/56/57/569495657.db2.gz RBHOKRUVVUUZHA-UHFFFAOYSA-N 0 0 437.455 6.217 50 10 IKCARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)ccc1O ZINC000009065166 569499685 /nfs/dbraw/zinc/49/96/85/569499685.db2.gz DTTXISQANLXPKE-CJWSQJNTSA-N 0 0 440.543 5.998 50 10 IKCARN Cc1cccc(Nc2cc3c(nnn3-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000009090093 569500994 /nfs/dbraw/zinc/50/09/94/569500994.db2.gz NSAYNUVSHZCXLW-UHFFFAOYSA-N 0 0 430.467 5.248 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=N)S1 ZINC000009113694 569502537 /nfs/dbraw/zinc/50/25/37/569502537.db2.gz KBHXPFPNVPAHDA-OEEDQDNFSA-N 0 0 445.523 5.248 50 10 IKCARN Cc1cc(-c2csc(CC(=O)Nc3ccccc3C)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009118161 569503232 /nfs/dbraw/zinc/50/32/32/569503232.db2.gz WCUNZIGBLDXFDY-UHFFFAOYSA-N 0 0 445.544 5.436 50 10 IKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccccc3Br)cc1)CC[C@H](C)C2 ZINC000009151452 569507498 /nfs/dbraw/zinc/50/74/98/569507498.db2.gz WYKTYGQLLJEYAC-INIZCTEOSA-N 0 0 437.381 5.603 50 10 IKCARN CCN(CCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1)c1cccc(C)c1 ZINC000009153314 569508102 /nfs/dbraw/zinc/50/81/02/569508102.db2.gz HGCWDJYYAGHHHT-QFIPXVFZSA-N 0 0 443.635 5.865 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=N)S1 ZINC000009161433 569508722 /nfs/dbraw/zinc/50/87/22/569508722.db2.gz ZBMVKMYTMOZFCD-OMYHDSEFSA-N 0 0 441.560 5.667 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4OCC)c3C)C2=N)S1 ZINC000009161370 569508754 /nfs/dbraw/zinc/50/87/54/569508754.db2.gz QEXDMWIMCGNKHZ-ZWEMGWPWSA-N 0 0 449.580 5.302 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=N)S1 ZINC000009191765 569510698 /nfs/dbraw/zinc/51/06/98/569510698.db2.gz FVLALKIONKCDMQ-RLPJPJOASA-N 0 0 427.533 5.277 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000009193113 569510809 /nfs/dbraw/zinc/51/08/09/569510809.db2.gz CKRUCQIIJMIHFQ-AMWUQPRHSA-N 0 0 425.945 5.167 50 10 IKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(Cl)c(OC)cc3OC)c2C)cc1 ZINC000009228645 569513566 /nfs/dbraw/zinc/51/35/66/569513566.db2.gz SCYJZKIYLXWHHR-UHFFFAOYSA-N 0 0 443.931 5.095 50 10 IKCARN COc1cc(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC ZINC000009228601 569513594 /nfs/dbraw/zinc/51/35/94/569513594.db2.gz SROHIWACHGTDCD-UHFFFAOYSA-N 0 0 443.931 5.095 50 10 IKCARN COc1cc(OC)c(NC(=O)NCc2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000009228548 569513621 /nfs/dbraw/zinc/51/36/21/569513621.db2.gz XOHQACLFDSBCRB-UHFFFAOYSA-N 0 0 427.932 5.395 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccc(F)cc1 ZINC000009228711 569513623 /nfs/dbraw/zinc/51/36/23/569513623.db2.gz KZEZHCCPSSAROA-UHFFFAOYSA-N 0 0 434.284 5.457 50 10 IKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 ZINC000009228662 569513624 /nfs/dbraw/zinc/51/36/24/569513624.db2.gz PXTYZGSOLGMYIZ-UHFFFAOYSA-N 0 0 442.357 5.495 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000009228811 569513667 /nfs/dbraw/zinc/51/36/67/569513667.db2.gz LGFHUNFUUHFAAN-UHFFFAOYSA-N 0 0 446.776 6.140 50 10 IKCARN COc1cc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)cc(OC)c1OC ZINC000009228807 569513676 /nfs/dbraw/zinc/51/36/76/569513676.db2.gz MZJGZVWVCXTUMX-UHFFFAOYSA-N 0 0 443.931 5.095 50 10 IKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2cccc(Br)c2)c1C ZINC000009228881 569513678 /nfs/dbraw/zinc/51/36/78/569513678.db2.gz NRMXXLRGHAEVKM-UHFFFAOYSA-N 0 0 428.330 5.187 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1Cl ZINC000009232255 569513739 /nfs/dbraw/zinc/51/37/39/569513739.db2.gz VQNVIULYTDQUGN-OVCLIPMQSA-N 0 0 430.765 6.061 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1C ZINC000009232739 569513754 /nfs/dbraw/zinc/51/37/54/569513754.db2.gz JMLJBBIYAAHPQU-UDWIEESQSA-N 0 0 436.514 5.877 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=N)S1 ZINC000009282614 569518663 /nfs/dbraw/zinc/51/86/63/569518663.db2.gz QVZQJIMLPSELLJ-RLPJPJOASA-N 0 0 433.581 5.637 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=N)S1 ZINC000009282798 569518759 /nfs/dbraw/zinc/51/87/59/569518759.db2.gz AOYCMJFINWQUBF-GICBFTDPSA-N 0 0 425.945 5.085 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000009291256 569519783 /nfs/dbraw/zinc/51/97/83/569519783.db2.gz CGGWNQQRKWHZMI-FWPSJRISSA-N 0 0 426.929 5.655 50 10 IKCARN COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C ZINC000009293255 569520143 /nfs/dbraw/zinc/52/01/43/569520143.db2.gz PPJAODHIZIXASU-JKGLIZDUSA-N 0 0 449.580 5.076 50 10 IKCARN CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000009293278 569520147 /nfs/dbraw/zinc/52/01/47/569520147.db2.gz BJTBUAJFOKDNGM-ODJOWLHGSA-N 0 0 445.573 5.187 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000009293350 569520229 /nfs/dbraw/zinc/52/02/29/569520229.db2.gz SAERAADMQPRUIC-HJWIFZRKSA-N 0 0 443.935 5.162 50 10 IKCARN CCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1 ZINC000009293564 569520289 /nfs/dbraw/zinc/52/02/89/569520289.db2.gz ZJVCGXHNVFYJNF-DHPBROCDSA-N 0 0 447.608 5.992 50 10 IKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=N)S1 ZINC000009293565 569520291 /nfs/dbraw/zinc/52/02/91/569520291.db2.gz PPDAFRCULJYOMG-HHKDCCKLSA-N 0 0 432.936 5.510 50 10 IKCARN CCOc1c(Cl)cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000009295907 569520425 /nfs/dbraw/zinc/52/04/25/569520425.db2.gz HIOKEFGEZZKVIO-ATVHPVEESA-N 0 0 438.401 5.836 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000009296553 569520487 /nfs/dbraw/zinc/52/04/87/569520487.db2.gz LLDIULJHJJGCOM-HZHRSRAPSA-N 0 0 447.581 5.988 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000009296542 569520489 /nfs/dbraw/zinc/52/04/89/569520489.db2.gz KHUNKFHVMMRFLO-BXDFRRGMSA-N 0 0 447.581 6.241 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000009296710 569520511 /nfs/dbraw/zinc/52/05/11/569520511.db2.gz CFFKNEJODFYJFJ-PXLXIMEGSA-N 0 0 433.554 5.680 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000009309481 569521608 /nfs/dbraw/zinc/52/16/08/569521608.db2.gz KPVOQMXNAJFQPD-XCOJNYNVSA-N 0 0 449.923 5.008 50 10 IKCARN CCn1c2ccccc2nc1/N=N/c1c(Nc2ccc(N(C)C)cc2)ccc2ccccc21 ZINC000009311031 569521783 /nfs/dbraw/zinc/52/17/83/569521783.db2.gz BHGGELNYHXFKCM-NVQSTNCTSA-N 0 0 434.547 7.434 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1 ZINC000009310444 569521803 /nfs/dbraw/zinc/52/18/03/569521803.db2.gz PMCMKJNJGIQHDU-VIZOYTHASA-N 0 0 441.317 5.316 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000009315607 569522168 /nfs/dbraw/zinc/52/21/68/569522168.db2.gz CRBAGAYXTWLVSR-PAXILDSZSA-N 0 0 441.402 6.835 50 10 IKCARN Cc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CC[C@H](C)C4)cc2)cc1 ZINC000009406174 569530003 /nfs/dbraw/zinc/53/00/03/569530003.db2.gz SRVVMLWSQXJRBR-QFIPXVFZSA-N 0 0 434.583 6.508 50 10 IKCARN C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCCc3ccccc3)cc2)C1 ZINC000009406177 569530006 /nfs/dbraw/zinc/53/00/06/569530006.db2.gz PLXHGUXVFWQWAY-QHCPKHFHSA-N 0 0 448.610 6.632 50 10 IKCARN Cc1ccccc1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1 ZINC000009406216 569530010 /nfs/dbraw/zinc/53/00/10/569530010.db2.gz CWEPRCAPEDZUIF-NRFANRHFSA-N 0 0 434.583 6.508 50 10 IKCARN C[C@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1)c1ccccc1 ZINC000009406192 569530030 /nfs/dbraw/zinc/53/00/30/569530030.db2.gz JNBNWPQLVXZQMF-DHIUTWEWSA-N 0 0 448.610 6.803 50 10 IKCARN CCCCc1cc(=O)oc2c1ccc(O)c2CNc1ccc(OCc2ccccc2)cc1 ZINC000009411004 569531473 /nfs/dbraw/zinc/53/14/73/569531473.db2.gz RMILYSDKRSHCQY-UHFFFAOYSA-N 0 0 429.516 6.032 50 10 IKCARN CCn1c(S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccncc1 ZINC000009469207 569538760 /nfs/dbraw/zinc/53/87/60/569538760.db2.gz GAMXGICPYWEFOH-SFHVURJKSA-N 0 0 431.565 5.131 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 ZINC000009470763 569538891 /nfs/dbraw/zinc/53/88/91/569538891.db2.gz HXRGVFDZZHAEAU-UHFFFAOYSA-N 0 0 429.549 5.058 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3cccc(C)n3)c2)c1C ZINC000009504800 569541842 /nfs/dbraw/zinc/54/18/42/569541842.db2.gz GFJINCAEHIXSPM-UHFFFAOYSA-N 0 0 439.515 5.585 50 10 IKCARN COc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)cc1 ZINC000009527098 569544679 /nfs/dbraw/zinc/54/46/79/569544679.db2.gz WYQWWJPQTNMDOD-UHFFFAOYSA-N 0 0 430.939 5.285 50 10 IKCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCc3ccccc32)cc1 ZINC000009529646 569544886 /nfs/dbraw/zinc/54/48/86/569544886.db2.gz XIIDIAMKFKJLFE-HHHXNRCGSA-N 0 0 441.619 5.584 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000009542851 569545901 /nfs/dbraw/zinc/54/59/01/569545901.db2.gz PGMFATWYWNNVNE-GMAHTHKFSA-N 0 0 439.328 5.825 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000009542853 569545933 /nfs/dbraw/zinc/54/59/33/569545933.db2.gz PGMFATWYWNNVNE-GGAORHGYSA-N 0 0 439.328 5.825 50 10 IKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000009572290 569547689 /nfs/dbraw/zinc/54/76/89/569547689.db2.gz WLMPXWKDVDPQKY-UHFFFAOYSA-N 0 0 426.756 5.778 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612309 569552853 /nfs/dbraw/zinc/55/28/53/569552853.db2.gz YUJBOTFQOXDJBO-UHFFFAOYSA-N 0 0 437.543 6.780 50 10 IKCARN CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)o2)cc1 ZINC000009716719 569563184 /nfs/dbraw/zinc/56/31/84/569563184.db2.gz WIEMESLDSBPTHD-XMMPIXPASA-N 0 0 446.547 5.037 50 10 IKCARN Cc1cccc(COc2ccc(C)cc2/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 ZINC000009762814 569566510 /nfs/dbraw/zinc/56/65/10/569566510.db2.gz XOBAXFRGSSWFSA-IWIPYMOSSA-N 0 0 445.609 6.597 50 10 IKCARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2oc1-c1ccccc1 ZINC000009795178 569568440 /nfs/dbraw/zinc/56/84/40/569568440.db2.gz XPCVOHLGHCBMCO-UHFFFAOYSA-N 0 0 426.516 5.107 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009805425 569568738 /nfs/dbraw/zinc/56/87/38/569568738.db2.gz HEDIGHVQWUPJHG-WQRHYEAKSA-N 0 0 432.353 6.659 50 10 IKCARN CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)cc1 ZINC000009805849 569568863 /nfs/dbraw/zinc/56/88/63/569568863.db2.gz KBCZWWGBSPRERS-PDGQHHTCSA-N 0 0 447.423 5.483 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)c(OCC)c1 ZINC000009849732 569571312 /nfs/dbraw/zinc/57/13/12/569571312.db2.gz KDNGMUKHTBAOBT-MOSHPQCFSA-N 0 0 429.563 5.289 50 10 IKCARN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)SC1=S ZINC000009849630 569571319 /nfs/dbraw/zinc/57/13/19/569571319.db2.gz JGMHBCBISKPMDO-PDGQHHTCSA-N 0 0 447.423 5.483 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)c(C)c1 ZINC000009849737 569571345 /nfs/dbraw/zinc/57/13/45/569571345.db2.gz CANOLJBUFVWIDN-WQRHYEAKSA-N 0 0 447.423 5.538 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1C1CCCC1 ZINC000009884782 569572789 /nfs/dbraw/zinc/57/27/89/569572789.db2.gz PUMQUNAGCZLHSB-LICLKQGHSA-N 0 0 434.926 5.652 50 10 IKCARN COc1cc2c(cc1NCC(=O)Nc1cc(Cl)c(OC)cc1OC)oc1ccccc12 ZINC000010185985 569578330 /nfs/dbraw/zinc/57/83/30/569578330.db2.gz KGFYUTFYRVIVBT-UHFFFAOYSA-N 0 0 440.883 5.316 50 10 IKCARN O=C(c1ccccc1)N1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)SC1=S ZINC000109769598 569587073 /nfs/dbraw/zinc/58/70/73/569587073.db2.gz WVKLEOLEKFKCPL-PXLXIMEGSA-N 0 0 425.534 6.035 50 10 IKCARN CCn1cc(Cl)c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)n1 ZINC000000654047 193873725 /nfs/dbraw/zinc/87/37/25/193873725.db2.gz VFCFBVVKGKWBBH-JOCHJYFZSA-N 0 0 444.922 5.407 50 10 IKCARN Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000006183305 193888923 /nfs/dbraw/zinc/88/89/23/193888923.db2.gz BTSGSYXWDABRCF-VXLYETTFSA-N 0 0 425.966 5.548 50 10 IKCARN COc1ccccc1C=C1C(=O)N(c2ccc(C)cc2)C(=S)N(c2ccc(C)cc2)C1=O ZINC000001206775 132239683 /nfs/dbraw/zinc/23/96/83/132239683.db2.gz UNTOMVLOFLTHMK-UHFFFAOYSA-N 0 0 442.540 5.060 50 10 IKCARN Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001509910 132245866 /nfs/dbraw/zinc/24/58/66/132245866.db2.gz MGOGBZCHBGUDHM-UHFFFAOYSA-N 0 0 430.891 5.540 50 10 IKCARN COc1cc(OC)c(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl ZINC000002118668 132248163 /nfs/dbraw/zinc/24/81/63/132248163.db2.gz RWVGCHKWQXJXJJ-UHFFFAOYSA-N 0 0 449.890 5.487 50 10 biogenic IKCARN CCOc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000002123077 132248314 /nfs/dbraw/zinc/24/83/14/132248314.db2.gz WQHZHQFXGUBZBG-UHFFFAOYSA-N 0 0 427.500 5.447 50 10 biogenic IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(Cl)cc1)cc3N1CCOCC1 ZINC000002294476 132251451 /nfs/dbraw/zinc/25/14/51/132251451.db2.gz BXRBSHRMJCOTKY-UHFFFAOYSA-N 0 0 431.879 5.273 50 10 IKCARN Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002305474 132251699 /nfs/dbraw/zinc/25/16/99/132251699.db2.gz PSJMSPLPTSMBCQ-IAGOWNOFSA-N 0 0 439.515 5.705 50 10 IKCARN CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 ZINC000002315302 132252048 /nfs/dbraw/zinc/25/20/48/132252048.db2.gz HERYRAWVBUWXGR-LTGZKZEYSA-N 0 0 440.012 5.430 50 10 IKCARN Cc1ccccc1N1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2C)C1=S ZINC000002361654 132252881 /nfs/dbraw/zinc/25/28/81/132252881.db2.gz FNYSEVXPWXIMNS-XNTDXEJSSA-N 0 0 438.552 5.608 50 10 IKCARN CCc1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 ZINC000002446728 132254496 /nfs/dbraw/zinc/25/44/96/132254496.db2.gz BGHOVKQQUAQDAF-ZHZULCJRSA-N 0 0 445.510 5.060 50 10 IKCARN O=C1C(=Cc2cccs2)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002532802 132254856 /nfs/dbraw/zinc/25/48/56/132254856.db2.gz YDVPUGLYBAAASS-UHFFFAOYSA-N 0 0 443.311 5.638 50 10 IKCARN O=C1C(=Cc2cccs2)C(=O)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000002532794 132254899 /nfs/dbraw/zinc/25/48/99/132254899.db2.gz KBWGDHWLOBTZPY-UHFFFAOYSA-N 0 0 443.311 5.638 50 10 IKCARN Cc1cccc(N2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000002745740 132256914 /nfs/dbraw/zinc/25/69/14/132256914.db2.gz NBGTUDUADJRVBH-QFIPXVFZSA-N 0 0 436.353 5.595 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3C)[C@H](C)CC)ccc21 ZINC000003585598 132266188 /nfs/dbraw/zinc/26/61/88/132266188.db2.gz XHDRUVPHZPQMOU-OAQYLSRUSA-N 0 0 437.697 6.854 50 10 IKCARN C[C@H]1CCCCN1c1cc(Nc2ccc(F)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000003741760 132267670 /nfs/dbraw/zinc/26/76/70/132267670.db2.gz OJECPOPOXUMILO-HNNXBMFYSA-N 0 0 427.479 6.301 50 10 IKCARN COc1ccc(Nc2cc(N3CCCC[C@@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741770 132267674 /nfs/dbraw/zinc/26/76/74/132267674.db2.gz XKDZWEKVMMBSSR-INIZCTEOSA-N 0 0 439.515 6.170 50 10 IKCARN C[C@@H]1CCCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741786 132267884 /nfs/dbraw/zinc/26/78/84/132267884.db2.gz MYHZSERQHYYJJU-OAHLLOKOSA-N 0 0 427.479 6.158 50 10 IKCARN C[C@H]1C[C@H](C)CN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741885 132267898 /nfs/dbraw/zinc/26/78/98/132267898.db2.gz PPFABRIDMLBULI-HOTGVXAUSA-N 0 0 441.506 6.404 50 10 IKCARN CCN1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741962 132267915 /nfs/dbraw/zinc/26/79/15/132267915.db2.gz JXRQWJKHOBVYEI-UHFFFAOYSA-N 0 0 442.494 5.064 50 10 IKCARN C[C@@H]1C[C@H](C)CN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741886 132267949 /nfs/dbraw/zinc/26/79/49/132267949.db2.gz PPFABRIDMLBULI-IYBDPMFKSA-N 0 0 441.506 6.404 50 10 IKCARN C[C@H]1CCCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741785 132267956 /nfs/dbraw/zinc/26/79/56/132267956.db2.gz MYHZSERQHYYJJU-HNNXBMFYSA-N 0 0 427.479 6.158 50 10 IKCARN CCN1CCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003741961 132267961 /nfs/dbraw/zinc/26/79/61/132267961.db2.gz FOTXOWITEVHKEO-UHFFFAOYSA-N 0 0 442.494 5.064 50 10 IKCARN O=C(N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004619377 132272631 /nfs/dbraw/zinc/27/26/31/132272631.db2.gz ZLAJRLTUKYIQBL-UHFFFAOYSA-N 0 0 430.592 5.131 50 10 IKCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)S3)CC2)c1 ZINC000006154195 132276299 /nfs/dbraw/zinc/27/62/99/132276299.db2.gz LPBWDEBVHDXHQU-HAVVHWLPSA-N 0 0 429.545 5.048 50 10 IKCARN CC1CCN(c2cc(N3C[C@H](C)C[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006738002 132278388 /nfs/dbraw/zinc/27/83/88/132278388.db2.gz XMLHCBHUMNHKLO-HDICACEKSA-N 0 0 429.564 5.758 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(c2cc(NC3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000006737921 132278407 /nfs/dbraw/zinc/27/84/07/132278407.db2.gz WNBZVTLASJAQQI-IAGOWNOFSA-N 0 0 429.564 6.266 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 ZINC000008435247 132281944 /nfs/dbraw/zinc/28/19/44/132281944.db2.gz MTOGYYHZWXZMBK-BVMUCEKZSA-N 0 0 442.515 5.666 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCC(=O)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612303 132323476 /nfs/dbraw/zinc/32/34/76/132323476.db2.gz UDSIEMANZONBLS-UHFFFAOYSA-N 0 0 437.499 5.569 50 10 IKCARN CC(C)Nc1cc(N2CCN(c3ccccc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000009612267 132323482 /nfs/dbraw/zinc/32/34/82/132323482.db2.gz QNDOGITVFJPXSB-UHFFFAOYSA-N 0 0 438.531 5.186 50 10 IKCARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000009782147 132328957 /nfs/dbraw/zinc/32/89/57/132328957.db2.gz JKRUTUWITCCRJH-UHFFFAOYSA-N 0 0 447.579 5.062 50 10 IKCARN CCCCOc1ccc(N2CCn3c(nc4cc(NC(=O)c5ccco5)ccc43)C2)cc1 ZINC000013688533 132353570 /nfs/dbraw/zinc/35/35/70/132353570.db2.gz PMJRAEGXIZEOHG-UHFFFAOYSA-N 0 0 430.508 5.081 50 10 IKCARN C[C@@H]1CN(c2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C[C@H](C)O1 ZINC000013800008 132354578 /nfs/dbraw/zinc/35/45/78/132354578.db2.gz KRQSVIUCVJBJCB-IYBDPMFKSA-N 0 0 425.488 5.396 50 10 IKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)O1 ZINC000033680077 518596183 /nfs/dbraw/zinc/59/61/83/518596183.db2.gz KIJVRQKHNBLNQZ-UHFFFAOYSA-N 0 0 448.490 5.804 50 10 IKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000022358355 519762126 /nfs/dbraw/zinc/76/21/26/519762126.db2.gz WOQQFSMYUKNPHA-FYJGNVAPSA-N 0 0 449.601 5.405 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000020731141 519854654 /nfs/dbraw/zinc/85/46/54/519854654.db2.gz XUQYRCQIOOOVTD-BKMJKUGQSA-N 0 0 449.708 6.935 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C2=N)S1 ZINC000032964164 519917232 /nfs/dbraw/zinc/91/72/32/519917232.db2.gz XIOFGPVQNSZINT-GESHDMKESA-N 0 0 425.945 5.248 50 10 IKCARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000012606667 520078744 /nfs/dbraw/zinc/07/87/44/520078744.db2.gz KSISPKZUFVLHPC-UHFFFAOYSA-N 0 0 427.552 5.017 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C ZINC000022241947 520627370 /nfs/dbraw/zinc/62/73/70/520627370.db2.gz YAMHRMYRIXQPFV-XDHOZWIPSA-N 0 0 448.009 5.847 50 10 IKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000012462209 520892724 /nfs/dbraw/zinc/89/27/24/520892724.db2.gz UQTNRKFQYDXLGQ-FYJGNVAPSA-N 0 0 440.421 6.268 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020763315 520931528 /nfs/dbraw/zinc/93/15/28/520931528.db2.gz HVTQCFUPOBJVPA-OZXSUGGESA-N 0 0 434.511 5.551 50 10 IKCARN CCCCSc1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000012410830 520976180 /nfs/dbraw/zinc/97/61/80/520976180.db2.gz YBEMMFHVZSMHKB-UHFFFAOYSA-N 0 0 433.504 5.746 50 10 IKCARN CCCCSc1c(C(=O)Nc2ccc(OC)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000012410832 520976299 /nfs/dbraw/zinc/97/62/99/520976299.db2.gz SNBWWEUPYYJVSG-UHFFFAOYSA-N 0 0 445.540 5.615 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000020763091 521417539 /nfs/dbraw/zinc/41/75/39/521417539.db2.gz IXCYDBSALXCUAM-BKMJKUGQSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763369 521417584 /nfs/dbraw/zinc/41/75/84/521417584.db2.gz MZSYUFPIUPHDCJ-OZXSUGGESA-N 0 0 434.967 6.229 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000020764676 521424285 /nfs/dbraw/zinc/42/42/85/521424285.db2.gz HLBANRFJKYOHAE-BVAGGSTKSA-N 0 0 444.531 5.108 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763057 521424462 /nfs/dbraw/zinc/42/44/62/521424462.db2.gz MPYJMIBBRUAKOP-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020764220 521424811 /nfs/dbraw/zinc/42/48/11/521424811.db2.gz OMDRHPPHVOSNLK-ZJSXRUAMSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000020763616 521425056 /nfs/dbraw/zinc/42/50/56/521425056.db2.gz PGFYIBFRPZDEPK-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000020762968 521425278 /nfs/dbraw/zinc/42/52/78/521425278.db2.gz KAGMOKBFEVDSPA-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000020762958 521425592 /nfs/dbraw/zinc/42/55/92/521425592.db2.gz KAGMOKBFEVDSPA-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C)cc2C)SC1=S ZINC000022229075 521511304 /nfs/dbraw/zinc/51/13/04/521511304.db2.gz VZISCJKFXRVCDO-MOSHPQCFSA-N 0 0 448.009 5.636 50 10 IKCARN CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S ZINC000022257387 521516657 /nfs/dbraw/zinc/51/66/57/521516657.db2.gz DNLARDRKCNVGKR-RCCKNPSSSA-N 0 0 427.591 5.372 50 10 IKCARN CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S ZINC000012763559 521699089 /nfs/dbraw/zinc/69/90/89/521699089.db2.gz KMEAQYYYOWEFTD-LICLKQGHSA-N 0 0 431.608 5.056 50 10 IKCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000016193366 522131448 /nfs/dbraw/zinc/13/14/48/522131448.db2.gz UNHPWIAWXLFVIG-YBEGLDIGSA-N 0 0 437.359 5.060 50 10 IKCARN CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc32)cc1 ZINC000020604032 522247934 /nfs/dbraw/zinc/24/79/34/522247934.db2.gz AMMAPBFYTFQLBY-ZIDAKKETSA-N 0 0 443.635 5.189 50 10 IKCARN CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021891820 522252221 /nfs/dbraw/zinc/25/22/21/522252221.db2.gz DOOOZKHQVWTFCN-SANMLTNESA-N 0 0 440.522 5.820 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000012469716 522928919 /nfs/dbraw/zinc/92/89/19/522928919.db2.gz UJBJTLCKAAEMCS-MDOVXXIYSA-N 0 0 434.761 6.255 50 10 IKCARN COc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1Cl ZINC000020662558 523307281 /nfs/dbraw/zinc/30/72/81/523307281.db2.gz TXJVVRYTYBFORA-XNTDXEJSSA-N 0 0 431.923 5.284 50 10 IKCARN CCn1nc(C)c(CN2CC[C@@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c1C ZINC000012243074 523640396 /nfs/dbraw/zinc/64/03/96/523640396.db2.gz SWZDKYTWSONFQH-QHCPKHFHSA-N 0 0 443.563 6.050 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020764107 524114404 /nfs/dbraw/zinc/11/44/04/524114404.db2.gz YTZAUFLPERIZEU-NZQKXSOJSA-N 0 0 427.331 5.930 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020764111 524174908 /nfs/dbraw/zinc/17/49/08/524174908.db2.gz YTZAUFLPERIZEU-NFBKMPQASA-N 0 0 427.331 5.930 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020762938 524235179 /nfs/dbraw/zinc/23/51/79/524235179.db2.gz IQSSOLMBPHDADS-GGAORHGYSA-N 0 0 439.328 5.825 50 10 IKCARN COc1ccc(NC2=NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000033423323 524674379 /nfs/dbraw/zinc/67/43/79/524674379.db2.gz ZEYNJOOPPKSNFW-BUVRLJJBSA-N 0 0 439.540 5.781 50 10 IKCARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)C1 ZINC000020489501 524879777 /nfs/dbraw/zinc/87/97/77/524879777.db2.gz QZARURGOLJKZON-VXKWHMMOSA-N 0 0 426.604 6.531 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 ZINC000003000352 524915843 /nfs/dbraw/zinc/91/58/43/524915843.db2.gz NKMVBGSXMXOQSE-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000021891721 525149584 /nfs/dbraw/zinc/14/95/84/525149584.db2.gz RCJQQASLBDZFQD-MHZLTWQESA-N 0 0 436.559 5.989 50 10 IKCARN Cc1ccccc1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902549 525164372 /nfs/dbraw/zinc/16/43/72/525164372.db2.gz FOJWHYYENASWRY-UHFFFAOYSA-N 0 0 434.583 6.652 50 10 IKCARN Cc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O ZINC000033390929 525292553 /nfs/dbraw/zinc/29/25/53/525292553.db2.gz JTCQMNQDMSPRCR-UYRXBGFRSA-N 0 0 433.982 5.327 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000041083241 526082771 /nfs/dbraw/zinc/08/27/71/526082771.db2.gz SEPXBSOCALWPHZ-ZDOQCZMASA-N 0 0 439.972 5.331 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000035146451 526083571 /nfs/dbraw/zinc/08/35/71/526083571.db2.gz SYTCIKQGFXBZER-HZWMVPBHSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000041107935 526087563 /nfs/dbraw/zinc/08/75/63/526087563.db2.gz FSPWYLOAZOOUMS-TUKHXMGSSA-N 0 0 439.544 5.070 50 10 IKCARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000022215984 526094187 /nfs/dbraw/zinc/09/41/87/526094187.db2.gz QFFWVWUGHPOAKE-MTJSOVHGSA-N 0 0 438.936 5.650 50 10 IKCARN Cc1cc(C(=O)Cn2c3ccccc3nc2[C@H](C)O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000012535008 526217597 /nfs/dbraw/zinc/21/75/97/526217597.db2.gz RHUUXYNHASZUQW-HNNXBMFYSA-N 0 0 425.891 5.173 50 10 IKCARN Fc1ccccc1-c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)o1 ZINC000012375692 526405228 /nfs/dbraw/zinc/40/52/28/526405228.db2.gz MXKJCWMNOAFNLS-UHFFFAOYSA-N 0 0 438.289 7.451 50 10 IKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)N1CCc2ccccc2C1 ZINC000020902473 526655985 /nfs/dbraw/zinc/65/59/85/526655985.db2.gz SHJPYKFYXTVYSH-UHFFFAOYSA-N 0 0 446.594 6.612 50 10 IKCARN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000020238812 526836938 /nfs/dbraw/zinc/83/69/38/526836938.db2.gz RTTFCWSGMSFWAP-BPHBXOPHSA-N 0 0 433.514 5.469 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000016115988 526837071 /nfs/dbraw/zinc/83/70/71/526837071.db2.gz UYBFCCKACDPGLH-IFSHFEHQSA-N 0 0 442.456 5.159 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000020324768 526941498 /nfs/dbraw/zinc/94/14/98/526941498.db2.gz LKXDWMJFEMRVJN-PDGQHHTCSA-N 0 0 444.002 6.631 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 ZINC000015010841 526943067 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COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000009096563 536705111 /nfs/dbraw/zinc/70/51/11/536705111.db2.gz SOWUPJIMYYSXLL-UHFFFAOYSA-N 0 0 447.318 5.351 50 10 IKCARN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000009233444 555510331 /nfs/dbraw/zinc/51/03/31/555510331.db2.gz HPWDEMHPWRBDIH-VCHYOVAHSA-N 0 0 438.401 6.184 50 10 IKCARN CCOc1ccccc1/C=C1\C(=O)N(c2cc(Cl)cc(Cl)c2)C(C)=C1C(=O)OC ZINC000000638401 555517502 /nfs/dbraw/zinc/51/75/02/555517502.db2.gz TWCQMHDBJWQNAW-NVMNQCDNSA-N 0 0 432.303 5.269 50 10 IKCARN Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)ccc1Cl ZINC000000666536 555528591 /nfs/dbraw/zinc/52/85/91/555528591.db2.gz YKNQDXJKKXHPGN-UHFFFAOYSA-N 0 0 435.911 5.540 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1ccccc1F ZINC000000703405 555544056 /nfs/dbraw/zinc/54/40/56/555544056.db2.gz FGGMJFWWIYJCJB-UHFFFAOYSA-N 0 0 437.565 5.702 50 10 IKCARN COc1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1 ZINC000000798209 555558611 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O=C1/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc2N1Cc1ccccc1 ZINC000001090140 555627185 /nfs/dbraw/zinc/62/71/85/555627185.db2.gz JDNGZTJJQHIPFB-MRCUWXFGSA-N 0 0 428.538 5.009 50 10 IKCARN Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000001101078 555628702 /nfs/dbraw/zinc/62/87/02/555628702.db2.gz CKMQXDGVZXQZKF-HZHRSRAPSA-N 0 0 425.463 5.234 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000001109743 555630797 /nfs/dbraw/zinc/63/07/97/555630797.db2.gz LFIHTORSSMNOGA-UHFFFAOYSA-N 0 0 431.348 5.419 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccccn1)C[C@@H](C)CC2 ZINC000001144029 555652046 /nfs/dbraw/zinc/65/20/46/555652046.db2.gz VWUAWNIVFKPHHE-AWEZNQCLSA-N 0 0 441.984 5.794 50 10 IKCARN COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000001151454 555656619 /nfs/dbraw/zinc/65/66/19/555656619.db2.gz MZUBSVUPZSXMFJ-HYARGMPZSA-N 0 0 434.586 5.504 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccc(F)cc1 ZINC000001151818 555656773 /nfs/dbraw/zinc/65/67/73/555656773.db2.gz WFVXVJQACVUDBI-ODLFYWEKSA-N 0 0 440.477 5.395 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000001159287 555660889 /nfs/dbraw/zinc/66/08/89/555660889.db2.gz GIBLAWBCEZTFCI-MOSHPQCFSA-N 0 0 435.526 5.447 50 10 IKCARN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000001164989 555663576 /nfs/dbraw/zinc/66/35/76/555663576.db2.gz ZOOGWOIBIPUWLC-NDENLUEZSA-N 0 0 441.961 6.010 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 ZINC000001165651 555663861 /nfs/dbraw/zinc/66/38/61/555663861.db2.gz QZQYWZPUIANKTH-BKUYFWCQSA-N 0 0 437.542 5.269 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000001180758 555671703 /nfs/dbraw/zinc/67/17/03/555671703.db2.gz KOXJPAPYSAWDQV-PXLXIMEGSA-N 0 0 446.597 5.768 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000001180912 555671716 /nfs/dbraw/zinc/67/17/16/555671716.db2.gz XFWAHYZWPLXVJP-QGOAFFKASA-N 0 0 430.982 5.269 50 10 IKCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000001411623 555694376 /nfs/dbraw/zinc/69/43/76/555694376.db2.gz QMDCGONLKNERSS-YVLHZVERSA-N 0 0 449.384 6.209 50 10 IKCARN Cc1cccc(N2C(=O)C(=Cc3ccccc3Cl)C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000001511631 555702610 /nfs/dbraw/zinc/70/26/10/555702610.db2.gz KQKHGJOLFUMQEX-UHFFFAOYSA-N 0 0 430.891 5.540 50 10 IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001747679 555712123 /nfs/dbraw/zinc/71/21/23/555712123.db2.gz ZAJDKBKGHHABHW-UHFFFAOYSA-N 0 0 425.834 5.680 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000001755572 555712677 /nfs/dbraw/zinc/71/26/77/555712677.db2.gz GLMMAOTVXAHXJG-XLNRJJMWSA-N 0 0 439.627 6.259 50 10 IKCARN CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000001777714 555714296 /nfs/dbraw/zinc/71/42/96/555714296.db2.gz VGBXMTQXPJANOT-SXGWCWSVSA-N 0 0 438.357 5.576 50 10 IKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001781212 555714725 /nfs/dbraw/zinc/71/47/25/555714725.db2.gz VPFJNIVNVZPVEG-ZSOIEALJSA-N 0 0 434.291 6.418 50 10 IKCARN O=[N+]([O-])c1ccc([C@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)cc1 ZINC000001799288 555716602 /nfs/dbraw/zinc/71/66/02/555716602.db2.gz MEUOJOIESTUYCE-FQEVSTJZSA-N 0 0 439.393 6.069 50 10 IKCARN CCCCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)C1=O ZINC000001808306 555717810 /nfs/dbraw/zinc/71/78/10/555717810.db2.gz UQBNYVWWOHEANC-VXPUYCOJSA-N 0 0 438.574 5.008 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000001908670 555724210 /nfs/dbraw/zinc/72/42/10/555724210.db2.gz NLADSJLRXSKLPG-AUWJEWJLSA-N 0 0 445.190 6.162 50 10 IKCARN O=C1/C(=C/c2c3ccccc3cc3ccccc32)SC(=S)N1c1cccc(Cl)c1 ZINC000002056489 555730923 /nfs/dbraw/zinc/73/09/23/555730923.db2.gz HMHICAGMUJHSEB-HMAPJEAMSA-N 0 0 431.969 7.052 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2sccc2C)sc2c1CCC2 ZINC000002072951 555735187 /nfs/dbraw/zinc/73/51/87/555735187.db2.gz VWBQVNGHGYSWPR-UHFFFAOYSA-N 0 0 432.998 6.133 50 10 IKCARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000002084392 555739457 /nfs/dbraw/zinc/73/94/57/555739457.db2.gz UOTONDINSBJZLF-HSZRJFAPSA-N 0 0 449.624 6.170 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000002120001 555745282 /nfs/dbraw/zinc/74/52/82/555745282.db2.gz ATDRYCILIMFDAR-UDWIEESQSA-N 0 0 429.973 5.601 50 10 IKCARN CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1 ZINC000002137960 555747608 /nfs/dbraw/zinc/74/76/08/555747608.db2.gz YKZKGVHJWBUVCH-UHFFFAOYSA-N 0 0 443.547 5.975 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002165256 555751444 /nfs/dbraw/zinc/75/14/44/555751444.db2.gz ZNYVNHRFSROBOI-NDENLUEZSA-N 0 0 443.355 6.642 50 10 IKCARN CCc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1 ZINC000002184841 555754888 /nfs/dbraw/zinc/75/48/88/555754888.db2.gz RKJSNLQXGWPWRU-UHFFFAOYSA-N 0 0 449.597 6.368 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000002196304 555756879 /nfs/dbraw/zinc/75/68/79/555756879.db2.gz AFDVSWRCFVOOCX-RHTHQAGFSA-N 0 0 433.602 5.847 50 10 IKCARN CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002194449 555756917 /nfs/dbraw/zinc/75/69/17/555756917.db2.gz WRVNPBBTMQTXBC-UHFFFAOYSA-N 0 0 443.503 5.309 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCC(C)C ZINC000002217140 555758989 /nfs/dbraw/zinc/75/89/89/555758989.db2.gz WKTLLFRHPJCDBO-STZFKDTASA-N 0 0 427.591 5.522 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1O ZINC000002247238 555761971 /nfs/dbraw/zinc/76/19/71/555761971.db2.gz RZQUNWPBOQQGJE-STZFKDTASA-N 0 0 435.526 5.599 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1 ZINC000002254515 555762765 /nfs/dbraw/zinc/76/27/65/555762765.db2.gz YEMXYPRVNUXRRC-YVLHZVERSA-N 0 0 446.347 5.704 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S ZINC000002304717 555767191 /nfs/dbraw/zinc/76/71/91/555767191.db2.gz MXTRLXSEGYWFDN-STZFKDTASA-N 0 0 449.601 5.548 50 10 IKCARN CCCCC1(Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002377389 555774009 /nfs/dbraw/zinc/77/40/09/555774009.db2.gz RKQGCKRPIYEQQP-UHFFFAOYSA-N 0 0 432.951 6.054 50 10 IKCARN CCN1C(=O)/C(=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)SC1=S ZINC000002405348 555776500 /nfs/dbraw/zinc/77/65/00/555776500.db2.gz SVVADTMLQTVOPT-CSJPXGCCSA-N 0 0 448.613 5.113 50 10 IKCARN CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000002470503 555783152 /nfs/dbraw/zinc/78/31/52/555783152.db2.gz CBMCUGPDDZTZAO-XMMPIXPASA-N 0 0 429.520 5.561 50 10 IKCARN CC(C)CN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000002672514 555797503 /nfs/dbraw/zinc/79/75/03/555797503.db2.gz IBUWWVIOEPAQRT-HNENSFHCSA-N 0 0 442.993 5.114 50 10 IKCARN O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1 ZINC000002685361 555798802 /nfs/dbraw/zinc/79/88/02/555798802.db2.gz ZLHHOVZCOQHSGX-UHFFFAOYSA-N 0 0 425.506 5.637 50 10 IKCARN CCCC(=O)N[C@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O ZINC000002815449 555828466 /nfs/dbraw/zinc/82/84/66/555828466.db2.gz WHQCGANOTXJOPB-JOCHJYFZSA-N 0 0 425.960 5.446 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(Cl)c1O ZINC000002817126 555828835 /nfs/dbraw/zinc/82/88/35/555828835.db2.gz BXRRMVXULSIAJA-AQTBWJFISA-N 0 0 433.982 5.278 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccccc1Cl ZINC000002878644 555853586 /nfs/dbraw/zinc/85/35/86/555853586.db2.gz PTEPAWVDCMNHIL-CPNJWEJPSA-N 0 0 449.981 5.075 50 10 IKCARN CCc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(CC)C2=O)cc1 ZINC000002882431 555856301 /nfs/dbraw/zinc/85/63/01/555856301.db2.gz BVASYEMJWYILKM-LTGZKZEYSA-N 0 0 427.591 5.318 50 10 IKCARN CCCN(CCC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 ZINC000002906196 555861640 /nfs/dbraw/zinc/86/16/40/555861640.db2.gz QICHVLKERHTPLD-JOCHJYFZSA-N 0 0 435.597 5.780 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c1 ZINC000002916193 555862759 /nfs/dbraw/zinc/86/27/59/555862759.db2.gz CFUDKPKJFDBUQJ-GDNBJRDFSA-N 0 0 437.327 5.005 50 10 IKCARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000002954565 555866697 /nfs/dbraw/zinc/86/66/97/555866697.db2.gz SGKOJFCMFILPCL-UHFFFAOYSA-N 0 0 447.556 6.016 50 10 IKCARN CCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1OC)Nc1ccccc1-2 ZINC000002977464 555870270 /nfs/dbraw/zinc/87/02/70/555870270.db2.gz JQYPHNORTUERJZ-OAQYLSRUSA-N 0 0 437.569 5.009 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002991883 555875136 /nfs/dbraw/zinc/87/51/36/555875136.db2.gz ZMMVJIKNSWENAB-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)c4ccccc4)cc3)SC2=S)cc1 ZINC000002991917 555875208 /nfs/dbraw/zinc/87/52/08/555875208.db2.gz IAWDQUKHYYRHRI-CJLVFECKSA-N 0 0 432.570 5.869 50 10 IKCARN O=C1/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC(=S)N1C1CCCCC1 ZINC000002994906 555875995 /nfs/dbraw/zinc/87/59/95/555875995.db2.gz VZEZRAWHWUFWPR-KGENOOAVSA-N 0 0 444.021 6.170 50 10 IKCARN O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002999428 555877315 /nfs/dbraw/zinc/87/73/15/555877315.db2.gz GQEZVBOTKLEBPM-RIYZIHGNSA-N 0 0 433.398 6.130 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000003001202 555877907 /nfs/dbraw/zinc/87/79/07/555877907.db2.gz LSVMAMMMOIAVBQ-STZFKDTASA-N 0 0 448.525 5.580 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000034909885 555923001 /nfs/dbraw/zinc/92/30/01/555923001.db2.gz VBBKEEUHVRVHBL-KGENOOAVSA-N 0 0 425.575 5.418 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)c1 ZINC000003461952 555935543 /nfs/dbraw/zinc/93/55/43/555935543.db2.gz NQYZDBXSCFXEII-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000003769546 555945940 /nfs/dbraw/zinc/94/59/40/555945940.db2.gz LEFJZDNKFDMCFH-RNEAKCBISA-N 0 0 448.407 6.032 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000003768153 555945980 /nfs/dbraw/zinc/94/59/80/555945980.db2.gz ZDYUKGBNCCWNRL-ZSOIEALJSA-N 0 0 444.297 5.874 50 10 IKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000004289897 555983090 /nfs/dbraw/zinc/98/30/90/555983090.db2.gz ABSLZLFSUQLLFG-INIZCTEOSA-N 0 0 431.454 5.949 50 10 biogenic IKCARN CCN(CC)c1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O ZINC000004981635 556025629 /nfs/dbraw/zinc/02/56/29/556025629.db2.gz LZMDKVSAYYFEPR-UHFFFAOYSA-N 0 0 427.544 6.398 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc4ccccc43)o2)SC(=S)N1Cc1ccccc1 ZINC000006142340 556077490 /nfs/dbraw/zinc/07/74/90/556077490.db2.gz YXUNKSIFACTDGB-HZHRSRAPSA-N 0 0 427.550 6.501 50 10 IKCARN CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OCC ZINC000006388882 556086194 /nfs/dbraw/zinc/08/61/94/556086194.db2.gz RGSVHTDNNWJMKH-DEOSSOPVSA-N 0 0 429.520 5.643 50 10 IKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(F)c1 ZINC000006974524 556112243 /nfs/dbraw/zinc/11/22/43/556112243.db2.gz NRCMVKBBCBIXSA-GZTJUZNOSA-N 0 0 447.965 6.629 50 10 IKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000002672571 556118432 /nfs/dbraw/zinc/11/84/32/556118432.db2.gz XOJNEIPBZJSYHA-AQTBWJFISA-N 0 0 425.604 5.602 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C1CCCC1 ZINC000002695224 556121183 /nfs/dbraw/zinc/12/11/83/556121183.db2.gz WAHVZOWSQQWODM-UYRXBGFRSA-N 0 0 437.615 5.745 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S ZINC000002811939 556145760 /nfs/dbraw/zinc/14/57/60/556145760.db2.gz ARAPOJPBJLZXLU-NAXAOKOWSA-N 0 0 437.586 5.614 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@@H](C)C2 ZINC000002909587 556149783 /nfs/dbraw/zinc/14/97/83/556149783.db2.gz UZSKTCSMYDEEOI-OAHLLOKOSA-N 0 0 426.607 6.198 50 10 IKCARN CCOC(=O)c1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)cc1 ZINC000002909483 556149791 /nfs/dbraw/zinc/14/97/91/556149791.db2.gz PREWSDSHKGMBEG-UHFFFAOYSA-N 0 0 440.590 5.730 50 10 IKCARN Cc1ccc(NCc2cc(-c3nn(CNc4ccc(C)cc4)c(=S)o3)ccc2O)cc1 ZINC000003016723 556158227 /nfs/dbraw/zinc/15/82/27/556158227.db2.gz VIRTXEGBLHOLPR-UHFFFAOYSA-N 0 0 432.549 5.877 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OC(C)C ZINC000008396128 556163342 /nfs/dbraw/zinc/16/33/42/556163342.db2.gz OQLKUKFOILDKOQ-VCHYOVAHSA-N 0 0 429.314 5.051 50 10 IKCARN CC1=NN(c2nc(-c3ccc4ccccc4c3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000008396773 556163883 /nfs/dbraw/zinc/16/38/83/556163883.db2.gz FZSPIAPPCUFNAR-OEAKJJBVSA-N 0 0 438.556 5.835 50 10 IKCARN CCCCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCCCC)c1 ZINC000008398797 556165155 /nfs/dbraw/zinc/16/51/55/556165155.db2.gz YDDGFSIPAIZZGP-QVIHXGFCSA-N 0 0 436.600 7.920 50 10 IKCARN CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O ZINC000008417728 556167731 /nfs/dbraw/zinc/16/77/31/556167731.db2.gz FGUBBLHEWXWDBO-BYYHNAKLSA-N 0 0 426.476 5.431 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccco1 ZINC000008425031 556168264 /nfs/dbraw/zinc/16/82/64/556168264.db2.gz LIVFHSQJGKRWAA-RQZCQDPDSA-N 0 0 436.341 6.248 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000008435034 556173036 /nfs/dbraw/zinc/17/30/36/556173036.db2.gz TWHFOXCYUSMAFM-TXPKVOOTSA-N 0 0 432.261 5.334 50 10 IKCARN Cc1cc(I)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000008435035 556173098 /nfs/dbraw/zinc/17/30/98/556173098.db2.gz TWHFOXCYUSMAFM-BXWFABGCSA-N 0 0 432.261 5.334 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000008438830 556174929 /nfs/dbraw/zinc/17/49/29/556174929.db2.gz SUOUTGUUGMXRFU-BKUYFWCQSA-N 0 0 436.964 6.605 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000008444849 556179230 /nfs/dbraw/zinc/17/92/30/556179230.db2.gz CPVLNVZYWUHGKV-HKOYGPOVSA-N 0 0 440.503 5.276 50 10 IKCARN Cc1ccnc(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 ZINC000008452686 556183059 /nfs/dbraw/zinc/18/30/59/556183059.db2.gz YGDWDKVACVMXAO-MHZLTWQESA-N 0 0 447.538 6.424 50 10 IKCARN CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OCC ZINC000008453119 556183742 /nfs/dbraw/zinc/18/37/42/556183742.db2.gz NUENVLGLYLEKBR-VWLOTQADSA-N 0 0 443.547 5.951 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[C@]21C ZINC000008453510 556184350 /nfs/dbraw/zinc/18/43/50/556184350.db2.gz ZBMNCDSLPYJJTF-GMQQYTKMSA-N 0 0 436.596 6.224 50 10 IKCARN CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000008456352 556186284 /nfs/dbraw/zinc/18/62/84/556186284.db2.gz GYYCUOIMPSTNBY-XDHOZWIPSA-N 0 0 446.378 6.044 50 10 IKCARN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)c1 ZINC000008496256 556186608 /nfs/dbraw/zinc/18/66/08/556186608.db2.gz OBYUIUKQASODNT-MOSHPQCFSA-N 0 0 434.879 5.501 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\C=C\c3ccc(Br)cc3)SC2=S)cc1 ZINC000008721789 556203044 /nfs/dbraw/zinc/20/30/44/556203044.db2.gz WKGZDBQWSZPKGV-GFJWLWTISA-N 0 0 432.364 5.420 50 10 IKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000008723291 556203672 /nfs/dbraw/zinc/20/36/72/556203672.db2.gz YNFDKALQKRFRLI-AQTBWJFISA-N 0 0 448.316 5.635 50 10 IKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)cc1Cl ZINC000008741265 556207021 /nfs/dbraw/zinc/20/70/21/556207021.db2.gz SDXXONTWFMSNTN-UNOMPAQXSA-N 0 0 432.376 5.094 50 10 IKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2sc3ccccc3c2s1 ZINC000008742900 556207769 /nfs/dbraw/zinc/20/77/69/556207769.db2.gz RTWHURUPWWGLJS-UHFFFAOYSA-N 0 0 439.517 6.144 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000009186615 556250601 /nfs/dbraw/zinc/25/06/01/556250601.db2.gz BDGVJRKAMQMRAU-ZXOFLVKFSA-N 0 0 436.514 5.817 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(OC)c3)SC2=S)cc1 ZINC000009232401 556261710 /nfs/dbraw/zinc/26/17/10/556261710.db2.gz XJUKZUYEJROWNW-FYJGNVAPSA-N 0 0 443.590 5.535 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)o2)cc1[N+](=O)[O-] ZINC000009232532 556261734 /nfs/dbraw/zinc/26/17/34/556261734.db2.gz SXJIPTVJUAEJMF-UDWIEESQSA-N 0 0 436.514 5.877 50 10 IKCARN O=C1NC(=S)S/C1=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 ZINC000009235517 556263476 /nfs/dbraw/zinc/26/34/76/556263476.db2.gz SRJBWPHRVUAJIX-ONQWYEKWSA-N 0 0 427.550 5.654 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1 ZINC000009311256 556279617 /nfs/dbraw/zinc/27/96/17/556279617.db2.gz CFBADPRSQHRLKB-HIXSDJFHSA-N 0 0 444.534 6.910 50 10 IKCARN CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 ZINC000009444593 556292113 /nfs/dbraw/zinc/29/21/13/556292113.db2.gz DXRJWKRVWYHUDW-HMMYKYKNSA-N 0 0 440.590 5.014 50 10 IKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000013750002 556298808 /nfs/dbraw/zinc/29/88/08/556298808.db2.gz KKWQQFFUDLBVHB-ZHZULCJRSA-N 0 0 435.574 5.159 50 10 IKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O ZINC000013750440 556298973 /nfs/dbraw/zinc/29/89/73/556298973.db2.gz JHJQZJQUGZYNOD-MHHBVAOCSA-N 0 0 445.573 5.295 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000013765487 556302801 /nfs/dbraw/zinc/30/28/01/556302801.db2.gz VXFMJLQHIBYQSU-WQRHYEAKSA-N 0 0 438.401 6.787 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000013775542 556307146 /nfs/dbraw/zinc/30/71/46/556307146.db2.gz SQMMUSGVZZUEGY-UYRXBGFRSA-N 0 0 428.554 5.008 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 ZINC000013785404 556308802 /nfs/dbraw/zinc/30/88/02/556308802.db2.gz AYCZXTNVLUGTNB-APSNUPSMSA-N 0 0 426.346 5.416 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1F ZINC000013786642 556309059 /nfs/dbraw/zinc/30/90/59/556309059.db2.gz IOQADTUZMLKJES-XGCFFSCVSA-N 0 0 442.519 5.538 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000013801257 556310601 /nfs/dbraw/zinc/31/06/01/556310601.db2.gz QJIVTILTQDXALV-AQTBWJFISA-N 0 0 430.982 5.269 50 10 IKCARN O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000013809999 556311553 /nfs/dbraw/zinc/31/15/53/556311553.db2.gz BTMUODHMQOBROV-UHFFFAOYSA-N 0 0 442.474 6.129 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000013810162 556311835 /nfs/dbraw/zinc/31/18/35/556311835.db2.gz GBKOOPKVYYCLMP-PDGQHHTCSA-N 0 0 446.728 5.370 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000013810145 556311926 /nfs/dbraw/zinc/31/19/26/556311926.db2.gz RIZARXSIHWTTMI-STZFKDTASA-N 0 0 432.570 5.378 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013892712 556326881 /nfs/dbraw/zinc/32/68/81/556326881.db2.gz FFFLILXCLACWJF-CXUHLZMHSA-N 0 0 440.373 5.412 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000013893507 556327861 /nfs/dbraw/zinc/32/78/61/556327861.db2.gz BGVZPIIWHMSQSH-XDHOZWIPSA-N 0 0 448.009 5.847 50 10 IKCARN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000013895542 556328877 /nfs/dbraw/zinc/32/88/77/556328877.db2.gz YZMSGBITRNDRTL-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c1 ZINC000013898170 556330264 /nfs/dbraw/zinc/33/02/64/556330264.db2.gz NFGFZRUEUBURBB-JCMHNJIXSA-N 0 0 434.948 5.927 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000013940228 556337631 /nfs/dbraw/zinc/33/76/31/556337631.db2.gz FWKHSHMKGNKQDK-HQZGWYBTSA-N 0 0 432.549 5.636 50 10 IKCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000014009243 556354174 /nfs/dbraw/zinc/35/41/74/556354174.db2.gz IHTUZFCPPSZNSR-UNOMPAQXSA-N 0 0 426.944 5.076 50 10 IKCARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000014010541 556354834 /nfs/dbraw/zinc/35/48/34/556354834.db2.gz JMSLRTAKOIUHQT-XYGWBWBKSA-N 0 0 440.543 5.588 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000011859522 556368181 /nfs/dbraw/zinc/36/81/81/556368181.db2.gz WVDIMIVWIGYONS-IECBHUPTSA-N 0 0 441.402 6.836 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000011859507 556368216 /nfs/dbraw/zinc/36/82/16/556368216.db2.gz JYWBBHQMIZZTQG-PNCHPQGNSA-N 0 0 427.375 6.446 50 10 IKCARN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000014186363 556386070 /nfs/dbraw/zinc/38/60/70/556386070.db2.gz QUNDQNAEMWRDPF-UFPGJGBJSA-N 0 0 446.934 6.962 50 10 IKCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014187828 556386577 /nfs/dbraw/zinc/38/65/77/556386577.db2.gz RVPSJQWTMAIKJI-QHCPKHFHSA-N 0 0 432.863 5.626 50 10 IKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014187830 556386647 /nfs/dbraw/zinc/38/66/47/556386647.db2.gz RVPSJQWTMAIKJI-HSZRJFAPSA-N 0 0 432.863 5.626 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c(C)n1-c1nccs1 ZINC000013017491 556438641 /nfs/dbraw/zinc/43/86/41/556438641.db2.gz UXMHFGJOKCLMOX-UHFFFAOYSA-N 0 0 447.560 5.306 50 10 IKCARN COc1ccc(C(=O)Nc2cccc(C=C3SC(Nc4cccc(C)c4)=NC3=O)c2)cc1 ZINC000013039037 556444762 /nfs/dbraw/zinc/44/47/62/556444762.db2.gz KCNOPALMYLLWHP-JCMHNJIXSA-N 0 0 443.528 5.338 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc(C=C3SC(Nc4ccccc4C)=NC3=O)c2)cc1 ZINC000013042130 556448120 /nfs/dbraw/zinc/44/81/20/556448120.db2.gz LZUAXKQTJFYLCD-JCMHNJIXSA-N 0 0 427.529 5.638 50 10 IKCARN COc1ccc(O)c(CN2CC[C@H](c3ccccc3F)Sc3cc(OC)ccc32)c1 ZINC000014880180 556453145 /nfs/dbraw/zinc/45/31/45/556453145.db2.gz DDYQRKBERCVVGU-HSZRJFAPSA-N 0 0 425.525 5.792 50 10 IKCARN Cc1cc(C(=O)CSc2nncn2Cc2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000032869316 556457599 /nfs/dbraw/zinc/45/75/99/556457599.db2.gz LPURHHXSRNADMR-UHFFFAOYSA-N 0 0 444.919 5.094 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000013133984 556481770 /nfs/dbraw/zinc/48/17/70/556481770.db2.gz FWIOIWULYMZZRI-UHFFFAOYSA-N 0 0 448.263 5.175 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000013134053 556481793 /nfs/dbraw/zinc/48/17/93/556481793.db2.gz KONOYYZUSVLXCC-UHFFFAOYSA-N 0 0 430.273 5.035 50 10 IKCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000015011624 556483445 /nfs/dbraw/zinc/48/34/45/556483445.db2.gz FCOYPLQXWARYFK-UNOMPAQXSA-N 0 0 428.535 5.697 50 10 IKCARN Cc1ccnc(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016010 556485210 /nfs/dbraw/zinc/48/52/10/556485210.db2.gz VNZDOJNNZBOYJL-AREMUKBSSA-N 0 0 439.559 6.475 50 10 IKCARN Oc1c([C@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc21 ZINC000015017083 556486447 /nfs/dbraw/zinc/48/64/47/556486447.db2.gz CNRARIIFXOGWOA-HHHXNRCGSA-N 0 0 433.511 6.116 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013145368 556487481 /nfs/dbraw/zinc/48/74/81/556487481.db2.gz YJMQFYNOZBNTNJ-UHFFFAOYSA-N 0 0 427.456 5.016 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000013146244 556488127 /nfs/dbraw/zinc/48/81/27/556488127.db2.gz KPEXSKRNCJCWRD-UHFFFAOYSA-N 0 0 426.856 5.004 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=N)S1 ZINC000030684131 556501784 /nfs/dbraw/zinc/50/17/84/556501784.db2.gz DQBCVEIFEHGLPO-ANVLOLRKSA-N 0 0 433.320 5.673 50 10 IKCARN CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCc1sccc1-3 ZINC000013282847 556501793 /nfs/dbraw/zinc/50/17/93/556501793.db2.gz IZNNDVUEMDDIRU-UHFFFAOYSA-N 0 0 440.977 6.203 50 10 IKCARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2cccs2)=C1C=C1SC(=S)NC1=O ZINC000013304027 556502021 /nfs/dbraw/zinc/50/20/21/556502021.db2.gz RWBUMFPLCDRAEN-DMMSUNFISA-N 0 0 447.606 6.024 50 10 IKCARN Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C=C2SC(=S)NC2=O)cc1 ZINC000013304036 556502065 /nfs/dbraw/zinc/50/20/65/556502065.db2.gz XRSJPTLZINOZRY-MSTPFNHUSA-N 0 0 447.606 6.024 50 10 IKCARN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1 ZINC000013547631 556514225 /nfs/dbraw/zinc/51/42/25/556514225.db2.gz ZDQURCOXIPWRFA-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000030952399 556517850 /nfs/dbraw/zinc/51/78/50/556517850.db2.gz LLMAJGSGRKHSMZ-GQFJHEMJSA-N 0 0 447.347 5.919 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000030976739 556518665 /nfs/dbraw/zinc/51/86/65/556518665.db2.gz JYESIIJEEQEHPO-PCHQCWAOSA-N 0 0 444.541 5.457 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000013590945 556529015 /nfs/dbraw/zinc/52/90/15/556529015.db2.gz KZHAEINZUXXFDZ-OCEACIFDSA-N 0 0 426.328 7.876 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000013618332 556535894 /nfs/dbraw/zinc/53/58/94/556535894.db2.gz YTPCFMAETLNTCO-YVLHZVERSA-N 0 0 439.480 5.519 50 10 IKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000013640945 556542135 /nfs/dbraw/zinc/54/21/35/556542135.db2.gz MUDMZZZWAQDKBZ-ZKTNFTSUSA-N 0 0 440.754 6.499 50 10 IKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1OC ZINC000015800272 556552763 /nfs/dbraw/zinc/55/27/63/556552763.db2.gz IPDYYBGSVUHKOB-XWCAUFEOSA-N 0 0 443.590 5.155 50 10 IKCARN Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000015800435 556553115 /nfs/dbraw/zinc/55/31/15/556553115.db2.gz JOQWVSUTVRPHIT-UNOMPAQXSA-N 0 0 433.982 5.246 50 10 IKCARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)no2)cc1C ZINC000015833079 556554971 /nfs/dbraw/zinc/55/49/71/556554971.db2.gz UBMJIEUQSICECZ-UHFFFAOYSA-N 0 0 429.520 5.460 50 10 IKCARN Cc1ccc(COc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000015856632 556557674 /nfs/dbraw/zinc/55/76/74/556557674.db2.gz PBOUOLJOVTZSNU-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000015857113 556557905 /nfs/dbraw/zinc/55/79/05/556557905.db2.gz WTSATBLSPDVROA-CPNJWEJPSA-N 0 0 449.981 5.028 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC)C2=O)cc1 ZINC000033340198 556562161 /nfs/dbraw/zinc/56/21/61/556562161.db2.gz QNEWSFZUVBCWBJ-XSFVSMFZSA-N 0 0 435.574 5.159 50 10 IKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000015945716 556566851 /nfs/dbraw/zinc/56/68/51/556566851.db2.gz XTKDSGVCZBCGGC-ZMZPIMSZSA-N 0 0 449.414 6.186 50 10 IKCARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947818 556568661 /nfs/dbraw/zinc/56/86/61/556568661.db2.gz SMQKGHAPEDXRRK-DMZKTXOQSA-N 0 0 438.980 6.252 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000032960693 556571374 /nfs/dbraw/zinc/57/13/74/556571374.db2.gz WOROAHBYKIVYLV-UHFFFAOYSA-N 0 0 434.543 6.008 50 10 IKCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000032964255 556586894 /nfs/dbraw/zinc/58/68/94/556586894.db2.gz NKDHHWHKXMQZPI-WKCGMSKDSA-N 0 0 445.935 5.107 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C2=N)S1 ZINC000032964419 556587079 /nfs/dbraw/zinc/58/70/79/556587079.db2.gz PCAAILRAXUDBTM-BWCWTBITSA-N 0 0 446.363 5.449 50 10 IKCARN N=C1/C(=C\c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000032964455 556587217 /nfs/dbraw/zinc/58/72/17/556587217.db2.gz GYDBKTBRUQAVFB-PTMKURNPSA-N 0 0 437.956 5.330 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000016185206 556587689 /nfs/dbraw/zinc/58/76/89/556587689.db2.gz NIQKTNDNVGZKMI-HMAPJEAMSA-N 0 0 447.878 5.633 50 10 IKCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000016192899 556588990 /nfs/dbraw/zinc/58/89/90/556588990.db2.gz QHWGUCHDOWLTPZ-YBEGLDIGSA-N 0 0 437.359 5.060 50 10 IKCARN C[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1ccccc1 ZINC000016193309 556589272 /nfs/dbraw/zinc/58/92/72/556589272.db2.gz CLRSSTQQYNXACC-AABCQZNVSA-N 0 0 435.545 6.372 50 10 IKCARN COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C=C2SC(=S)NC2=O)c1 ZINC000016212954 556591138 /nfs/dbraw/zinc/59/11/38/556591138.db2.gz APJAFADTUJZJAX-PXNMLYILSA-N 0 0 426.346 5.070 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000016488266 556611926 /nfs/dbraw/zinc/61/19/26/556611926.db2.gz DOZBGCDJIPROAT-STZFKDTASA-N 0 0 448.525 5.580 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000033650645 556619400 /nfs/dbraw/zinc/61/94/00/556619400.db2.gz IXQDCYPLUYMDPH-TUKHXMGSSA-N 0 0 439.544 5.070 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=N)S1 ZINC000033662556 556619717 /nfs/dbraw/zinc/61/97/17/556619717.db2.gz STFPPAVSTFAPFT-HRXHUYTNSA-N 0 0 433.581 5.520 50 10 IKCARN COc1ccc(C(N)=O)cc1NN=C1c2ccccc2C=C(C(=O)Nc2ccccc2)C1=O ZINC000038810810 556620094 /nfs/dbraw/zinc/62/00/94/556620094.db2.gz ZWPGSNPNNSTONK-ZQHSETAFSA-N 0 0 440.459 5.321 50 10 IKCARN CCCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c1 ZINC000033678344 556620938 /nfs/dbraw/zinc/62/09/38/556620938.db2.gz RBGOLSCNOGALAQ-HAVVHWLPSA-N 0 0 428.488 5.710 50 10 IKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\C2=Cc3ccccc3OC2)cc1 ZINC000016733495 556632394 /nfs/dbraw/zinc/63/23/94/556632394.db2.gz DJCGJPJXEUFAJW-JLPGSUDCSA-N 0 0 438.552 5.892 50 10 IKCARN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000033785780 556635068 /nfs/dbraw/zinc/63/50/68/556635068.db2.gz RNDUVUOEOQNPKG-SPEDKVCISA-N 0 0 436.349 6.446 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C2=N)S1 ZINC000033829054 556638111 /nfs/dbraw/zinc/63/81/11/556638111.db2.gz MEDBJRMPZRTLEF-ZQFCNSAKSA-N 0 0 433.581 5.466 50 10 IKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1[N+](=O)[O-] ZINC000033829214 556638550 /nfs/dbraw/zinc/63/85/50/556638550.db2.gz LEVAFKURWQIKSD-YBEGLDIGSA-N 0 0 447.322 5.554 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)c(Br)c1O ZINC000013915046 556662078 /nfs/dbraw/zinc/66/20/78/556662078.db2.gz HTHMFZRCEVNREC-NTEUORMPSA-N 0 0 435.705 5.013 50 10 IKCARN COc1cc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc(OC)c1OC ZINC000018054693 556682447 /nfs/dbraw/zinc/68/24/47/556682447.db2.gz BZNDRAQWDSCDCL-OQLLNIDSSA-N 0 0 439.320 5.102 50 10 IKCARN CC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000018168940 556685507 /nfs/dbraw/zinc/68/55/07/556685507.db2.gz XGFZZURANXHOPT-UEMQUKQSSA-N 0 0 444.775 5.221 50 10 IKCARN COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC ZINC000018188422 556686108 /nfs/dbraw/zinc/68/61/08/556686108.db2.gz PWOPJJWARHVWIL-QHCPKHFHSA-N 0 0 445.519 5.180 50 10 IKCARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031559 556711052 /nfs/dbraw/zinc/71/10/52/556711052.db2.gz SHTBDDHHLYMQFP-HFZDXXHNSA-N 0 0 426.604 6.722 50 10 IKCARN CC1CCC(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000033031552 556711126 /nfs/dbraw/zinc/71/11/26/556711126.db2.gz MRMVGVLOAHZZOE-UHFFFAOYSA-N 0 0 426.604 6.722 50 10 IKCARN COc1cccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1OC ZINC000013758845 556727963 /nfs/dbraw/zinc/72/79/63/556727963.db2.gz BKILFALSEJSRSM-UUASQNMZSA-N 0 0 426.346 5.416 50 10 IKCARN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000013758036 556728065 /nfs/dbraw/zinc/72/80/65/556728065.db2.gz MUUMTIXIIRGZGV-QGUUBAPPSA-N 0 0 430.920 5.355 50 10 IKCARN N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013786121 556731757 /nfs/dbraw/zinc/73/17/57/556731757.db2.gz MDHJAUBFUQLHFT-SZRLJQQQSA-N 0 0 431.904 5.904 50 10 IKCARN N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013786133 556731788 /nfs/dbraw/zinc/73/17/88/556731788.db2.gz JQVPHAXEVALNCU-UGIGCIEISA-N 0 0 437.524 5.570 50 10 IKCARN N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000080348236 556738949 /nfs/dbraw/zinc/73/89/49/556738949.db2.gz SEUQEJOCTJXBPB-YZFBNTCLSA-N 0 0 435.347 5.022 50 10 IKCARN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000408822480 556751183 /nfs/dbraw/zinc/75/11/83/556751183.db2.gz MTJFKMRQLUKYMK-NTEUORMPSA-N 0 0 438.755 5.144 50 10 IKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2c(Cl)cccc2Cl)c1C ZINC000003360040 556811801 /nfs/dbraw/zinc/81/18/01/556811801.db2.gz LNSKXCUVWDLQDP-UHFFFAOYSA-N 0 0 438.738 6.420 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1-c1ccccc1 ZINC000003365343 556812032 /nfs/dbraw/zinc/81/20/32/556812032.db2.gz QOWAETKKSMBEKP-UHFFFAOYSA-N 0 0 438.553 5.803 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000096556978 556833822 /nfs/dbraw/zinc/83/38/22/556833822.db2.gz WUOARFMUCWVAPU-LPYMAVHISA-N 0 0 436.964 6.605 50 10 IKCARN Cc1ccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(C)c1 ZINC000334160411 556836551 /nfs/dbraw/zinc/83/65/51/556836551.db2.gz DGNRTRZIHWFBQX-YVLHZVERSA-N 0 0 433.396 5.337 50 10 IKCARN COc1ccccc1/C=C1\SC(=S)N(CNc2cc(Cl)ccc2Cl)C1=O ZINC000334160840 556837050 /nfs/dbraw/zinc/83/70/50/556837050.db2.gz NKAJWCCDKZDBSS-PXNMLYILSA-N 0 0 425.362 5.273 50 10 IKCARN CCOC(=O)c1sc2nc(C)c(C(=O)Nc3ccccc3)c(-c3cccs3)c2c1N ZINC000096602117 556837848 /nfs/dbraw/zinc/83/78/48/556837848.db2.gz OWGQVPDKJNXMMG-UHFFFAOYSA-N 0 0 437.546 5.344 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000008935285 556852686 /nfs/dbraw/zinc/85/26/86/556852686.db2.gz HIMBFNXQVZJWIJ-KRKXHZOKSA-N 0 0 442.515 5.666 50 10 IKCARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(/N=N/[C@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)C1 ZINC000097955971 556873561 /nfs/dbraw/zinc/87/35/61/556873561.db2.gz DNDVUVUSSISDDK-MPIDMUHESA-N 0 0 444.457 5.601 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033153888 556878478 /nfs/dbraw/zinc/87/84/78/556878478.db2.gz KIEFYDMMMNPBHL-XWEQHKKKSA-N 0 0 449.894 6.043 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000016031574 556892080 /nfs/dbraw/zinc/89/20/80/556892080.db2.gz CDRPREWFAAIKMU-NRRYGQPISA-N 0 0 436.596 5.050 50 10 biogenic IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000019799191 556917022 /nfs/dbraw/zinc/91/70/22/556917022.db2.gz CEYZIIPSEISJBJ-RQZCQDPDSA-N 0 0 440.373 5.412 50 10 IKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000019878946 556936441 /nfs/dbraw/zinc/93/64/41/556936441.db2.gz DYOBMMIYFBIJLA-CPNJWEJPSA-N 0 0 439.993 5.804 50 10 IKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000019878944 556936470 /nfs/dbraw/zinc/93/64/70/556936470.db2.gz FQQVIFAPLAGXRR-XSFVSMFZSA-N 0 0 435.574 5.159 50 10 IKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000019878948 556936481 /nfs/dbraw/zinc/93/64/81/556936481.db2.gz OELSEMJJWCBMTR-RCCKNPSSSA-N 0 0 449.601 5.549 50 10 IKCARN COc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)cc1 ZINC000019923752 556944282 /nfs/dbraw/zinc/94/42/82/556944282.db2.gz DFDMMOMXSMAADB-UHFFFAOYSA-N 0 0 446.982 5.069 50 10 IKCARN Cc1ccc(C)n1-c1cccc2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 ZINC000020004284 556957762 /nfs/dbraw/zinc/95/77/62/556957762.db2.gz QKCCDNFJMSPWTF-UHFFFAOYSA-N 0 0 426.394 6.967 50 10 IKCARN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc2N1c1ccccc1 ZINC000020059412 556975559 /nfs/dbraw/zinc/97/55/59/556975559.db2.gz SPSDFQJEYLRXFN-OVVQPSECSA-N 0 0 444.509 7.048 50 10 IKCARN Cc1cc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000017247404 557042054 /nfs/dbraw/zinc/04/20/54/557042054.db2.gz SDVQGNSTKALOJM-MOSHPQCFSA-N 0 0 441.984 5.547 50 10 IKCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1Cl ZINC000033293741 557076712 /nfs/dbraw/zinc/07/67/12/557076712.db2.gz XMCIPBYUOZCZPS-VGOFMYFVSA-N 0 0 443.764 5.193 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)c(C)c1 ZINC000043765342 557077896 /nfs/dbraw/zinc/07/78/96/557077896.db2.gz GXQQCRJNMBUKQF-GOHWNWGWSA-N 0 0 448.563 6.070 50 10 IKCARN CC(C)(C)CC(C)(C)Nc1c(-c2ccccn2)nc2c(OCc3ccccc3)cccn21 ZINC000004754310 557082829 /nfs/dbraw/zinc/08/28/29/557082829.db2.gz MGJDHQRIQIAGFC-UHFFFAOYSA-N 0 0 428.580 6.602 50 10 IKCARN COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000023402460 557090629 /nfs/dbraw/zinc/09/06/29/557090629.db2.gz PWUATGILBMQLQY-HMAPJEAMSA-N 0 0 434.586 5.817 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000043781691 557100860 /nfs/dbraw/zinc/10/08/60/557100860.db2.gz IBIOMFGDGXSFOT-MVERNJQCSA-N 0 0 446.572 5.631 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000023224624 557115933 /nfs/dbraw/zinc/11/59/33/557115933.db2.gz ITNBSKCOYHEVGG-XMMPIXPASA-N 0 0 444.531 5.747 50 10 IKCARN CC(C)COc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 ZINC000033334058 557117230 /nfs/dbraw/zinc/11/72/30/557117230.db2.gz GDFINKGIRIISAS-UCQKPKSFSA-N 0 0 440.499 5.285 50 10 IKCARN CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4cc(Cl)cc(Cl)c4)N=C3C)o2)c1 ZINC000033334137 557117543 /nfs/dbraw/zinc/11/75/43/557117543.db2.gz IMLXVRWBEDDTIM-CIAFOILYSA-N 0 0 439.298 6.262 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1 ZINC000033333127 557117993 /nfs/dbraw/zinc/11/79/93/557117993.db2.gz LCZMSRHETVRHBM-UYRXBGFRSA-N 0 0 434.879 5.501 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000100900484 557118372 /nfs/dbraw/zinc/11/83/72/557118372.db2.gz CCGUWYBTKBLRMC-FYJGNVAPSA-N 0 0 447.878 5.633 50 10 IKCARN CN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC1=S ZINC000098086289 557121999 /nfs/dbraw/zinc/12/19/99/557121999.db2.gz IAMDICDHAIDQDF-OVCLIPMQSA-N 0 0 440.424 5.237 50 10 IKCARN Cc1cccn2c1nc(-c1ccc(Br)o1)c2Nc1ccc2c(c1)OCCO2 ZINC000004794029 557126117 /nfs/dbraw/zinc/12/61/17/557126117.db2.gz APODFDCRPDMCGI-UHFFFAOYSA-N 0 0 426.270 5.180 50 10 aggregator IKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000002305150 557129553 /nfs/dbraw/zinc/12/95/53/557129553.db2.gz MBXFZQVJSJEHLQ-KAMYIIQDSA-N 0 0 438.233 5.599 50 10 IKCARN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc(C)c1Cl ZINC000006804329 557129993 /nfs/dbraw/zinc/12/99/93/557129993.db2.gz DDZQEWNHIHPZNO-UHFFFAOYSA-N 0 0 426.944 5.224 50 10 aggregator IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000102975335 557130273 /nfs/dbraw/zinc/13/02/73/557130273.db2.gz FDLIDSSHLDAKTN-PLNGWDEDSA-N 0 0 431.963 6.411 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000009427720 557145590 /nfs/dbraw/zinc/14/55/90/557145590.db2.gz IEMQXEAZDGYPHV-QAIWHXNASA-N 0 0 449.601 5.548 50 10 IKCARN Cc1ccc(C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)c1 ZINC000016247156 557147772 /nfs/dbraw/zinc/14/77/72/557147772.db2.gz KONIEGUHYGDEPD-UNOMPAQXSA-N 0 0 433.982 5.246 50 10 IKCARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)c(C)n2C ZINC000016393899 557151215 /nfs/dbraw/zinc/15/12/15/557151215.db2.gz SBAZMMTUFFUFMF-JQIJEIRASA-N 0 0 435.527 5.424 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000000756589 557170099 /nfs/dbraw/zinc/17/00/99/557170099.db2.gz CNXUAVONRXYIJZ-ULJHMMPZSA-N 0 0 427.500 5.506 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000097999112 557188300 /nfs/dbraw/zinc/18/83/00/557188300.db2.gz VXNMMMYNCAJUTO-WOJGMQOQSA-N 0 0 433.982 5.537 50 10 IKCARN O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000098002362 557189152 /nfs/dbraw/zinc/18/91/52/557189152.db2.gz QVJMYRDRRWZCJI-NTEUORMPSA-N 0 0 448.392 5.287 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 ZINC000022298599 557195052 /nfs/dbraw/zinc/19/50/52/557195052.db2.gz RELBRUBTDSFJAL-AQTBWJFISA-N 0 0 440.377 5.082 50 10 IKCARN Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000025337208 557204971 /nfs/dbraw/zinc/20/49/71/557204971.db2.gz ACXMMIMAPMHYGB-KBPBESRZSA-N 0 0 428.882 5.058 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccncc2)C[C@@H](C)CC3)c(OC)c1 ZINC000000798222 557213287 /nfs/dbraw/zinc/21/32/87/557213287.db2.gz YVAVYAYPSWUGNI-HNNXBMFYSA-N 0 0 437.565 5.150 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559805 557214421 /nfs/dbraw/zinc/21/44/21/557214421.db2.gz DTJHCLKMMLTZFG-OXQOHEQNSA-N 0 0 445.700 5.643 50 10 IKCARN Cn1c2cc(Br)ccc2nc1/N=N/c1c2ccccc2n(C)c1-c1ccccc1 ZINC000097944370 557230086 /nfs/dbraw/zinc/23/00/86/557230086.db2.gz ZEEUIUYOISINRC-CYYJNZCTSA-N 0 0 444.336 6.910 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000018173628 557245579 /nfs/dbraw/zinc/24/55/79/557245579.db2.gz MRESIZYIMNGHKT-SXWKCWPCSA-N 0 0 430.891 6.306 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000018173590 557245654 /nfs/dbraw/zinc/24/56/54/557245654.db2.gz ZECGSTGJDMTRMU-MIZPHKNDSA-N 0 0 430.891 6.306 50 10 IKCARN O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000018207041 557251888 /nfs/dbraw/zinc/25/18/88/557251888.db2.gz WKHHQLYYQNVCOK-YHBROIRLSA-N 0 0 445.946 5.533 50 10 IKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000027018166 557254260 /nfs/dbraw/zinc/25/42/60/557254260.db2.gz HZTZPVBNXGGBNU-RGEXLXHISA-N 0 0 439.631 5.992 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000027019967 557254940 /nfs/dbraw/zinc/25/49/40/557254940.db2.gz UHGOSJAGAXEUQL-ONUIUJJFSA-N 0 0 432.527 5.962 50 10 IKCARN CCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl ZINC000101114059 557256541 /nfs/dbraw/zinc/25/65/41/557256541.db2.gz DUMFVJKCNCKGGH-LDADJPATSA-N 0 0 432.307 5.279 50 10 IKCARN CC(=O)Nc1cccc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 ZINC000101125577 557261423 /nfs/dbraw/zinc/26/14/23/557261423.db2.gz VDZZEBVSBXWHKC-OQLLNIDSSA-N 0 0 437.714 5.324 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl ZINC000101128816 557261467 /nfs/dbraw/zinc/26/14/67/557261467.db2.gz NKWYDFIVFJQEJW-CPNJWEJPSA-N 0 0 446.334 5.669 50 10 IKCARN O=C(N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000100534429 557263640 /nfs/dbraw/zinc/26/36/40/557263640.db2.gz RUGXSZXNFBPZKD-RVGLIBJPSA-N 0 0 440.528 6.214 50 10 IKCARN Cc1ccc(-c2nc(/C=C3/SC(=S)N(CC(C)C)C3=O)n(-c3ccccc3)n2)cc1 ZINC000027562415 557265419 /nfs/dbraw/zinc/26/54/19/557265419.db2.gz GUMWBDIBCCTCLU-CPNJWEJPSA-N 0 0 434.590 5.100 50 10 IKCARN O=C1C(=CNC2CCCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000100614548 557265958 /nfs/dbraw/zinc/26/59/58/557265958.db2.gz BWCLRTLMALDAPB-LVZFUZTISA-N 0 0 430.577 5.634 50 10 IKCARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)no2)cc1F ZINC000027744903 557272570 /nfs/dbraw/zinc/27/25/70/557272570.db2.gz SYEQFMDZPFZSRY-UHFFFAOYSA-N 0 0 433.483 5.291 50 10 IKCARN O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000101406124 557284062 /nfs/dbraw/zinc/28/40/62/557284062.db2.gz WKHHQLYYQNVCOK-GMQQQROESA-N 0 0 445.946 5.533 50 10 IKCARN CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1OCC ZINC000101673352 557293367 /nfs/dbraw/zinc/29/33/67/557293367.db2.gz YWRQVUFPSDFEKM-RCCKNPSSSA-N 0 0 435.520 5.060 50 10 IKCARN Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000100148595 557335398 /nfs/dbraw/zinc/33/53/98/557335398.db2.gz DIXCICPTZAZZGO-UKTHLTGXSA-N 0 0 425.113 5.474 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1COc1ccc(F)cc1F ZINC000033514777 557335819 /nfs/dbraw/zinc/33/58/19/557335819.db2.gz QHRPXWNMIIQTKS-DJKKODMXSA-N 0 0 435.517 5.162 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 ZINC000033927454 557378710 /nfs/dbraw/zinc/37/87/10/557378710.db2.gz SDSNPUMVZIJDBQ-ULJHMMPZSA-N 0 0 443.572 5.043 50 10 IKCARN O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000033924099 557385085 /nfs/dbraw/zinc/38/50/85/557385085.db2.gz WQVSHHWOOBEAON-ZSOIEALJSA-N 0 0 433.398 6.130 50 10 IKCARN S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(Cc2ccccc2)CC1 ZINC000024007534 557390554 /nfs/dbraw/zinc/39/05/54/557390554.db2.gz YNGOFYLVPFXQFB-UHFFFAOYSA-N 0 0 441.394 5.202 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033457837 557399233 /nfs/dbraw/zinc/39/92/33/557399233.db2.gz XOBYHHZALPNJHD-STZFKDTASA-N 0 0 448.525 5.580 50 10 IKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1 ZINC000102907368 557411868 /nfs/dbraw/zinc/41/18/68/557411868.db2.gz LDXBECMGKIJQKC-OXQOHEQNSA-N 0 0 445.700 5.643 50 10 IKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000100540936 557426063 /nfs/dbraw/zinc/42/60/63/557426063.db2.gz FQKBVKIZMGYNAA-PXLXIMEGSA-N 0 0 447.332 5.834 50 10 IKCARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103523535 557438358 /nfs/dbraw/zinc/43/83/58/557438358.db2.gz CBEXRVVQTDVZCO-RUZDIDTESA-N 0 0 431.580 6.201 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000227204249 557813270 /nfs/dbraw/zinc/81/32/70/557813270.db2.gz QMJYALQHUQUUHD-UMEGOILYSA-N 0 0 425.484 5.519 50 10 IKCARN COc1ccccc1[C@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCOC(C)(C)C1 ZINC000000856826 557831411 /nfs/dbraw/zinc/83/14/11/557831411.db2.gz BCIULTFOTMBIAA-HHHXNRCGSA-N 0 0 438.612 5.027 50 10 biogenic IKCARN Oc1c([C@@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc21 ZINC000002708576 557841294 /nfs/dbraw/zinc/84/12/94/557841294.db2.gz YDSHHDISKUSKFW-FQEVSTJZSA-N 0 0 449.482 6.353 50 10 IKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000016031573 560094393 /nfs/dbraw/zinc/09/43/93/560094393.db2.gz CDRPREWFAAIKMU-DFZDUAMZSA-N 0 0 436.596 5.050 50 10 biogenic,in-vitro IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2oc1C(F)(F)F ZINC000000946474 562919757 /nfs/dbraw/zinc/91/97/57/562919757.db2.gz HJLUWROVCFUBNV-CQSZACIVSA-N 0 0 447.453 5.567 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1 ZINC000002621194 562928514 /nfs/dbraw/zinc/92/85/14/562928514.db2.gz JLYSXIINKUKSSB-UHFFFAOYSA-N 0 0 425.535 5.189 50 10 aggregator IKCARN COc1ccc(NC(=O)c2c(NCc3sccc3C)sc3c2CCCC3)c(OC)c1 ZINC000002909439 562930463 /nfs/dbraw/zinc/93/04/63/562930463.db2.gz VIJBCJPGGXFSML-UHFFFAOYSA-N 0 0 442.606 5.878 50 10 IKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@H](C)C3)c(OC)c1 ZINC000002909519 562930493 /nfs/dbraw/zinc/93/04/93/562930493.db2.gz VMNPQFWQMWXCCL-AWEZNQCLSA-N 0 0 442.606 5.816 50 10 IKCARN COc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCCC2 ZINC000002909649 562930502 /nfs/dbraw/zinc/93/05/02/562930502.db2.gz GYLZLGRRHSDLLZ-UHFFFAOYSA-N 0 0 426.607 6.260 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3cccc(F)c3)c2)c1C ZINC000002929243 562930706 /nfs/dbraw/zinc/93/07/06/562930706.db2.gz MQNIBMHMOPHKPG-UHFFFAOYSA-N 0 0 442.490 6.021 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@H](C)CC2 ZINC000008583584 562949723 /nfs/dbraw/zinc/94/97/23/562949723.db2.gz NVDFKQLULUJTAD-CQSZACIVSA-N 0 0 441.984 5.794 50 10 IKCARN CCOc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1OCC ZINC000008590265 562951551 /nfs/dbraw/zinc/95/15/51/562951551.db2.gz PQMUGFOLGWOGRP-UHFFFAOYSA-N 0 0 446.591 5.434 50 10 IKCARN CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008603246 562955987 /nfs/dbraw/zinc/95/59/87/562955987.db2.gz CYWRLDOANHKLFI-UHFFFAOYSA-N 0 0 442.563 5.057 50 10 IKCARN CC1=CN2C(=NC(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C2=N)S1 ZINC000008684681 562962227 /nfs/dbraw/zinc/96/22/27/562962227.db2.gz PMTIBESCFQQNOG-OMYHDSEFSA-N 0 0 442.544 5.277 50 10 aggregator IKCARN Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2O)cc1 ZINC000009659472 562974751 /nfs/dbraw/zinc/97/47/51/562974751.db2.gz QPBAKFDVZNTOEI-OAQYLSRUSA-N 0 0 435.321 5.455 50 10 IKCARN Oc1c([C@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc21 ZINC000013062707 562984224 /nfs/dbraw/zinc/98/42/24/562984224.db2.gz YDSHHDISKUSKFW-HXUWFJFHSA-N 0 0 449.482 6.353 50 10 IKCARN COc1cccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)c1 ZINC000020755898 563025059 /nfs/dbraw/zinc/02/50/59/563025059.db2.gz HRRRIURHGMFFFH-JOCHJYFZSA-N 0 0 448.906 5.130 50 10 IKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@@H]42)c1 ZINC000222389315 568643097 /nfs/dbraw/zinc/64/30/97/568643097.db2.gz YBSJBYCBSDKPCS-QCUMIWAISA-N 0 0 449.348 6.252 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000211026667 568644645 /nfs/dbraw/zinc/64/46/45/568644645.db2.gz YRCNNJNWLBMISR-XYGWBWBKSA-N 0 0 439.515 5.127 50 10 IKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O ZINC000015227596 568735089 /nfs/dbraw/zinc/73/50/89/568735089.db2.gz JTGDOEMJERFFKS-MHHBVAOCSA-N 0 0 445.573 5.295 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001201189 568737071 /nfs/dbraw/zinc/73/70/71/568737071.db2.gz SGPMKNKJBYIGQQ-UNOMPAQXSA-N 0 0 433.982 5.539 50 10 IKCARN Nc1c(C(=O)c2ccc(F)cc2)sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000006017281 568740259 /nfs/dbraw/zinc/74/02/59/568740259.db2.gz NEESTLWIOULMAN-UHFFFAOYSA-N 0 0 428.492 5.987 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000001795089 568740269 /nfs/dbraw/zinc/74/02/69/568740269.db2.gz VBBKEEUHVRVHBL-STZFKDTASA-N 0 0 425.575 5.418 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1OC ZINC000001903433 568742149 /nfs/dbraw/zinc/74/21/49/568742149.db2.gz UDRUOQXXIGRIDO-QNGOZBTKSA-N 0 0 442.606 5.346 50 10 IKCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000003249921 568743657 /nfs/dbraw/zinc/74/36/57/568743657.db2.gz QCJGGATYWOAQCS-UHFFFAOYSA-N 0 0 434.389 5.048 50 10 IKCARN Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085593 568747393 /nfs/dbraw/zinc/74/73/93/568747393.db2.gz CUEKDARYHJNFLZ-UHFFFAOYSA-N 0 0 436.762 5.234 50 10 IKCARN O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)Nc1ccccc1 ZINC000044086348 568747964 /nfs/dbraw/zinc/74/79/64/568747964.db2.gz KTQLOAOFGVFHPZ-UHFFFAOYSA-N 0 0 444.516 5.237 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)cc1 ZINC000044086316 568748019 /nfs/dbraw/zinc/74/80/19/568748019.db2.gz YIXBCOGOWSUYPU-UHFFFAOYSA-N 0 0 439.584 5.588 50 10 IKCARN Cc1cc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003389926 568748317 /nfs/dbraw/zinc/74/83/17/568748317.db2.gz FWGSMQQKPDTXND-QFIPXVFZSA-N 0 0 449.507 5.135 50 10 IKCARN CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000003669474 568754129 /nfs/dbraw/zinc/75/41/29/568754129.db2.gz OLXABKMCANPZHY-VMTNTFKOSA-N 0 0 448.657 6.509 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000003671141 568754131 /nfs/dbraw/zinc/75/41/31/568754131.db2.gz NHXADBBAVOJIAK-RWCIVJTCSA-N 0 0 435.954 7.551 50 10 IKCARN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000003768798 568754473 /nfs/dbraw/zinc/75/44/73/568754473.db2.gz HJEIVXUIGFWKHQ-SFQUDFHCSA-N 0 0 434.380 5.644 50 10 IKCARN CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000004045342 568759717 /nfs/dbraw/zinc/75/97/17/568759717.db2.gz BKXAFGRRYFFWCA-VMTNTFKOSA-N 0 0 448.657 6.509 50 10 IKCARN Cc1cc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)ccc1Cl ZINC000001249084 568774961 /nfs/dbraw/zinc/77/49/61/568774961.db2.gz FUHFTQRJQMAWRL-ODLFYWEKSA-N 0 0 428.966 5.171 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Cl ZINC000001262886 568775358 /nfs/dbraw/zinc/77/53/58/568775358.db2.gz XCBWOQRBWPCKMS-JXLMVQBASA-N 0 0 442.993 5.516 50 10 IKCARN CCN(CC)P(=NN=Nc1nc2ccccc2s1)(c1ccccc1)N(CC)CC ZINC000263621584 568778431 /nfs/dbraw/zinc/77/84/31/568778431.db2.gz ODKIOWSXMWVSQZ-UHFFFAOYSA-N 0 0 428.546 6.335 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000083333333 568780166 /nfs/dbraw/zinc/78/01/66/568780166.db2.gz MAUGBYQSQZVUAG-UYRXBGFRSA-N 0 0 449.498 5.658 50 10 IKCARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000004132899 568781189 /nfs/dbraw/zinc/78/11/89/568781189.db2.gz QTFBGSKBYZNYHK-QGHHPUGFSA-N 0 0 435.387 5.221 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=N)S1 ZINC000032109403 568781197 /nfs/dbraw/zinc/78/11/97/568781197.db2.gz ZDCBBPDCCPSMFA-FEFLXVRVSA-N 0 0 433.320 5.529 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C(F)(F)F)cc(C(F)(F)F)n2n1 ZINC000001394442 568785534 /nfs/dbraw/zinc/78/55/34/568785534.db2.gz GECIRPATOTUJFO-UHFFFAOYSA-N 0 0 430.377 5.903 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(C)n1-c1ccccc1 ZINC000001410424 568787889 /nfs/dbraw/zinc/78/78/89/568787889.db2.gz DIBGRUYRZHICNO-FYJGNVAPSA-N 0 0 433.489 5.239 50 10 IKCARN O=C(CCc1nc(-c2ccco2)no1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000084522607 568798442 /nfs/dbraw/zinc/79/84/42/568798442.db2.gz UQCITIDNPFDASO-RUZDIDTESA-N 0 0 439.471 5.027 50 10 IKCARN CCc1cc2c(oc(=O)c3cnc4c(sc5nc(C)cc(C)c54)c32)c(C[NH+](C)C)c1[O-] ZINC000032501416 568811661 /nfs/dbraw/zinc/81/16/61/568811661.db2.gz CUEGAKHMQVXOGQ-UHFFFAOYSA-N 0 0 433.533 5.051 50 10 IKCARN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C)c1-c1ccc([N+](=O)[O-])cc1 ZINC000085392461 568817073 /nfs/dbraw/zinc/81/70/73/568817073.db2.gz OVRDLHRBVCOIMV-UHFFFAOYSA-N 0 0 431.448 5.001 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C ZINC000001474247 568822674 /nfs/dbraw/zinc/82/26/74/568822674.db2.gz ATOCBSRHJRFOBM-UQQQWYQISA-N 0 0 448.526 5.662 50 10 IKCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000015855784 568845227 /nfs/dbraw/zinc/84/52/27/568845227.db2.gz FNDLHBSDHJIFDE-QDLOHUEYSA-N 0 0 446.919 5.576 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000006144598 568846069 /nfs/dbraw/zinc/84/60/69/568846069.db2.gz WVDIMIVWIGYONS-KHCICDEESA-N 0 0 441.402 6.836 50 10 IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2oc1C(F)(F)F ZINC000006162687 568849051 /nfs/dbraw/zinc/84/90/51/568849051.db2.gz VSVRCAWGDWSIPT-CQSZACIVSA-N 0 0 447.453 5.425 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053362992 568866370 /nfs/dbraw/zinc/86/63/70/568866370.db2.gz LHKFLWITZTXWMU-RBBKRZOGSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053363357 568866623 /nfs/dbraw/zinc/86/66/23/568866623.db2.gz GOKPNPFDVOSOHR-BKMJKUGQSA-N 0 0 432.520 5.031 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363415 568866652 /nfs/dbraw/zinc/86/66/52/568866652.db2.gz FUBNFRSZFRLGMW-UNMCSNQZSA-N 0 0 441.756 6.031 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363473 568866662 /nfs/dbraw/zinc/86/66/62/568866662.db2.gz UBRBQWJWTXYKPE-UNMCSNQZSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364004 568866796 /nfs/dbraw/zinc/86/67/96/568866796.db2.gz ROCJHQMCWKHAER-OZXSUGGESA-N 0 0 434.511 5.551 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363604 568866803 /nfs/dbraw/zinc/86/68/03/568866803.db2.gz CIDRZNDAZISVBJ-NZQKXSOJSA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364242 568866838 /nfs/dbraw/zinc/86/68/38/568866838.db2.gz UWPOMJDWCWXIJZ-RPLLCQBOSA-N 0 0 430.548 5.584 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3C)N2)c1O ZINC000053364068 568866853 /nfs/dbraw/zinc/86/68/53/568866853.db2.gz MGAMIBGLZMRTJA-LSYYVWMOSA-N 0 0 428.576 6.193 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3C)N2)c1O ZINC000053363980 568866884 /nfs/dbraw/zinc/86/68/84/568866884.db2.gz XPTZKBJWHWMSEK-OZXSUGGESA-N 0 0 434.967 6.284 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364736 568867131 /nfs/dbraw/zinc/86/71/31/568867131.db2.gz HNLRLWZOJZIQBX-ISKFKSNPSA-N 0 0 425.359 6.484 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364881 568867144 /nfs/dbraw/zinc/86/71/44/568867144.db2.gz JGVXUDRJFBAANG-UPVQGACJSA-N 0 0 441.358 6.320 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2cccc(Cl)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053364688 568867157 /nfs/dbraw/zinc/86/71/57/568867157.db2.gz QSHJXGBTSBRZKH-IRLDBZIGSA-N 0 0 441.756 6.031 50 10 IKCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000016283242 568875445 /nfs/dbraw/zinc/87/54/45/568875445.db2.gz OSAGDZOYNQGRCV-NDENLUEZSA-N 0 0 436.514 5.565 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 ZINC000016292742 568875569 /nfs/dbraw/zinc/87/55/69/568875569.db2.gz ZPXIVMYZHGKVFE-ULJHMMPZSA-N 0 0 440.568 5.867 50 10 IKCARN COc1ccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000006397289 568876030 /nfs/dbraw/zinc/87/60/30/568876030.db2.gz IHUQMSMIRSMDBD-VTJDKEBTSA-N 0 0 444.918 5.787 50 10 IKCARN O=C(COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc1)N1CCCCC1 ZINC000035392004 568880891 /nfs/dbraw/zinc/88/08/91/568880891.db2.gz UINQBVNBGHZANO-VBOOUTDYSA-N 0 0 438.571 6.058 50 10 IKCARN CCN(CC)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1 ZINC000033605450 568884433 /nfs/dbraw/zinc/88/44/33/568884433.db2.gz YREBUQFUGONNSP-QURGRASLSA-N 0 0 434.840 5.376 50 10 IKCARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1O)CC2 ZINC000022023269 568891601 /nfs/dbraw/zinc/89/16/01/568891601.db2.gz PKXNQUUEFVHQSL-XMMPIXPASA-N 0 0 444.358 5.864 50 10 IKCARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1O)CC2 ZINC000022023268 568891619 /nfs/dbraw/zinc/89/16/19/568891619.db2.gz PKXNQUUEFVHQSL-DEOSSOPVSA-N 0 0 444.358 5.864 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1 ZINC000006417492 568894378 /nfs/dbraw/zinc/89/43/78/568894378.db2.gz NLELBJMXLVRQLV-JTSKRJEESA-N 0 0 425.642 6.564 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1 ZINC000016429436 568900840 /nfs/dbraw/zinc/90/08/40/568900840.db2.gz CSTAOLMAVXWWKV-PDGQHHTCSA-N 0 0 448.407 6.243 50 10 IKCARN O=C(N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000006446070 568907386 /nfs/dbraw/zinc/90/73/86/568907386.db2.gz RUGXSZXNFBPZKD-CFZMGFRKSA-N 0 0 440.528 6.214 50 10 IKCARN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc31)C2 ZINC000001799120 568908330 /nfs/dbraw/zinc/90/83/30/568908330.db2.gz LWTOUQIZYBPKCQ-SOKVYYICSA-N 0 0 443.547 5.443 50 10 biogenic IKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000001808395 568908884 /nfs/dbraw/zinc/90/88/84/568908884.db2.gz DSCXKEWIHWGJJV-OAHLLOKOSA-N 0 0 432.347 6.237 50 10 IKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000058851362 568909467 /nfs/dbraw/zinc/90/94/67/568909467.db2.gz MUDMZZZWAQDKBZ-UFYHVXEKSA-N 0 0 440.754 6.499 50 10 IKCARN CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025578331 568909766 /nfs/dbraw/zinc/90/97/66/568909766.db2.gz DDFODXNBWVAKQG-VWNXMTODSA-N 0 0 438.358 6.302 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000026967828 568928091 /nfs/dbraw/zinc/92/80/91/568928091.db2.gz QNAPXNYKNJLCJG-ZLYHGVDXSA-N 0 0 440.373 5.634 50 10 IKCARN O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1cccs1)c1ccccc1 ZINC000027025957 568939432 /nfs/dbraw/zinc/93/94/32/568939432.db2.gz AGNUJDCJDFHAOY-USTXVIIHSA-N 0 0 440.528 6.214 50 10 IKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2 ZINC000004757794 568940211 /nfs/dbraw/zinc/94/02/11/568940211.db2.gz BLUIHVLQEBVNNN-VHFRWLAGSA-N 0 0 425.528 6.269 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3F)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000054360606 568940548 /nfs/dbraw/zinc/94/05/48/568940548.db2.gz SQUGJQCGHKSCNK-GRSHGNNSSA-N 0 0 425.462 5.220 50 10 IKCARN CCN1C(=O)/C(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000002065446 568941626 /nfs/dbraw/zinc/94/16/26/568941626.db2.gz ONZWGFGYRTWEHO-HHQODBOJSA-N 0 0 434.630 6.119 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCCCC3)cc2)C1 ZINC000006782065 568985235 /nfs/dbraw/zinc/98/52/35/568985235.db2.gz ORYIRTDSAKTZLL-OAQYLSRUSA-N 0 0 426.604 6.722 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCc1ccccc1 ZINC000006821602 569077967 /nfs/dbraw/zinc/07/79/67/569077967.db2.gz SQAPXVMKDQPEKE-HYARGMPZSA-N 0 0 432.907 5.734 50 10 IKCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1cc(C)c(C)s1 ZINC000036366854 569087349 /nfs/dbraw/zinc/08/73/49/569087349.db2.gz FFGASHHZOXFFQI-UHFFFAOYSA-N 0 0 446.576 5.386 50 10 IKCARN N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000007018027 569118478 /nfs/dbraw/zinc/11/84/78/569118478.db2.gz MJOISAZNPMMSRV-XKVLWOBQSA-N 0 0 432.892 5.267 50 10 IKCARN COC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2c1N ZINC000009910446 569150467 /nfs/dbraw/zinc/15/04/67/569150467.db2.gz SSJHOLXREPEIPX-UHFFFAOYSA-N 0 0 434.517 5.325 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCc1ccccc1 ZINC000013914983 569157438 /nfs/dbraw/zinc/15/74/38/569157438.db2.gz URSULVRTIFPRRB-ZHZULCJRSA-N 0 0 432.907 5.734 50 10 IKCARN CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000089677971 569161231 /nfs/dbraw/zinc/16/12/31/569161231.db2.gz VNTGDQIZCUIUDE-VWLOTQADSA-N 0 0 436.515 5.251 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000002367712 569180784 /nfs/dbraw/zinc/18/07/84/569180784.db2.gz RXTNFGXKMQIACF-HYTQYMIGSA-N 0 0 437.565 5.678 50 10 IKCARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(OCc3ccccc3)cc1)CO2 ZINC000002113545 569182187 /nfs/dbraw/zinc/18/21/87/569182187.db2.gz FDQMPKQELRXZMV-UHFFFAOYSA-N 0 0 449.506 6.190 50 10 biogenic IKCARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3 ZINC000002118811 569182717 /nfs/dbraw/zinc/18/27/17/569182717.db2.gz NAPSTGAUPMCDST-UHFFFAOYSA-N 0 0 427.500 5.654 50 10 biogenic IKCARN CCOc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000002122756 569183554 /nfs/dbraw/zinc/18/35/54/569183554.db2.gz DKDHVKHOGVCNLE-UHFFFAOYSA-N 0 0 441.527 5.756 50 10 biogenic IKCARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OCc3ccccc3)cc2)CO1 ZINC000002122254 569183655 /nfs/dbraw/zinc/18/36/55/569183655.db2.gz VLYIUQAVZOZCCL-UHFFFAOYSA-N 0 0 427.500 5.681 50 10 biogenic IKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000002533181 569185774 /nfs/dbraw/zinc/18/57/74/569185774.db2.gz GPPVVTOTOPATDR-PGMHBOJBSA-N 0 0 449.601 5.167 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C1CCCCC1 ZINC000002533125 569185786 /nfs/dbraw/zinc/18/57/86/569185786.db2.gz FSFSDDYRURYRBM-JWGURIENSA-N 0 0 445.613 6.073 50 10 IKCARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3 ZINC000002158812 569187714 /nfs/dbraw/zinc/18/77/14/569187714.db2.gz RZRDEGOXKBGWCM-UHFFFAOYSA-N 0 0 427.500 5.599 50 10 biogenic IKCARN CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002208909 569194070 /nfs/dbraw/zinc/19/40/70/569194070.db2.gz VFVZYZJRXUZGHY-PGMHBOJBSA-N 0 0 438.618 5.025 50 10 IKCARN O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)C2CCCCC2)c1)C1CCCCC1 ZINC000252623314 569202070 /nfs/dbraw/zinc/20/20/70/569202070.db2.gz OOJRSPMIYZBCIO-UHFFFAOYSA-N 0 0 432.568 7.140 50 10 IKCARN COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000037613798 569203071 /nfs/dbraw/zinc/20/30/71/569203071.db2.gz KLLKBTDTOANIRJ-SLSDLSHTSA-N 0 0 432.545 5.323 50 10 IKCARN Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 ZINC000002217188 569203802 /nfs/dbraw/zinc/20/38/02/569203802.db2.gz KTBQOKFPNMOWBU-PDGQHHTCSA-N 0 0 445.009 5.495 50 10 IKCARN CCOc1ccc(N=Nc2c(N)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000252633845 569206062 /nfs/dbraw/zinc/20/60/62/569206062.db2.gz WHDBVSYNYHEYOA-UHFFFAOYSA-N 0 0 434.503 6.460 50 10 IKCARN Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O ZINC000002227192 569206913 /nfs/dbraw/zinc/20/69/13/569206913.db2.gz WVGUXEMLIZTNSQ-BKUYFWCQSA-N 0 0 449.601 5.466 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2ccc(N(C)C)cc2)sc2c1CCC2 ZINC000003066002 569213123 /nfs/dbraw/zinc/21/31/23/569213123.db2.gz LZNFAVDDQDCATD-UHFFFAOYSA-N 0 0 435.593 5.566 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21)CC(C)C ZINC000002240684 569213601 /nfs/dbraw/zinc/21/36/01/569213601.db2.gz IDANMNHWJSGHEV-UHFFFAOYSA-N 0 0 436.577 5.889 50 10 IKCARN Cc1cccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000027470570 569213850 /nfs/dbraw/zinc/21/38/50/569213850.db2.gz USJAMXBERWLCFE-HAHDFKILSA-N 0 0 449.476 5.914 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1Cl ZINC000002250063 569214818 /nfs/dbraw/zinc/21/48/18/569214818.db2.gz KDGQNPJODBJKLQ-UCQKPKSFSA-N 0 0 445.996 7.361 50 10 IKCARN Cc1c(Cl)cccc1NC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000002260836 569215697 /nfs/dbraw/zinc/21/56/97/569215697.db2.gz SOPIHETTZJMHHB-UHFFFAOYSA-N 0 0 443.975 5.400 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000002260270 569215724 /nfs/dbraw/zinc/21/57/24/569215724.db2.gz WINKJZZNRYCLPV-ZHZULCJRSA-N 0 0 435.574 5.159 50 10 IKCARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000027521618 569218215 /nfs/dbraw/zinc/21/82/15/569218215.db2.gz KJVSCZMWXCHJHZ-STZFKDTASA-N 0 0 432.907 5.500 50 10 IKCARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000027521616 569218227 /nfs/dbraw/zinc/21/82/27/569218227.db2.gz JFYHJHKKXQHQOG-STZFKDTASA-N 0 0 446.934 5.809 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(Cl)c(C)c2)cc1 ZINC000027521179 569218335 /nfs/dbraw/zinc/21/83/35/569218335.db2.gz XJIFKVIGBDBPEL-UQQQWYQISA-N 0 0 446.953 6.965 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccccc2Cl)cc1 ZINC000027521175 569218340 /nfs/dbraw/zinc/21/83/40/569218340.db2.gz AJICDNVIJKSIRF-QJOMJCCJSA-N 0 0 432.926 6.656 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000002281606 569263333 /nfs/dbraw/zinc/26/33/33/569263333.db2.gz OZYNDHCDVGHDJC-QNGOZBTKSA-N 0 0 438.618 5.486 50 10 IKCARN Cc1ccc(Nc2cc(N(C)Cc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002287874 569263952 /nfs/dbraw/zinc/26/39/52/569263952.db2.gz GOIHNURUUXIGJR-UHFFFAOYSA-N 0 0 445.522 6.728 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000239433301 569269050 /nfs/dbraw/zinc/26/90/50/569269050.db2.gz XMOGORDPIWNJPL-VSALZBCGSA-N 0 0 446.388 6.546 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000245377246 569269799 /nfs/dbraw/zinc/26/97/99/569269799.db2.gz JMZLFTVBMPZFSD-VURPSTOHSA-N 0 0 445.946 5.533 50 10 IKCARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000248022796 569270189 /nfs/dbraw/zinc/27/01/89/569270189.db2.gz GACKBCGBQGSCSV-AHWVRZQESA-N 0 0 447.966 6.047 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000002301427 569271435 /nfs/dbraw/zinc/27/14/35/569271435.db2.gz IPMVBBPLDKTQIY-MOSHPQCFSA-N 0 0 435.574 5.077 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1cc(Cl)ccc1O)c1ccc(C)cc1 ZINC000027571953 569273659 /nfs/dbraw/zinc/27/36/59/569273659.db2.gz GTCRVSFIFHERSR-LJSCERKKSA-N 0 0 428.919 6.244 50 10 IKCARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 ZINC000253496034 569283163 /nfs/dbraw/zinc/28/31/63/569283163.db2.gz ZJJXQLCFUKZGPK-JTOYMXJDSA-N 0 0 436.555 6.324 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1ccncc1 ZINC000299764284 569283521 /nfs/dbraw/zinc/28/35/21/569283521.db2.gz SWWCKARQVKMZHC-JOCHJYFZSA-N 0 0 440.952 5.716 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1ccccc1OC ZINC000299774033 569283627 /nfs/dbraw/zinc/28/36/27/569283627.db2.gz FCJDXYOUQQEHQZ-DEOSSOPVSA-N 0 0 435.545 5.676 50 10 IKCARN COc1ccc(CN2CC[C@H](c3ccccc3F)Sc3cc(OC)ccc32)c(O)c1 ZINC000299769128 569283633 /nfs/dbraw/zinc/28/36/33/569283633.db2.gz NITYCNUOWZMGNX-HSZRJFAPSA-N 0 0 425.525 5.792 50 10 IKCARN CC1(c2ccccc2)OC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O1 ZINC000002368093 569288599 /nfs/dbraw/zinc/28/85/99/569288599.db2.gz BRITXZXPCLKLCP-UHFFFAOYSA-N 0 0 441.458 5.185 50 10 IKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O1 ZINC000002373549 569289232 /nfs/dbraw/zinc/28/92/32/569289232.db2.gz RKMQFDQWRCUEPI-UHFFFAOYSA-N 0 0 437.923 5.589 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000008888387 569292036 /nfs/dbraw/zinc/29/20/36/569292036.db2.gz UJKOANSDHYPCSO-UHFFFAOYSA-N 0 0 428.439 6.144 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3NCCc1ccccc1 ZINC000002393068 569297996 /nfs/dbraw/zinc/29/79/96/569297996.db2.gz ZVKNDOLNBROSBI-UHFFFAOYSA-N 0 0 431.495 6.437 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC000011869513 569303133 /nfs/dbraw/zinc/30/31/33/569303133.db2.gz NYPMOHTYSGSIJQ-INIZCTEOSA-N 0 0 445.563 5.155 50 10 IKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C2=N)S1 ZINC000002450265 569304952 /nfs/dbraw/zinc/30/49/52/569304952.db2.gz PWUAGIUTRPUYHV-PEODKBGFSA-N 0 0 442.544 5.196 50 10 IKCARN COc1ccc(-c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2C)cc1OC ZINC000012955302 569305145 /nfs/dbraw/zinc/30/51/45/569305145.db2.gz QBBOLNZCIIZAQO-UHFFFAOYSA-N 0 0 444.560 5.858 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013141756 569311791 /nfs/dbraw/zinc/31/17/91/569311791.db2.gz YZMHEHQZNXWLAO-UHFFFAOYSA-N 0 0 446.286 5.169 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013141865 569311807 /nfs/dbraw/zinc/31/18/07/569311807.db2.gz YDLBSJBXCCMFMW-UHFFFAOYSA-N 0 0 446.286 5.169 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013148392 569312003 /nfs/dbraw/zinc/31/20/03/569312003.db2.gz OGPSJHKCAMMSNS-UHFFFAOYSA-N 0 0 446.286 5.169 50 10 IKCARN O=c1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(C(F)(F)F)c1Oc1ccccc1Cl ZINC000019793016 569329342 /nfs/dbraw/zinc/32/93/42/569329342.db2.gz VSVFXMUBDWVHEC-UHFFFAOYSA-N 0 0 439.817 5.559 50 10 IKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc21 ZINC000019793067 569329353 /nfs/dbraw/zinc/32/93/53/569329353.db2.gz ZKVVFHPXYKRBLQ-UHFFFAOYSA-N 0 0 449.469 6.240 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000020037446 569332773 /nfs/dbraw/zinc/33/27/73/569332773.db2.gz SQIGARSTYLZYEZ-FLBMWDQJSA-N 0 0 430.455 5.280 50 10 IKCARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)c1OC ZINC000020070710 569333362 /nfs/dbraw/zinc/33/33/62/569333362.db2.gz IGIKCDMWPFJRJZ-CYFREDJKSA-N 0 0 436.895 5.305 50 10 IKCARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070704 569333380 /nfs/dbraw/zinc/33/33/80/569333380.db2.gz GGBCREULTAGHTC-DVECYGJZSA-N 0 0 436.895 5.305 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)c1 ZINC000020070918 569333419 /nfs/dbraw/zinc/33/34/19/569333419.db2.gz MLMLIWQQSBSMMR-GHTZIAJQSA-N 0 0 441.350 5.767 50 10 IKCARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)c1OC ZINC000020070796 569333430 /nfs/dbraw/zinc/33/34/30/569333430.db2.gz WKAVKZMULJNSGK-YADARESESA-N 0 0 436.895 5.305 50 10 IKCARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)c1OC ZINC000020070801 569333433 /nfs/dbraw/zinc/33/34/33/569333433.db2.gz WKAVKZMULJNSGK-NTKDMRAZSA-N 0 0 436.895 5.305 50 10 IKCARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1OC ZINC000020070790 569333457 /nfs/dbraw/zinc/33/34/57/569333457.db2.gz JFOCPAHVCOGNAJ-NTKDMRAZSA-N 0 0 436.895 5.305 50 10 IKCARN Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)cc(Cl)c2cccnc12 ZINC000020192797 569355764 /nfs/dbraw/zinc/35/57/64/569355764.db2.gz SCQQYALPWAEOLD-DEOSSOPVSA-N 0 0 448.929 5.040 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000020210567 569356156 /nfs/dbraw/zinc/35/61/56/569356156.db2.gz NHYYZCMTHOOMGA-SLWLXCFBSA-N 0 0 425.945 5.330 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=N)S1 ZINC000020238712 569357627 /nfs/dbraw/zinc/35/76/27/569357627.db2.gz CQRUXAMKDFQHDV-FBWOYIDMSA-N 0 0 430.599 5.904 50 10 IKCARN CCc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000020324844 569360356 /nfs/dbraw/zinc/36/03/56/569360356.db2.gz OWNPQEMEVXLPSE-ZHZULCJRSA-N 0 0 437.611 6.540 50 10 IKCARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)c1 ZINC000080324593 569362279 /nfs/dbraw/zinc/36/22/79/569362279.db2.gz FLILAMIIHKBRPE-UMEGOILYSA-N 0 0 434.536 5.761 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000096568967 569401477 /nfs/dbraw/zinc/40/14/77/569401477.db2.gz ZNYVNHRFSROBOI-UDWIEESQSA-N 0 0 443.355 6.642 50 10 IKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(Cl)c(Cl)c2)C(=O)C1 ZINC000002512797 569407102 /nfs/dbraw/zinc/40/71/02/569407102.db2.gz LSNOPVZBXBQPRS-GFCCVEGCSA-N 0 0 449.175 6.979 50 10 IKCARN CC(=O)[C@@H](CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002616057 569410125 /nfs/dbraw/zinc/41/01/25/569410125.db2.gz AJTPKCWNGADTNE-HSZRJFAPSA-N 0 0 436.939 5.473 50 10 IKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3Cc3ccccc3)c2C)cc1 ZINC000002625765 569411581 /nfs/dbraw/zinc/41/15/81/569411581.db2.gz HGLFGTALNJFABF-UHFFFAOYSA-N 0 0 446.576 5.026 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(NCc4ccccc4OC)n3)c2C)cc1 ZINC000002647265 569414342 /nfs/dbraw/zinc/41/43/42/569414342.db2.gz KILYTRJNMHYCAH-UHFFFAOYSA-N 0 0 447.560 5.625 50 10 IKCARN CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000002649403 569414579 /nfs/dbraw/zinc/41/45/79/569414579.db2.gz PGVWJJKJNHRRTD-UHFFFAOYSA-N 0 0 447.318 5.234 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1ccc(C)cc1 ZINC000002680329 569416766 /nfs/dbraw/zinc/41/67/66/569416766.db2.gz LIDDVCFIPVIGGU-UHFFFAOYSA-N 0 0 433.602 5.871 50 10 IKCARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)cc3)c2C)cc1 ZINC000002679453 569416768 /nfs/dbraw/zinc/41/67/68/569416768.db2.gz FFUFENNLZYEVPK-UHFFFAOYSA-N 0 0 427.953 5.899 50 10 IKCARN Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000002712585 569417755 /nfs/dbraw/zinc/41/77/55/569417755.db2.gz LPWHXXVCBOUINF-STZFKDTASA-N 0 0 427.591 5.310 50 10 IKCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000002828154 569423168 /nfs/dbraw/zinc/42/31/68/569423168.db2.gz QELVETCQCOZSGY-QDLOHUEYSA-N 0 0 446.919 5.576 50 10 IKCARN COc1ccc(-c2csc(NCc3c(O)ccc4ccccc43)n2)cc1Br ZINC000002845779 569423357 /nfs/dbraw/zinc/42/33/57/569423357.db2.gz UCDKXRPMJJDCNF-UHFFFAOYSA-N 0 0 441.350 6.052 50 10 IKCARN CCCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 ZINC000002911257 569425010 /nfs/dbraw/zinc/42/50/10/569425010.db2.gz KIVSPYDNNYNCLW-HSZRJFAPSA-N 0 0 449.624 6.170 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)c1C ZINC000002929037 569425990 /nfs/dbraw/zinc/42/59/90/569425990.db2.gz YNOXTFAKSOHUEF-CLOONOSVSA-N 0 0 444.575 5.938 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC3CCCCC3)c2)c1C ZINC000002929118 569426001 /nfs/dbraw/zinc/42/60/01/569426001.db2.gz PBUCTMUKTJBDMY-UHFFFAOYSA-N 0 0 430.548 5.692 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NCc3ccccc3)c2)c1C ZINC000002928801 569426030 /nfs/dbraw/zinc/42/60/30/569426030.db2.gz CISMPJQBVNMXFD-UHFFFAOYSA-N 0 0 438.527 5.559 50 10 IKCARN CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(Cl)c(C)c3)c2)SC1=S ZINC000002977622 569433630 /nfs/dbraw/zinc/43/36/30/569433630.db2.gz UOKJPWVNPRRNTG-UYRXBGFRSA-N 0 0 433.982 5.327 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Br)c1 ZINC000003024678 569436234 /nfs/dbraw/zinc/43/62/34/569436234.db2.gz LNHYYKPPYUMPMJ-NSIKDUERSA-N 0 0 445.190 6.162 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccccc1 ZINC000003097596 569440134 /nfs/dbraw/zinc/44/01/34/569440134.db2.gz WUMWEBLODRTFQK-STZFKDTASA-N 0 0 437.973 6.325 50 10 IKCARN Cc1cc(C2(c3cc(C)n(-c4ccccc4)c3C)CCC(C)CC2)c(C)n1-c1ccccc1 ZINC000003169953 569441130 /nfs/dbraw/zinc/44/11/30/569441130.db2.gz SUXUPOLNFWJBQA-UHFFFAOYSA-N 0 0 436.643 7.998 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccc3ccccc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003291697 569444414 /nfs/dbraw/zinc/44/44/14/569444414.db2.gz CRBANNLSLLWJSR-UHFFFAOYSA-N 0 0 449.453 5.888 50 10 IKCARN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000003291141 569444416 /nfs/dbraw/zinc/44/44/16/569444416.db2.gz GHOMDWWIKQCAQR-UHFFFAOYSA-N 0 0 434.495 5.439 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003306191 569445234 /nfs/dbraw/zinc/44/52/34/569445234.db2.gz JJVLKRPEIMSSOT-OAHLLOKOSA-N 0 0 435.923 6.712 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccsc2)N1 ZINC000058083475 569446866 /nfs/dbraw/zinc/44/68/66/569446866.db2.gz BQIOANBRHPLXOB-UYAOXDASSA-N 0 0 447.785 6.092 50 10 IKCARN Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1-c1ccccc1F ZINC000003346217 569447120 /nfs/dbraw/zinc/44/71/20/569447120.db2.gz YJXJXHKBCYZVDN-UHFFFAOYSA-N 0 0 437.486 5.610 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3ccccc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003351315 569447345 /nfs/dbraw/zinc/44/73/45/569447345.db2.gz RWEZXOAJRHGKSR-UHFFFAOYSA-N 0 0 439.487 5.614 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3)[C@H](C)CC)ccc21 ZINC000003585120 569454465 /nfs/dbraw/zinc/45/44/65/569454465.db2.gz XQDCGDARVNHBFY-GOSISDBHSA-N 0 0 430.061 6.500 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(SC)c3)[C@@H](C)CC)ccc21 ZINC000003585181 569454477 /nfs/dbraw/zinc/45/44/77/569454477.db2.gz PVEQNLJUYRLMNL-IBGZPJMESA-N 0 0 441.710 6.569 50 10 IKCARN Cc1ccc(NC(=O)CC2(c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000003651890 569455681 /nfs/dbraw/zinc/45/56/81/569455681.db2.gz XOFFLPGAEMQPJO-UHFFFAOYSA-N 0 0 448.316 5.103 50 10 IKCARN CCOc1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741821 569456322 /nfs/dbraw/zinc/45/63/22/569456322.db2.gz ACZAYDHODZNBLN-UHFFFAOYSA-N 0 0 425.488 5.782 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000003999887 569457729 /nfs/dbraw/zinc/45/77/29/569457729.db2.gz IYFBLMBSWRSJAH-NXLRRWCWSA-N 0 0 432.608 5.441 50 10 biogenic IKCARN N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000031842129 569458134 /nfs/dbraw/zinc/45/81/34/569458134.db2.gz XYBPIFHURYQXSE-SDWZUDADSA-N 0 0 429.526 5.735 50 10 IKCARN CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008408056 569464044 /nfs/dbraw/zinc/46/40/44/569464044.db2.gz GJUDEJGBNRYVLA-UHFFFAOYSA-N 0 0 431.539 7.269 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008437490 569464358 /nfs/dbraw/zinc/46/43/58/569464358.db2.gz QNOARLUFBYUEMS-PCLIKHOPSA-N 0 0 439.515 5.127 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000008451297 569465100 /nfs/dbraw/zinc/46/51/00/569465100.db2.gz MAUGBYQSQZVUAG-CPNJWEJPSA-N 0 0 449.498 5.658 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000008723759 569471874 /nfs/dbraw/zinc/47/18/74/569471874.db2.gz LORFUDBLNHNHFT-UHFFFAOYSA-N 0 0 434.487 5.323 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000008765886 569474812 /nfs/dbraw/zinc/47/48/12/569474812.db2.gz SQIYHEIKIGLJOO-PDGQHHTCSA-N 0 0 437.417 6.245 50 10 IKCARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000008814320 569476654 /nfs/dbraw/zinc/47/66/54/569476654.db2.gz GACKBCGBQGSCSV-AOYPEHQESA-N 0 0 447.966 6.047 50 10 IKCARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000008814319 569476701 /nfs/dbraw/zinc/47/67/01/569476701.db2.gz GACKBCGBQGSCSV-AZGAKELHSA-N 0 0 447.966 6.047 50 10 IKCARN O=[N+]([O-])c1cccc([C@@H](Nc2nc3c(s2)CCCC3)c2ccc3cccnc3c2O)c1 ZINC000008815585 569476732 /nfs/dbraw/zinc/47/67/32/569476732.db2.gz WWTYYBWCJMFCHT-HXUWFJFHSA-N 0 0 432.505 5.385 50 10 IKCARN Cc1ccc(Nc2cc3c(nnn3-c3cccc(C)c3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000008818384 569477032 /nfs/dbraw/zinc/47/70/32/569477032.db2.gz RDGBMWXZTLAFGC-UHFFFAOYSA-N 0 0 444.494 5.556 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000008833878 569477893 /nfs/dbraw/zinc/47/78/93/569477893.db2.gz BFALAZAHOCVDCD-BUHHDHKDSA-N 0 0 446.956 5.265 50 10 IKCARN O=C1c2ccccc2C(=O)c2cc(OC[C@@H](O)Cn3c4ccccc4c4ccccc43)ccc21 ZINC000008837588 569478202 /nfs/dbraw/zinc/47/82/02/569478202.db2.gz IZDSLYODJHQCAB-SFHVURJKSA-N 0 0 447.490 5.010 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=N)S1 ZINC000008838179 569478235 /nfs/dbraw/zinc/47/82/35/569478235.db2.gz NRCBZMWJUMFBSC-ZKZDLDBDSA-N 0 0 445.523 5.248 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000008842985 569478505 /nfs/dbraw/zinc/47/85/05/569478505.db2.gz NHXADBBAVOJIAK-WFIHMLKPSA-N 0 0 435.954 7.551 50 10 IKCARN COc1ccc(S(=O)(=O)Nc2cc(SCc3ccco3)c(O)c3ccccc23)cc1 ZINC000008870758 569480631 /nfs/dbraw/zinc/48/06/31/569480631.db2.gz MHIMKKNHURMTHH-UHFFFAOYSA-N 0 0 441.530 5.240 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1CCc1ccccc1 ZINC000008872093 569480854 /nfs/dbraw/zinc/48/08/54/569480854.db2.gz JORNEGYIOUOTSM-XSFVSMFZSA-N 0 0 425.962 6.044 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccccc1 ZINC000008872369 569480930 /nfs/dbraw/zinc/48/09/30/569480930.db2.gz MPUMGBHXFHTMRX-WOJGMQOQSA-N 0 0 432.353 6.659 50 10 IKCARN O=[N+]([O-])c1cccc(-c2csc(N3N=C(c4ccccc4O)C[C@H]3c3ccccc3)n2)c1 ZINC000039932479 569482039 /nfs/dbraw/zinc/48/20/39/569482039.db2.gz WPVZJEKCFRWBPQ-QFIPXVFZSA-N 0 0 442.500 5.780 50 10 IKCARN CCCCOc1ccc(NCc2c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc32)cc1 ZINC000008915102 569485522 /nfs/dbraw/zinc/48/55/22/569485522.db2.gz POCSELGLXFTABY-UHFFFAOYSA-N 0 0 443.543 6.189 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1cccc(C)c1C ZINC000008916009 569485703 /nfs/dbraw/zinc/48/57/03/569485703.db2.gz UBCRPLDWWZQQPF-KGENOOAVSA-N 0 0 443.590 5.039 50 10 IKCARN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000008985040 569494748 /nfs/dbraw/zinc/49/47/48/569494748.db2.gz QBEJJAKCZVFPKS-KQWNVCNZSA-N 0 0 448.975 6.317 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc(F)c1 ZINC000008984872 569494787 /nfs/dbraw/zinc/49/47/87/569494787.db2.gz MNVVCKVENNWGFR-MTJSOVHGSA-N 0 0 439.508 5.950 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=N)S1 ZINC000009008168 569496223 /nfs/dbraw/zinc/49/62/23/569496223.db2.gz WHVFNWWSRSNBBI-WPTKKBASSA-N 0 0 438.940 5.338 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000009030390 569497032 /nfs/dbraw/zinc/49/70/32/569497032.db2.gz IOWDHUHXQVGXSR-ODLFYWEKSA-N 0 0 433.982 5.537 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000009030287 569497039 /nfs/dbraw/zinc/49/70/39/569497039.db2.gz RYTBIWUVWKDPMH-OCEACIFDSA-N 0 0 448.276 6.223 50 10 IKCARN Cc1ccc(Nc2cc3c(nnn3-c3ccccc3C)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000009065106 569499655 /nfs/dbraw/zinc/49/96/55/569499655.db2.gz QTOMMYREEILLPG-UHFFFAOYSA-N 0 0 444.494 5.556 50 10 IKCARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000009129698 569505846 /nfs/dbraw/zinc/50/58/46/569505846.db2.gz ABEQGPAHOAUDTA-MUUNZHRXSA-N 0 0 441.575 5.257 50 10 IKCARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000009129699 569505874 /nfs/dbraw/zinc/50/58/74/569505874.db2.gz ABEQGPAHOAUDTA-NDEPHWFRSA-N 0 0 441.575 5.257 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1Cl ZINC000009136198 569507123 /nfs/dbraw/zinc/50/71/23/569507123.db2.gz QRSFRNVFHXOEHP-OAWRKLJLSA-N 0 0 438.818 5.090 50 10 IKCARN CCCC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccc(Cl)cc1 ZINC000009157970 569508471 /nfs/dbraw/zinc/50/84/71/569508471.db2.gz QZYRSDCYMRPCBG-UHFFFAOYSA-N 0 0 426.903 6.962 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=N)S1 ZINC000009193129 569510805 /nfs/dbraw/zinc/51/08/05/569510805.db2.gz QZHCVWJAKJCWDZ-ONWPUYBOSA-N 0 0 449.580 5.302 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000009209667 569511570 /nfs/dbraw/zinc/51/15/70/569511570.db2.gz HSKFPLZQONRUPR-JXOFPYFMSA-N 0 0 433.581 5.493 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 ZINC000009228592 569513593 /nfs/dbraw/zinc/51/35/93/569513593.db2.gz UHYNOZCUHFPZSP-UHFFFAOYSA-N 0 0 432.749 5.832 50 10 IKCARN COc1cc(OC)c(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000009228752 569513653 /nfs/dbraw/zinc/51/36/53/569513653.db2.gz XWLJCPAWFZCTLQ-UHFFFAOYSA-N 0 0 427.932 5.395 50 10 IKCARN CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000009234776 569514012 /nfs/dbraw/zinc/51/40/12/569514012.db2.gz MACIXIUGBSDKLL-GSDHBNRESA-N 0 0 433.507 5.017 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000009281169 569518530 /nfs/dbraw/zinc/51/85/30/569518530.db2.gz PQVRARDUERDCHX-ODJOWLHGSA-N 0 0 439.972 5.557 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=N)S1 ZINC000009282665 569518686 /nfs/dbraw/zinc/51/86/86/569518686.db2.gz PEUGUMLZMKVOCI-PWEWXPAOSA-N 0 0 446.363 5.430 50 10 IKCARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000009283265 569518825 /nfs/dbraw/zinc/51/88/25/569518825.db2.gz LNXFJTXXVLQXKQ-UHFFFAOYSA-N 0 0 441.409 5.425 50 10 IKCARN Cc1ccc2nc(-c3ccc(Br)o3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000009289127 569519521 /nfs/dbraw/zinc/51/95/21/569519521.db2.gz NJIRHUUWPDPJQH-UHFFFAOYSA-N 0 0 426.270 5.180 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=N)S1 ZINC000009291845 569519864 /nfs/dbraw/zinc/51/98/64/569519864.db2.gz STFPPAVSTFAPFT-GNMKNICSSA-N 0 0 433.581 5.520 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000009293270 569520123 /nfs/dbraw/zinc/52/01/23/569520123.db2.gz FXWYVWZXQBALBL-RDJYZGLESA-N 0 0 445.592 5.602 50 10 IKCARN Cc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000009296081 569520435 /nfs/dbraw/zinc/52/04/35/569520435.db2.gz NEOZWYJXFJHYJO-JCMHNJIXSA-N 0 0 433.602 5.323 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000009296541 569520463 /nfs/dbraw/zinc/52/04/63/569520463.db2.gz KHUNKFHVMMRFLO-CSUZIONRSA-N 0 0 447.581 6.241 50 10 IKCARN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccc(Cl)cc1 ZINC000009296738 569520516 /nfs/dbraw/zinc/52/05/16/569520516.db2.gz ISOJALHPPRBTHR-HYARGMPZSA-N 0 0 431.969 7.052 50 10 IKCARN O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009296594 569520536 /nfs/dbraw/zinc/52/05/36/569520536.db2.gz KNVWQPGYXKTCNN-PJQLUOCWSA-N 0 0 443.855 5.493 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000009309623 569521630 /nfs/dbraw/zinc/52/16/30/569521630.db2.gz WUOPCOWHELYFCD-SOPDNMILSA-N 0 0 425.945 5.167 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=N)S1 ZINC000009309721 569521633 /nfs/dbraw/zinc/52/16/33/569521633.db2.gz WMYYOUKZCMGHBI-AMWUQPRHSA-N 0 0 437.594 5.041 50 10 IKCARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009310325 569521695 /nfs/dbraw/zinc/52/16/95/569521695.db2.gz LCCOTZRGEBYIAU-JMIUGGIZSA-N 0 0 440.355 5.171 50 10 IKCARN Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009310216 569521707 /nfs/dbraw/zinc/52/17/07/569521707.db2.gz HQSKSVJGEHEICZ-VWLOTQADSA-N 0 0 428.605 5.287 50 10 IKCARN Cc1ccc(Nc2cc3c(nnn3-c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000009334070 569523221 /nfs/dbraw/zinc/52/32/21/569523221.db2.gz HVYRWCSBPNTICT-UHFFFAOYSA-N 0 0 444.494 5.556 50 10 IKCARN CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1 ZINC000009355034 569525141 /nfs/dbraw/zinc/52/51/41/569525141.db2.gz BKBCOXFHJCAMDZ-PXLXIMEGSA-N 0 0 429.486 6.138 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000009365874 569526192 /nfs/dbraw/zinc/52/61/92/569526192.db2.gz SICBMLUXMNAFME-UHFFFAOYSA-N 0 0 434.487 5.323 50 10 IKCARN O=C(NCc1cccc(Cl)c1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406118 569529981 /nfs/dbraw/zinc/52/99/81/569529981.db2.gz YLYCMIYTFBYQCW-UHFFFAOYSA-N 0 0 440.974 6.607 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 ZINC000009406186 569530023 /nfs/dbraw/zinc/53/00/23/569530023.db2.gz RGENARRKDUNAPA-HXUWFJFHSA-N 0 0 438.546 6.338 50 10 IKCARN CCCc1cc(=O)oc2c(C)c(O)c(CNc3ccc(OCc4ccccc4)cc3)cc12 ZINC000009410741 569531378 /nfs/dbraw/zinc/53/13/78/569531378.db2.gz TVGCATFPXLVMJA-UHFFFAOYSA-N 0 0 429.516 5.951 50 10 IKCARN COc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(Br)c1O ZINC000009434558 569534771 /nfs/dbraw/zinc/53/47/71/569534771.db2.gz SCDQZZALPCKFNH-YBFXNURJSA-N 0 0 449.300 5.812 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1 ZINC000009456800 569536724 /nfs/dbraw/zinc/53/67/24/569536724.db2.gz HMZIREAXIRDXHK-DRAMHWHOSA-N 0 0 437.544 5.289 50 10 IKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 ZINC000009461841 569537186 /nfs/dbraw/zinc/53/71/86/569537186.db2.gz OLEHWXZJKQWQPP-GRSHGNNSSA-N 0 0 433.982 5.852 50 10 IKCARN CCn1c(S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccncc1 ZINC000009469208 569538750 /nfs/dbraw/zinc/53/87/50/569538750.db2.gz GAMXGICPYWEFOH-GOSISDBHSA-N 0 0 431.565 5.131 50 10 IKCARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000009469944 569538848 /nfs/dbraw/zinc/53/88/48/569538848.db2.gz JYYYADJDGHZCRX-UHFFFAOYSA-N 0 0 425.847 5.198 50 10 IKCARN CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCc3ccccc32)cc1 ZINC000009526958 569544575 /nfs/dbraw/zinc/54/45/75/569544575.db2.gz OFBHWGVCNPIVNA-HSZRJFAPSA-N 0 0 437.946 5.079 50 10 IKCARN CCc1ccc(C2=N[C@](C)(CC(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000009542111 569545887 /nfs/dbraw/zinc/54/58/87/569545887.db2.gz ZSAPBFNUIQHESP-GGAORHGYSA-N 0 0 429.402 6.003 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000009542855 569545894 /nfs/dbraw/zinc/54/58/94/569545894.db2.gz PGMFATWYWNNVNE-FYYLOGMGSA-N 0 0 439.328 5.825 50 10 IKCARN Cc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000009553902 569546781 /nfs/dbraw/zinc/54/67/81/569546781.db2.gz SZCFNHQBGJQJES-UHFFFAOYSA-N 0 0 432.479 5.766 50 10 IKCARN Cc1ccc(C(C)C)c(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1 ZINC000009554233 569546806 /nfs/dbraw/zinc/54/68/06/569546806.db2.gz MAVHSDMBBHRRHE-XKZIYDEJSA-N 0 0 436.602 5.641 50 10 IKCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000009554225 569546812 /nfs/dbraw/zinc/54/68/12/569546812.db2.gz JDKVAYMLGUYPIM-YDZHTSKRSA-N 0 0 431.511 5.251 50 10 IKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009572280 569547755 /nfs/dbraw/zinc/54/77/55/569547755.db2.gz IWWUVYIBNKGNRS-UHFFFAOYSA-N 0 0 441.862 5.370 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000009589599 569549977 /nfs/dbraw/zinc/54/99/77/569549977.db2.gz WKKFKLXMLJVJIL-UHFFFAOYSA-N 0 0 426.303 6.120 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)c1 ZINC000009597237 569550899 /nfs/dbraw/zinc/55/08/99/569550899.db2.gz QZXLWERSGYMXMQ-DENIHFKCSA-N 0 0 436.309 5.100 50 10 IKCARN CC1(C)Cc2c(cc(-c3ccc(Cl)cc3)n2-c2ccc(Oc3ccccc3)cc2)C(=O)C1 ZINC000009610918 569552694 /nfs/dbraw/zinc/55/26/94/569552694.db2.gz UZSSJKOQJQFKRH-UHFFFAOYSA-N 0 0 441.958 7.745 50 10 IKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(F)c(Cl)c2)C(=O)C1 ZINC000009610926 569552712 /nfs/dbraw/zinc/55/27/12/569552712.db2.gz VWKYWVHLKXUUPA-UHFFFAOYSA-N 0 0 446.747 6.854 50 10 IKCARN Cc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000009679298 569559908 /nfs/dbraw/zinc/55/99/08/569559908.db2.gz WQRSAFBAWFYWDK-QJOMJCCJSA-N 0 0 447.581 5.859 50 10 IKCARN CC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4cccc5ccccc54)c4ccccc34)C2=N)S1 ZINC000009680434 569560078 /nfs/dbraw/zinc/56/00/78/569560078.db2.gz SGANMHOFROEARM-WOZVDNMVSA-N 0 0 449.539 5.482 50 10 IKCARN CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)o2)cc1 ZINC000009716716 569563198 /nfs/dbraw/zinc/56/31/98/569563198.db2.gz WIEMESLDSBPTHD-DEOSSOPVSA-N 0 0 446.547 5.037 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000009763604 569566614 /nfs/dbraw/zinc/56/66/14/569566614.db2.gz HDILAOFDMAEPHF-MDOVXXIYSA-N 0 0 445.313 5.509 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000009763602 569566642 /nfs/dbraw/zinc/56/66/42/569566642.db2.gz HDILAOFDMAEPHF-AVYPCKFXSA-N 0 0 445.313 5.509 50 10 IKCARN O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000009805355 569568693 /nfs/dbraw/zinc/56/86/93/569568693.db2.gz YCMKNCZTXTUJCG-QJOMJCCJSA-N 0 0 447.581 5.546 50 10 IKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000009804739 569568720 /nfs/dbraw/zinc/56/87/20/569568720.db2.gz LDCHGWAVJJMAPB-BIENJYKASA-N 0 0 435.159 6.047 50 10 IKCARN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1Cc1ccco1 ZINC000009849536 569571291 /nfs/dbraw/zinc/57/12/91/569571291.db2.gz BDJKBZVPSGBETF-QNGOZBTKSA-N 0 0 437.542 5.139 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000009971780 569576343 /nfs/dbraw/zinc/57/63/43/569576343.db2.gz VFQGMSDMQUARJT-CRRKTRLDSA-N 0 0 425.604 5.601 50 10 IKCARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc1OC ZINC000009982132 569576534 /nfs/dbraw/zinc/57/65/34/569576534.db2.gz ACFMGYOSEIFWKQ-UHFFFAOYSA-N 0 0 449.532 5.136 50 10 IKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1 ZINC000010215366 569579208 /nfs/dbraw/zinc/57/92/08/569579208.db2.gz LDXBECMGKIJQKC-JXFKEZNVSA-N 0 0 445.700 5.643 50 10 IKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1 ZINC000010215361 569579215 /nfs/dbraw/zinc/57/92/15/569579215.db2.gz LDXBECMGKIJQKC-OXJNMPFZSA-N 0 0 445.700 5.643 50 10 IKCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1 ZINC000010215254 569579254 /nfs/dbraw/zinc/57/92/54/569579254.db2.gz GORQYQJYNCVMMB-YLJYHZDGSA-N 0 0 427.323 5.459 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n32)c(C)n1-c1cc(F)ccc1F ZINC000000630390 193863388 /nfs/dbraw/zinc/86/33/88/193863388.db2.gz FYOFFRVREINDJZ-UHFFFAOYSA-N 0 0 448.498 5.543 50 10 IKCARN CCn1cc(Cl)c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)n1 ZINC000000654049 193873756 /nfs/dbraw/zinc/87/37/56/193873756.db2.gz VFCFBVVKGKWBBH-QFIPXVFZSA-N 0 0 444.922 5.407 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363264 193927603 /nfs/dbraw/zinc/92/76/03/193927603.db2.gz KDBKOIIDRVUBRI-XXBNENTESA-N 0 0 441.314 5.650 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053364160 193928034 /nfs/dbraw/zinc/92/80/34/193928034.db2.gz WDFGHHHKGNIZRS-JYFHCDHNSA-N 0 0 432.520 5.031 50 10 IKCARN Cc1ccc(C=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)s1 ZINC000000677838 132229251 /nfs/dbraw/zinc/22/92/51/132229251.db2.gz INIXPTUFINUMRR-UHFFFAOYSA-N 0 0 432.570 5.422 50 10 IKCARN Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC000009368721 132231357 /nfs/dbraw/zinc/23/13/57/132231357.db2.gz FXLMEKAQHVBQPB-UHFFFAOYSA-N 0 0 441.394 5.515 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N(C)C2=S)cc1 ZINC000001152198 132237673 /nfs/dbraw/zinc/23/76/73/132237673.db2.gz DOCAMSRXULBVJK-CPNJWEJPSA-N 0 0 436.920 5.082 50 10 IKCARN O=C1C(=Cc2cccc(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000001513840 132245860 /nfs/dbraw/zinc/24/58/60/132245860.db2.gz ZRRPIVSNIHYNMV-UHFFFAOYSA-N 0 0 447.288 5.033 50 10 IKCARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2CC(=O)Oc1ccccc1 ZINC000002080851 132247928 /nfs/dbraw/zinc/24/79/28/132247928.db2.gz XTAOFQIODJXCLI-UHFFFAOYSA-N 0 0 429.588 5.875 50 10 IKCARN COc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002304832 132251604 /nfs/dbraw/zinc/25/16/04/132251604.db2.gz ILNHINHSHYTKDZ-INIZCTEOSA-N 0 0 439.515 6.028 50 10 IKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccc(Cl)cc1 ZINC000002309854 132251840 /nfs/dbraw/zinc/25/18/40/132251840.db2.gz IWENOSXOJHQCHT-JWGURIENSA-N 0 0 433.964 5.286 50 10 IKCARN CCOc1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002457260 132254513 /nfs/dbraw/zinc/25/45/13/132254513.db2.gz KDUDICIVPMCIQL-UHFFFAOYSA-N 0 0 441.487 5.018 50 10 IKCARN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002794845 132257131 /nfs/dbraw/zinc/25/71/31/132257131.db2.gz FHRIBSSBGKRIOY-OVCLIPMQSA-N 0 0 432.951 5.281 50 10 IKCARN COc1cccc(/C=C/C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1OC ZINC000003648825 132266899 /nfs/dbraw/zinc/26/68/99/132266899.db2.gz RLBOANYLNSXPKA-JLHYYAGUSA-N 0 0 431.536 5.203 50 10 IKCARN COc1cccc(Nc2cc(N3CCCC[C@@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003665782 132267343 /nfs/dbraw/zinc/26/73/43/132267343.db2.gz APHBENXXUKDELZ-INIZCTEOSA-N 0 0 439.515 6.170 50 10 IKCARN C[C@H]1C[C@H](C)CN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741889 132267928 /nfs/dbraw/zinc/26/79/28/132267928.db2.gz VNLJSJMRJVCYMT-HOTGVXAUSA-N 0 0 441.506 6.404 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000006089560 132275927 /nfs/dbraw/zinc/27/59/27/132275927.db2.gz FDLIDSSHLDAKTN-KRKXHZOKSA-N 0 0 431.963 6.411 50 10 IKCARN Clc1cccc([C@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1Cl ZINC000006475254 132277352 /nfs/dbraw/zinc/27/73/52/132277352.db2.gz OOLWDDHOESJTDM-NEMLAXLQSA-N 0 0 444.405 8.041 50 10 IKCARN CC1CCN(c2cc(N3C[C@H](C)C[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006738004 132278386 /nfs/dbraw/zinc/27/83/86/132278386.db2.gz XMLHCBHUMNHKLO-QZTJIDSGSA-N 0 0 429.564 5.758 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000008425961 132281728 /nfs/dbraw/zinc/28/17/28/132281728.db2.gz FDLIDSSHLDAKTN-BVMUCEKZSA-N 0 0 431.963 6.411 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 ZINC000008456402 132282372 /nfs/dbraw/zinc/28/23/72/132282372.db2.gz GCMLMVCXNLXJOT-BVMUCEKZSA-N 0 0 427.504 5.448 50 10 IKCARN CCc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc54)CC3)=NC2=O)cc1 ZINC000009293249 132312895 /nfs/dbraw/zinc/31/28/95/132312895.db2.gz WJPVMENBCJXXQF-MOHJPFBDSA-N 0 0 427.573 5.195 50 10 IKCARN Cc1cc(C)c(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1 ZINC000009612332 132323549 /nfs/dbraw/zinc/32/35/49/132323549.db2.gz SDVSJPSUXDLPFY-UHFFFAOYSA-N 0 0 439.515 5.545 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612323 132323551 /nfs/dbraw/zinc/32/35/51/132323551.db2.gz GETYVTCLHBTPDM-KRWDZBQOSA-N 0 0 437.543 6.636 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(c2cc(NCc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641919 132324508 /nfs/dbraw/zinc/32/45/08/132324508.db2.gz WMCZDYANYURHCT-QZTJIDSGSA-N 0 0 437.543 6.134 50 10 IKCARN Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000010037402 132334134 /nfs/dbraw/zinc/33/41/34/132334134.db2.gz ZPCWCTQGFUOXBM-UHFFFAOYSA-N 0 0 433.552 5.133 50 10 IKCARN Cc1cc(/C=C2/c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000013134330 132345694 /nfs/dbraw/zinc/34/56/94/132345694.db2.gz JLWRNFTVVUDBFK-VEILYXNESA-N 0 0 446.550 6.439 50 10 IKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C/c1ccc(Cl)cc1 ZINC000013532643 132349272 /nfs/dbraw/zinc/34/92/72/132349272.db2.gz IWENOSXOJHQCHT-CJLVFECKSA-N 0 0 433.964 5.286 50 10 IKCARN CC(C)(C)c1ccc(Oc2cc(N3CCCCC3)cc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012381739 519042025 /nfs/dbraw/zinc/04/20/25/519042025.db2.gz YEVOKOZRXYGYDR-UHFFFAOYSA-N 0 0 439.555 6.542 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000012382180 519631748 /nfs/dbraw/zinc/63/17/48/519631748.db2.gz XBICYZOKFMIICQ-IGKANNHESA-N 0 0 432.549 5.492 50 10 IKCARN CC(=O)Nc1c(C)cc(C)c(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C ZINC000012589225 519701716 /nfs/dbraw/zinc/70/17/16/519701716.db2.gz YEFOHVIPIYHHDB-UHFFFAOYSA-N 0 0 432.520 5.018 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OCC)c3)C2=N)S1 ZINC000033541565 519894677 /nfs/dbraw/zinc/89/46/77/519894677.db2.gz VRPRMNSCIAVPIC-RIHJCCTQSA-N 0 0 448.548 5.084 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000041082876 519917494 /nfs/dbraw/zinc/91/74/94/519917494.db2.gz PQVRARDUERDCHX-FZAWDKCWSA-N 0 0 439.972 5.557 50 10 IKCARN CCCCCCc1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012285380 520136294 /nfs/dbraw/zinc/13/62/94/520136294.db2.gz FRNDHIQOOMNWHN-UHFFFAOYSA-N 0 0 445.946 6.491 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000012580408 520897668 /nfs/dbraw/zinc/89/76/68/520897668.db2.gz SHFHRVVPJXQWDK-PGMHBOJBSA-N 0 0 441.556 5.685 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000016031572 520924225 /nfs/dbraw/zinc/92/42/25/520924225.db2.gz CDRPREWFAAIKMU-SCTDOJESSA-N 0 0 436.596 5.050 50 10 biogenic IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763709 521415868 /nfs/dbraw/zinc/41/58/68/521415868.db2.gz ZBJSDUUUERLDGD-WIOPSUGQSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000020764672 521416740 /nfs/dbraw/zinc/41/67/40/521416740.db2.gz HLBANRFJKYOHAE-OZXSUGGESA-N 0 0 444.531 5.108 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3cc(OC)ccc3OC)N2)c1O ZINC000020764704 521416753 /nfs/dbraw/zinc/41/67/53/521416753.db2.gz MUTMHSFGWNMAMP-HOFKKMOUSA-N 0 0 446.547 5.339 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000033334208 522866777 /nfs/dbraw/zinc/86/67/77/522866777.db2.gz GBBIIJPCPBJTPN-PCLIKHOPSA-N 0 0 440.543 5.275 50 10 IKCARN CCn1c(-c2ccc(Br)cc2)cnc1SCc1cc(F)cc2c1OCOC2 ZINC000012520231 523079759 /nfs/dbraw/zinc/07/97/59/523079759.db2.gz GZVVJHPIJNGBOE-UHFFFAOYSA-N 0 0 449.345 5.630 50 10 IKCARN COc1ccc(-c2cc(-c3ccccc3)nc3c2CCC/C3=C/c2ccc(N(C)C)cc2)cc1 ZINC000012560476 523085585 /nfs/dbraw/zinc/08/55/85/523085585.db2.gz UKFOJVBTRQEULU-QQTULTPQSA-N 0 0 446.594 7.367 50 10 IKCARN COc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](C)C3)n2-c2ccc(SC)cc2)cc1 ZINC000023428209 523132710 /nfs/dbraw/zinc/13/27/10/523132710.db2.gz CUANYLFQIFLVTJ-HXUWFJFHSA-N 0 0 448.632 6.066 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000016192757 523429302 /nfs/dbraw/zinc/42/93/02/523429302.db2.gz WTXYEFBSRWUPIZ-PXNMLYILSA-N 0 0 426.346 5.416 50 10 IKCARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000018173667 523430097 /nfs/dbraw/zinc/43/00/97/523430097.db2.gz ZIBHOTSXINAVRX-APSNUPSMSA-N 0 0 426.346 5.070 50 10 IKCARN COc1ccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000020755888 523736030 /nfs/dbraw/zinc/73/60/30/523736030.db2.gz BONUUJAVGIBKMT-JOCHJYFZSA-N 0 0 448.906 5.130 50 10 biogenic IKCARN COc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000020755911 523736557 /nfs/dbraw/zinc/73/65/57/523736557.db2.gz PUSIUWDEWAXQNL-JOCHJYFZSA-N 0 0 448.906 5.130 50 10 biogenic IKCARN CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000022170934 523874004 /nfs/dbraw/zinc/87/40/04/523874004.db2.gz HGPXXCMTBJIGJD-PXLXIMEGSA-N 0 0 446.597 5.632 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/C=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000023410719 524382183 /nfs/dbraw/zinc/38/21/83/524382183.db2.gz WKGZDBQWSZPKGV-FKJKDRHESA-N 0 0 432.364 5.420 50 10 IKCARN COc1ccc(N2CCN(C(=O)c3cc4ccsc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000035843832 524419312 /nfs/dbraw/zinc/41/93/12/524419312.db2.gz ANCHXTLXEPDHCF-UHFFFAOYSA-N 0 0 445.588 5.031 50 10 IKCARN COc1ccc(N2CCN(C(=O)c3ccc(CSc4ccc(C)cc4)cc3)CC2)cc1 ZINC000001064089 524419714 /nfs/dbraw/zinc/41/97/14/524419714.db2.gz ABBRAVWRWAGWPQ-UHFFFAOYSA-N 0 0 432.589 5.258 50 10 IKCARN C[C@@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)c1ccccc1 ZINC000020902515 524713430 /nfs/dbraw/zinc/71/34/30/524713430.db2.gz CGICKJKVVHGHKJ-QHCPKHFHSA-N 0 0 448.610 6.947 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3OC(F)F)SC2=S)cc1 ZINC000012619856 524917945 /nfs/dbraw/zinc/91/79/45/524917945.db2.gz KNBOSRBWPZSCTP-OVCLIPMQSA-N 0 0 443.443 5.604 50 10 IKCARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000015412345 524921091 /nfs/dbraw/zinc/92/10/91/524921091.db2.gz ZVWWSTAUWNNNTH-HHHXNRCGSA-N 0 0 441.575 5.107 50 10 IKCARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)o1 ZINC000012563746 525015381 /nfs/dbraw/zinc/01/53/81/525015381.db2.gz WPQMJXZUHNULDS-UHFFFAOYSA-N 0 0 426.520 5.050 50 10 IKCARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 ZINC000021891734 525252187 /nfs/dbraw/zinc/25/21/87/525252187.db2.gz GFQBOWNSPGWCJD-HHHXNRCGSA-N 0 0 436.559 5.989 50 10 IKCARN Cc1ccc(OCc2ccccc2F)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000022497118 525444589 /nfs/dbraw/zinc/44/45/89/525444589.db2.gz VDCMQHQVGGZKOM-MTJSOVHGSA-N 0 0 439.533 5.708 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1[nH]cnc1C ZINC000012246431 525568992 /nfs/dbraw/zinc/56/89/92/525568992.db2.gz SOOZCPZAOAZZKV-NRFANRHFSA-N 0 0 443.956 5.353 50 10 IKCARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(N(C)C)cc4)n3)o2)cc1 ZINC000035560928 525842753 /nfs/dbraw/zinc/84/27/53/525842753.db2.gz ZWLMUFDBRDCYPG-UHFFFAOYSA-N 0 0 436.519 5.333 50 10 IKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000022298747 526067099 /nfs/dbraw/zinc/06/70/99/526067099.db2.gz DJRXFNUMSGYNEN-PDGQHHTCSA-N 0 0 441.365 5.512 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000041108132 526082240 /nfs/dbraw/zinc/08/22/40/526082240.db2.gz NUJQDXXDECVOPX-HZWMVPBHSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000012515128 526082802 /nfs/dbraw/zinc/08/28/02/526082802.db2.gz ROLADOHOUVAESJ-NEAWXCLQSA-N 0 0 438.556 5.707 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000041083251 526083335 /nfs/dbraw/zinc/08/33/35/526083335.db2.gz KSVWOSKYXYGMFV-ZDOQCZMASA-N 0 0 439.972 5.331 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000021281179 526213813 /nfs/dbraw/zinc/21/38/13/526213813.db2.gz NBIFATBQNCMEEK-UHFFFAOYSA-N 0 0 445.903 5.813 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(OC)cc3)[C@H](C)CC)ccc21 ZINC000003585628 534915275 /nfs/dbraw/zinc/91/52/75/534915275.db2.gz UPDPCQAKXGLACZ-LJQANCHMSA-N 0 0 425.642 5.855 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(Cl)c3C)ccc21 ZINC000003057243 534915530 /nfs/dbraw/zinc/91/55/30/534915530.db2.gz UOQOJCFJKHDUOR-UHFFFAOYSA-N 0 0 446.060 5.656 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(Cl)c3)ccc21 ZINC000003057228 534915885 /nfs/dbraw/zinc/91/58/85/534915885.db2.gz REUIEEOOYXWIBO-UHFFFAOYSA-N 0 0 432.033 5.348 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccccc2Cl)N1 ZINC000020763534 526346087 /nfs/dbraw/zinc/34/60/87/526346087.db2.gz JASVRWHNSBCFKZ-WMZHIEFXSA-N 0 0 441.314 5.650 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccccc2Cl)N1 ZINC000020763543 526347260 /nfs/dbraw/zinc/34/72/60/526347260.db2.gz JASVRWHNSBCFKZ-CVDCTZTESA-N 0 0 441.314 5.650 50 10 IKCARN O=C(OCc1cccc2ccccc21)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000012596416 526425656 /nfs/dbraw/zinc/42/56/56/526425656.db2.gz VDTDOZLJQICMFU-UHFFFAOYSA-N 0 0 426.855 5.626 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1 ZINC000001268070 526431657 /nfs/dbraw/zinc/43/16/57/526431657.db2.gz OPTZOWRHQAFATR-LWZSUBOQSA-N 0 0 442.993 5.516 50 10 IKCARN O=C(NCc1ccco1)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114826 526778364 /nfs/dbraw/zinc/77/83/64/526778364.db2.gz CSOUYQSQLBYMSH-UHFFFAOYSA-N 0 0 428.507 6.075 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000016383942 526940065 /nfs/dbraw/zinc/94/00/65/526940065.db2.gz UAELGJJBEYXOAV-BOPFTXTBSA-N 0 0 438.401 6.787 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1 ZINC000016477953 526940590 /nfs/dbraw/zinc/94/05/90/526940590.db2.gz SRJNABXHVUEJEV-HEHNFIMWSA-N 0 0 434.451 6.326 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000016183176 526944592 /nfs/dbraw/zinc/94/45/92/526944592.db2.gz GQTWKJQJEDHWNW-ATVHPVEESA-N 0 0 427.338 5.203 50 10 IKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017144366 527017222 /nfs/dbraw/zinc/01/72/22/527017222.db2.gz UBENISYBIXPQLA-UHFFFAOYSA-N 0 0 425.863 5.490 50 10 IKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012629334 527017682 /nfs/dbraw/zinc/01/76/82/527017682.db2.gz FUHDXRHLZMCVDW-GOSISDBHSA-N 0 0 448.617 5.195 50 10 IKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000022267975 527017775 /nfs/dbraw/zinc/01/77/75/527017775.db2.gz LPXGUVPKUNZJAX-UHFFFAOYSA-N 0 0 442.544 5.070 50 10 IKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1cccs1 ZINC000035376164 527045295 /nfs/dbraw/zinc/04/52/95/527045295.db2.gz UFIKSCMEOFNNCY-PYCFMQQDSA-N 0 0 445.613 5.126 50 10 IKCARN O=C1NC(=S)S/C1=C\C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 ZINC000002157383 527057695 /nfs/dbraw/zinc/05/76/95/527057695.db2.gz SRJBWPHRVUAJIX-PHCAOYFPSA-N 0 0 427.550 5.654 50 10 IKCARN O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000016050862 527090672 /nfs/dbraw/zinc/09/06/72/527090672.db2.gz IUICZBJZADMRCZ-CIAFOILYSA-N 0 0 429.317 5.945 50 10 IKCARN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000012618734 527132174 /nfs/dbraw/zinc/13/21/74/527132174.db2.gz RFWVCBCFHPJAQZ-UHFFFAOYSA-N 0 0 440.680 5.130 50 10 IKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1I ZINC000012403732 527154283 /nfs/dbraw/zinc/15/42/83/527154283.db2.gz RFIJHYZGLWNVAX-GHVJWSGMSA-N 0 0 427.245 5.959 50 10 IKCARN O=C(Nc1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902483 527181472 /nfs/dbraw/zinc/18/14/72/527181472.db2.gz ZJLZAQZIOIPLDD-UHFFFAOYSA-N 0 0 440.974 7.319 50 10 IKCARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000022146468 527262412 /nfs/dbraw/zinc/26/24/12/527262412.db2.gz XKVSHNLQIOZNHH-PQNGQFLHSA-N 0 0 445.906 6.327 50 10 IKCARN COc1ccc(N2CCN(C(=O)c3sc4ccc5ccccc5c4c3Cl)CC2)cc1 ZINC000001393751 536690978 /nfs/dbraw/zinc/69/09/78/536690978.db2.gz MNYNMHFSOYQOQK-UHFFFAOYSA-N 0 0 436.964 5.679 50 10 IKCARN Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1 ZINC000000639322 555517876 /nfs/dbraw/zinc/51/78/76/555517876.db2.gz UTDAGHZGKXPRQI-UHFFFAOYSA-N 0 0 432.501 5.268 50 10 IKCARN COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000000679197 555536548 /nfs/dbraw/zinc/53/65/48/555536548.db2.gz PUKUJUFWGHYWKU-UHFFFAOYSA-N 0 0 432.289 5.494 50 10 IKCARN COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F ZINC000000679198 555536617 /nfs/dbraw/zinc/53/66/17/555536617.db2.gz NIDULHMLERISFI-UHFFFAOYSA-N 0 0 432.289 5.494 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@H](C)C3)c1 ZINC000000729122 555552332 /nfs/dbraw/zinc/55/23/32/555552332.db2.gz VJMYPPSMLXGSJF-AWEZNQCLSA-N 0 0 442.606 5.816 50 10 IKCARN O=C(CCc1ccccc1)N[C@@H](c1ccc2c(c1)OCO2)c1c(O)ccc2ccccc21 ZINC000000801043 555559380 /nfs/dbraw/zinc/55/93/80/555559380.db2.gz BWXIBDZNZFVSNI-MHZLTWQESA-N 0 0 425.484 5.113 50 10 IKCARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000000882759 555578172 /nfs/dbraw/zinc/57/81/72/555578172.db2.gz QKLJOMVGXYKRKK-UHFFFAOYSA-N 0 0 446.410 5.141 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccncc2)C[C@H](C)CC3)c1 ZINC000000920904 555584685 /nfs/dbraw/zinc/58/46/85/555584685.db2.gz NMIYVWQXIVTRSS-OAHLLOKOSA-N 0 0 437.565 5.150 50 10 IKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21 ZINC000000944289 555587533 /nfs/dbraw/zinc/58/75/33/555587533.db2.gz GHOHWHCXCLPJEI-UHFFFAOYSA-N 0 0 432.225 5.553 50 10 IKCARN C[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)c2ccccc2C1=O ZINC000000991754 555596551 /nfs/dbraw/zinc/59/65/51/555596551.db2.gz BQLQFYCPEIZLHS-KRWDZBQOSA-N 0 0 436.467 5.255 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 ZINC000001019240 555603008 /nfs/dbraw/zinc/60/30/08/555603008.db2.gz JYWBBHQMIZZTQG-STSQHVNTSA-N 0 0 427.375 6.446 50 10 IKCARN Cc1ccc(C)n1-c1ccc(C2N=NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000001043394 555610274 /nfs/dbraw/zinc/61/02/74/555610274.db2.gz BBPFSFDEEBIQRA-UHFFFAOYSA-N 0 0 425.355 5.393 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1COC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000001048977 555612071 /nfs/dbraw/zinc/61/20/71/555612071.db2.gz KLIUZITWTMXPSB-UHFFFAOYSA-N 0 0 444.915 6.269 50 10 IKCARN CCN(CC)c1ccc([C@H]2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000001063318 555617063 /nfs/dbraw/zinc/61/70/63/555617063.db2.gz PCRAIZZSKAOEGE-SANMLTNESA-N 0 0 441.575 5.138 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccco1 ZINC000001101069 555628659 /nfs/dbraw/zinc/62/86/59/555628659.db2.gz QDXBMTYDNMTSDP-NDENLUEZSA-N 0 0 425.506 5.399 50 10 IKCARN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001106424 555629657 /nfs/dbraw/zinc/62/96/57/555629657.db2.gz JCWQZBYOEMZFPK-PDGQHHTCSA-N 0 0 431.875 5.549 50 10 IKCARN COc1ccccc1N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000001112309 555632402 /nfs/dbraw/zinc/63/24/02/555632402.db2.gz SUGLSXKFEQMGQN-BKUYFWCQSA-N 0 0 449.488 5.252 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000001136097 555647115 /nfs/dbraw/zinc/64/71/15/555647115.db2.gz ZXOVKVFOSODJLQ-UNOMPAQXSA-N 0 0 438.486 5.269 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)o2)cc1Cl ZINC000001160243 555661374 /nfs/dbraw/zinc/66/13/74/555661374.db2.gz TWYNFMULUCAPFS-NDENLUEZSA-N 0 0 441.961 6.323 50 10 IKCARN CN1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S ZINC000001160317 555661543 /nfs/dbraw/zinc/66/15/43/555661543.db2.gz JUWVTBUGTPBOJG-NVNXTCNLSA-N 0 0 440.424 5.237 50 10 IKCARN COc1ccc2c3ccc(OCc4ccc(Br)cc4)c(C)c3oc(=O)c2c1 ZINC000001164969 555663534 /nfs/dbraw/zinc/66/35/34/555663534.db2.gz DZGBYJZUMDIXBM-UHFFFAOYSA-N 0 0 425.278 5.605 50 10 IKCARN Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000001164265 555663584 /nfs/dbraw/zinc/66/35/84/555663584.db2.gz WWUIOVVLWLUYKE-NDENLUEZSA-N 0 0 436.514 5.565 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000001180067 555671420 /nfs/dbraw/zinc/67/14/20/555671420.db2.gz QJIVTILTQDXALV-QGOAFFKASA-N 0 0 430.982 5.269 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(F)c1 ZINC000001182873 555672816 /nfs/dbraw/zinc/67/28/16/555672816.db2.gz LNOMMIXEZYCDCY-BOPFTXTBSA-N 0 0 434.945 5.099 50 10 IKCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001182829 555672829 /nfs/dbraw/zinc/67/28/29/555672829.db2.gz MYTXWHWPCPVQBJ-LICLKQGHSA-N 0 0 434.945 5.018 50 10 IKCARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1C ZINC000001183059 555672857 /nfs/dbraw/zinc/67/28/57/555672857.db2.gz WDLCZFYPFCEWMY-PDGQHHTCSA-N 0 0 430.982 5.187 50 10 IKCARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1C ZINC000001186836 555674696 /nfs/dbraw/zinc/67/46/96/555674696.db2.gz UTNDAYYREIFMIL-PDGQHHTCSA-N 0 0 430.982 5.187 50 10 IKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001206696 555680650 /nfs/dbraw/zinc/68/06/50/555680650.db2.gz MBXFZQVJSJEHLQ-SDNWHVSQSA-N 0 0 438.233 5.599 50 10 IKCARN COc1cc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc(OC)c1OC ZINC000001306969 555689691 /nfs/dbraw/zinc/68/96/91/555689691.db2.gz BZNDRAQWDSCDCL-DHDCSXOGSA-N 0 0 439.320 5.102 50 10 IKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1Cl ZINC000001747710 555712083 /nfs/dbraw/zinc/71/20/83/555712083.db2.gz PZCDEBPCTKJHHP-UHFFFAOYSA-N 0 0 437.845 5.824 50 10 biogenic IKCARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001774160 555713987 /nfs/dbraw/zinc/71/39/87/555713987.db2.gz AEPCPXAUKUITPN-UHFFFAOYSA-N 0 0 431.797 5.677 50 10 IKCARN CCCC[N@H+](C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000001782080 555714629 /nfs/dbraw/zinc/71/46/29/555714629.db2.gz OGSACWKOXLQKCZ-UHFFFAOYSA-N 0 0 435.442 5.425 50 10 biogenic IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[NH+]3CCCCCC3)c2oc1C(F)(F)F ZINC000001780031 555714646 /nfs/dbraw/zinc/71/46/46/555714646.db2.gz KJEXVWOIFYUOMU-UHFFFAOYSA-N 0 0 447.453 5.569 50 10 biogenic IKCARN Cc1ccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002023342 555727552 /nfs/dbraw/zinc/72/75/52/555727552.db2.gz JVEIXXBFGJGOMD-UHFFFAOYSA-N 0 0 431.495 6.703 50 10 IKCARN Cc1nc2c(c(-c3ccc(Cl)cc3)c1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1-2 ZINC000002051181 555729242 /nfs/dbraw/zinc/72/92/42/555729242.db2.gz DDACHFQBQJEAGY-UHFFFAOYSA-N 0 0 445.927 5.755 50 10 IKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000002063015 555732755 /nfs/dbraw/zinc/73/27/55/555732755.db2.gz GUYVWXXPOJQSLA-XLNRJJMWSA-N 0 0 439.627 6.259 50 10 IKCARN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000002066667 555733671 /nfs/dbraw/zinc/73/36/71/555733671.db2.gz DFRPLFMHFXLPKG-XSFVSMFZSA-N 0 0 437.724 5.937 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000002070647 555734874 /nfs/dbraw/zinc/73/48/74/555734874.db2.gz RKNHSBASHMIAOU-AQTBWJFISA-N 0 0 447.423 5.701 50 10 IKCARN CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 ZINC000002137285 555747596 /nfs/dbraw/zinc/74/75/96/555747596.db2.gz RVPCCSUUIPIPNP-UHFFFAOYSA-N 0 0 429.520 5.848 50 10 IKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F ZINC000002160146 555750816 /nfs/dbraw/zinc/75/08/16/555750816.db2.gz SFFOHAQCMQMWJH-UHFFFAOYSA-N 0 0 446.316 5.884 50 10 IKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1 ZINC000002160118 555750931 /nfs/dbraw/zinc/75/09/31/555750931.db2.gz OFFDOUASKKWVSU-UHFFFAOYSA-N 0 0 428.326 5.745 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000002161980 555751102 /nfs/dbraw/zinc/75/11/02/555751102.db2.gz WIILPPOWPZFMCS-XKZIYDEJSA-N 0 0 434.536 6.087 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000002165246 555751440 /nfs/dbraw/zinc/75/14/40/555751440.db2.gz HSYPUNMMXYCJFT-NDENLUEZSA-N 0 0 426.900 6.128 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000002165265 555751524 /nfs/dbraw/zinc/75/15/24/555751524.db2.gz WUOARFMUCWVAPU-XKZIYDEJSA-N 0 0 436.964 6.605 50 10 IKCARN Cc1ccc(Nc2cc(Sc3ccc(C)cc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002313989 555767878 /nfs/dbraw/zinc/76/78/78/555767878.db2.gz SEHUEMFFLQBAON-UHFFFAOYSA-N 0 0 448.547 7.551 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000002334329 555769611 /nfs/dbraw/zinc/76/96/11/555769611.db2.gz ANUBAMYZSAOOSS-LFMVTYOGSA-N 0 0 440.373 5.634 50 10 IKCARN CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(CCc2ccccc2)C1=O)c1ccccc1 ZINC000002597414 555789746 /nfs/dbraw/zinc/78/97/46/555789746.db2.gz BMNIQMQAAAQEGC-DJTDIJDXSA-N 0 0 434.586 5.096 50 10 IKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002678082 555797688 /nfs/dbraw/zinc/79/76/88/555797688.db2.gz CKKSJKJMNJJDCK-PAJXCOJRSA-N 0 0 431.582 6.228 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCc1ccccc1 ZINC000002678179 555797789 /nfs/dbraw/zinc/79/77/89/555797789.db2.gz HFLKDOVPUNPTFF-QJOMJCCJSA-N 0 0 431.582 5.710 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000034688841 555803109 /nfs/dbraw/zinc/80/31/09/555803109.db2.gz FXWYVWZXQBALBL-NKFJNAIASA-N 0 0 445.592 5.602 50 10 IKCARN CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000002819016 555829459 /nfs/dbraw/zinc/82/94/59/555829459.db2.gz ZPBIXYIFOILSAF-PXNMLYILSA-N 0 0 445.915 6.476 50 10 IKCARN O=C1NC(=S)S/C1=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000002847960 555837991 /nfs/dbraw/zinc/83/79/91/555837991.db2.gz PPPDRMYWVKHNBJ-XDHOZWIPSA-N 0 0 428.966 5.253 50 10 IKCARN Cc1cccc(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000002874257 555851322 /nfs/dbraw/zinc/85/13/22/555851322.db2.gz XPYSRKPOTZOHOF-SANMLTNESA-N 0 0 439.559 6.475 50 10 IKCARN Cc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O ZINC000002878468 555853599 /nfs/dbraw/zinc/85/35/99/555853599.db2.gz JTCQMNQDMSPRCR-CPNJWEJPSA-N 0 0 433.982 5.327 50 10 IKCARN CC[C@H](C)c1ccccc1OCCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000002878437 555853608 /nfs/dbraw/zinc/85/36/08/555853608.db2.gz MLZGSZHFKOVLGO-WASCAKKMSA-N 0 0 427.591 5.537 50 10 IKCARN Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1 ZINC000002882524 555856263 /nfs/dbraw/zinc/85/62/63/555856263.db2.gz FYIHDLFPJFRKEO-XDHOZWIPSA-N 0 0 433.982 5.294 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000002893079 555859999 /nfs/dbraw/zinc/85/99/99/555859999.db2.gz MDOFTAOZBKQLRW-UHFFFAOYSA-N 0 0 426.303 6.120 50 10 IKCARN CCOC(=O)[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC)c1ccccc1 ZINC000002905910 555861303 /nfs/dbraw/zinc/86/13/03/555861303.db2.gz GZNJRBHOGAYPII-SANMLTNESA-N 0 0 428.484 5.706 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCCC2 ZINC000002909672 555861882 /nfs/dbraw/zinc/86/18/82/555861882.db2.gz MMRREUOQJGKJOO-UHFFFAOYSA-N 0 0 426.607 6.342 50 10 IKCARN C[C@@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000002959102 555867343 /nfs/dbraw/zinc/86/73/43/555867343.db2.gz NWAPFUHJSAIMPZ-OZHVRZOASA-N 0 0 431.582 6.228 50 10 IKCARN C[C@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000002959098 555867347 /nfs/dbraw/zinc/86/73/47/555867347.db2.gz NWAPFUHJSAIMPZ-RPNTZMPASA-N 0 0 431.582 6.228 50 10 IKCARN CN(C)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000002977673 555870292 /nfs/dbraw/zinc/87/02/92/555870292.db2.gz IWRNTRUANRBILT-QHCPKHFHSA-N 0 0 441.560 5.400 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Cl)cc2)cc1 ZINC000002978510 555870641 /nfs/dbraw/zinc/87/06/41/555870641.db2.gz QTQVLRJJQJARAP-XSFVSMFZSA-N 0 0 433.851 5.091 50 10 IKCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000002994002 555875731 /nfs/dbraw/zinc/87/57/31/555875731.db2.gz QMKOTDCLNMEGRK-BOPFTXTBSA-N 0 0 437.995 5.009 50 10 IKCARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000002997110 555876314 /nfs/dbraw/zinc/87/63/14/555876314.db2.gz NKCYQOVZEJRVCK-QFIPXVFZSA-N 0 0 440.355 5.391 50 10 IKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000003000606 555877567 /nfs/dbraw/zinc/87/75/67/555877567.db2.gz WZIKDSWXZVJEME-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN O=C1/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000003154754 555892604 /nfs/dbraw/zinc/89/26/04/555892604.db2.gz RAISKLSKDJHNJR-LFVJCYFKSA-N 0 0 442.609 5.651 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000003462593 555935615 /nfs/dbraw/zinc/93/56/15/555935615.db2.gz MMOJOSJAJSJBPV-HAHDFKILSA-N 0 0 449.597 6.039 50 10 IKCARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccccc1F ZINC000003672739 555945713 /nfs/dbraw/zinc/94/57/13/555945713.db2.gz CWRMBSVULOHESE-DEOSSOPVSA-N 0 0 436.918 5.473 50 10 IKCARN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000003769548 555945963 /nfs/dbraw/zinc/94/59/63/555945963.db2.gz LEFJZDNKFDMCFH-HTMJNSLASA-N 0 0 448.407 6.032 50 10 IKCARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000004172159 555972582 /nfs/dbraw/zinc/97/25/82/555972582.db2.gz QHCYDFLRIGCOKI-TYILLQQXSA-N 0 0 431.286 5.201 50 10 biogenic IKCARN Cc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)o1 ZINC000004180125 555974228 /nfs/dbraw/zinc/97/42/28/555974228.db2.gz SQEGOBAPAHPACT-MOSHPQCFSA-N 0 0 445.931 6.199 50 10 IKCARN CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1OC ZINC000004757356 556009665 /nfs/dbraw/zinc/00/96/65/556009665.db2.gz SUKFCPQLUZZYJC-GXDHUFHOSA-N 0 0 433.552 5.449 50 10 IKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2 ZINC000004757791 556010149 /nfs/dbraw/zinc/01/01/49/556010149.db2.gz BLUIHVLQEBVNNN-UMTXDNHDSA-N 0 0 425.528 6.269 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC)C2=O)c(OCc2ccccc2)c1 ZINC000005947731 556070456 /nfs/dbraw/zinc/07/04/56/556070456.db2.gz RADZCXGJMGTAFY-STZFKDTASA-N 0 0 426.607 5.333 50 10 IKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000006136002 556077056 /nfs/dbraw/zinc/07/70/56/556077056.db2.gz DMXOQHWJPHAHJT-ZCYQVOJMSA-N 0 0 433.939 5.657 50 10 IKCARN COc1cccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000006432018 556087211 /nfs/dbraw/zinc/08/72/11/556087211.db2.gz DYRXAXDGAQMJDP-JOCHJYFZSA-N 0 0 432.907 5.430 50 10 biogenic IKCARN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000006431740 556087269 /nfs/dbraw/zinc/08/72/69/556087269.db2.gz PSPRFCYWOGFTSF-HYARGMPZSA-N 0 0 445.544 5.078 50 10 IKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 ZINC000006925002 556110843 /nfs/dbraw/zinc/11/08/43/556110843.db2.gz HVUGFBRDTPAFJP-NFBKMPQASA-N 0 0 441.314 5.950 50 10 IKCARN Cc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3cccc4ccccc43)C2=O)o1 ZINC000097399417 556155093 /nfs/dbraw/zinc/15/50/93/556155093.db2.gz OHWCMTJSRAMEAT-JWGURIENSA-N 0 0 438.508 5.490 50 10 IKCARN O=C1NC(=S)S/C1=C\c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 ZINC000002994020 556156170 /nfs/dbraw/zinc/15/61/70/556156170.db2.gz GISPXPHBFZWEEI-JWGURIENSA-N 0 0 439.602 5.681 50 10 IKCARN COc1cccc(/C=C\C(=C2/C(C)=NN(c3ccccc3)C2=O)c2ccc(C)cc2)c1OC ZINC000097402239 556167756 /nfs/dbraw/zinc/16/77/56/556167756.db2.gz QVNDILWMFVYOEB-KHANVWSSSA-N 0 0 438.527 5.902 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 ZINC000008424862 556167976 /nfs/dbraw/zinc/16/79/76/556167976.db2.gz MCYDZXQOCGIQQS-YBFXNURJSA-N 0 0 446.380 6.968 50 10 IKCARN COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000008425745 556168631 /nfs/dbraw/zinc/16/86/31/556168631.db2.gz CNNZSIKJFXZAPB-SXGWCWSVSA-N 0 0 439.231 5.283 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C1CCCCC1 ZINC000008426550 556168814 /nfs/dbraw/zinc/16/88/14/556168814.db2.gz DDYVFHADHINGME-LDADJPATSA-N 0 0 437.508 6.499 50 10 IKCARN CCCOC(=O)c1cc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl ZINC000008430143 556170212 /nfs/dbraw/zinc/17/02/12/556170212.db2.gz SOYYBYPSEQRXKI-PDGQHHTCSA-N 0 0 432.307 5.279 50 10 IKCARN Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000008437992 556174373 /nfs/dbraw/zinc/17/43/73/556174373.db2.gz KQSLBWJBZMFNLO-SANMLTNESA-N 0 0 442.518 5.821 50 10 IKCARN Cc1ccc(Sc2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)c(C)c1 ZINC000008439321 556175518 /nfs/dbraw/zinc/17/55/18/556175518.db2.gz HKHPFYLQZIDRID-UHFFFAOYSA-N 0 0 435.570 6.114 50 10 IKCARN CC(=O)Nc1cccc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 ZINC000008440478 556176477 /nfs/dbraw/zinc/17/64/77/556176477.db2.gz VDZZEBVSBXWHKC-DHDCSXOGSA-N 0 0 437.714 5.324 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=N)S1 ZINC000008453006 556183389 /nfs/dbraw/zinc/18/33/89/556183389.db2.gz ZDCBBPDCCPSMFA-NIHHYISTSA-N 0 0 433.320 5.529 50 10 IKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000008453030 556183789 /nfs/dbraw/zinc/18/37/89/556183789.db2.gz FQHYQHWJULFYEC-LKBPJLASSA-N 0 0 448.548 5.110 50 10 IKCARN CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c(C[NH+]2CCCCC2)c1[O-] ZINC000008828697 556224824 /nfs/dbraw/zinc/22/48/24/556224824.db2.gz UUVRVBKHTIGLKP-UHFFFAOYSA-N 0 0 443.547 5.208 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c(OC)c1 ZINC000009188824 556252048 /nfs/dbraw/zinc/25/20/48/556252048.db2.gz HMFLWFIQDNLHTJ-HMAPJEAMSA-N 0 0 449.553 5.902 50 10 IKCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000009262199 556269248 /nfs/dbraw/zinc/26/92/48/556269248.db2.gz VUZRGLGTFPHDBM-UYRXBGFRSA-N 0 0 429.878 6.463 50 10 IKCARN CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccc(O)cc3)n3c4ccccc4nc3C1=C2 ZINC000009275522 556271717 /nfs/dbraw/zinc/27/17/17/556271717.db2.gz HOJRTBOZQZXWRE-RUZDIDTESA-N 0 0 436.515 5.480 50 10 IKCARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009288528 556272779 /nfs/dbraw/zinc/27/27/79/556272779.db2.gz AFHYWEYSDWKWMI-RUZDIDTESA-N 0 0 437.547 5.338 50 10 IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Br ZINC000009311263 556279620 /nfs/dbraw/zinc/27/96/20/556279620.db2.gz 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Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000013810752 556312281 /nfs/dbraw/zinc/31/22/81/556312281.db2.gz TXJSTVUFYVUMNT-NEAWXCLQSA-N 0 0 438.556 5.458 50 10 IKCARN O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000009914707 556316623 /nfs/dbraw/zinc/31/66/23/556316623.db2.gz QVJMYRDRRWZCJI-ZROIWOOFSA-N 0 0 448.392 5.287 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000013880073 556325357 /nfs/dbraw/zinc/32/53/57/556325357.db2.gz RMNXRLLYEAHMNK-HAHDFKILSA-N 0 0 446.934 6.124 50 10 IKCARN O=C(NC1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O ZINC000013892972 556327221 /nfs/dbraw/zinc/32/72/21/556327221.db2.gz ICQICKUAMZBPHQ-HXUWFJFHSA-N 0 0 442.357 5.348 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 ZINC000013894351 556328365 /nfs/dbraw/zinc/32/83/65/556328365.db2.gz UKOGXBKIXPPTOS-JLPGSUDCSA-N 0 0 426.516 5.779 50 10 IKCARN O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O ZINC000013895778 556329334 /nfs/dbraw/zinc/32/93/34/556329334.db2.gz CMZHLRFOVFYIBP-KRWDZBQOSA-N 0 0 427.323 5.208 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)cc3)C2=N)S1 ZINC000013897260 556329782 /nfs/dbraw/zinc/32/97/82/556329782.db2.gz PETJIQBFAWFNIP-OMYHDSEFSA-N 0 0 440.528 5.448 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000013939964 556337332 /nfs/dbraw/zinc/33/73/32/556337332.db2.gz CAKZQSLDTPKESL-QGOAFFKASA-N 0 0 449.981 5.028 50 10 IKCARN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000013941801 556338920 /nfs/dbraw/zinc/33/89/20/556338920.db2.gz UFUXWAFNMIVTRB-KGENOOAVSA-N 0 0 433.851 5.091 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000013942851 556340390 /nfs/dbraw/zinc/34/03/90/556340390.db2.gz ISSZURQCKOBWIM-IQGAPNPZSA-N 0 0 447.347 6.063 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c(C)c1 ZINC000014166031 556379321 /nfs/dbraw/zinc/37/93/21/556379321.db2.gz 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CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1OCC ZINC000015015722 556484703 /nfs/dbraw/zinc/48/47/03/556484703.db2.gz GIWMLLDBFDPOEQ-DEOSSOPVSA-N 0 0 429.520 5.643 50 10 IKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Oc4ccccc4)c3)c(O)c2n1 ZINC000015015687 556484795 /nfs/dbraw/zinc/48/47/95/556484795.db2.gz ICTCRAUTUKBQIN-AREMUKBSSA-N 0 0 433.511 6.638 50 10 IKCARN Cc1ccnc(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016009 556485152 /nfs/dbraw/zinc/48/51/52/556485152.db2.gz VNZDOJNNZBOYJL-SANMLTNESA-N 0 0 439.559 6.475 50 10 IKCARN Oc1c([C@@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc21 ZINC000015017082 556486498 /nfs/dbraw/zinc/48/64/98/556486498.db2.gz CNRARIIFXOGWOA-MHZLTWQESA-N 0 0 433.511 6.116 50 10 IKCARN O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000015055792 556490185 /nfs/dbraw/zinc/49/01/85/556490185.db2.gz JNHZREPELSPHDX-NVNXTCNLSA-N 0 0 440.771 5.170 50 10 IKCARN Cc1ccccc1[C@H]1c2ccccc2OC(c2cccs2)=C1C=C1SC(=S)NC1=O ZINC000013304022 556502039 /nfs/dbraw/zinc/50/20/39/556502039.db2.gz RWBUMFPLCDRAEN-MSTPFNHUSA-N 0 0 447.606 6.024 50 10 IKCARN N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000030718954 556502367 /nfs/dbraw/zinc/50/23/67/556502367.db2.gz CXYDZIQVASZCSH-YIFJCWOOSA-N 0 0 442.456 5.159 50 10 IKCARN CC(C)(C)c1ccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000013402351 556504442 /nfs/dbraw/zinc/50/44/42/556504442.db2.gz DAQGPZVYZXMDEA-KGENOOAVSA-N 0 0 436.602 5.507 50 10 IKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000015226161 556512360 /nfs/dbraw/zinc/51/23/60/556512360.db2.gz MUDMZZZWAQDKBZ-CLUVUEOHSA-N 0 0 440.754 6.499 50 10 IKCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000015228207 556512734 /nfs/dbraw/zinc/51/27/34/556512734.db2.gz CSHOKAIUOVFXDL-SXGWCWSVSA-N 0 0 437.359 5.060 50 10 IKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000013546281 556513935 /nfs/dbraw/zinc/51/39/35/556513935.db2.gz SJSXHMILCJLODX-LDADJPATSA-N 0 0 444.002 6.486 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000013547366 556514189 /nfs/dbraw/zinc/51/41/89/556514189.db2.gz IERDFGLGOZDOFI-HAHDFKILSA-N 0 0 447.581 5.988 50 10 IKCARN CN(C)c1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000013562592 556517931 /nfs/dbraw/zinc/51/79/31/556517931.db2.gz OBARADUUBGZLLN-UHFFFAOYSA-N 0 0 442.522 6.408 50 10 IKCARN Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1C ZINC000003096292 556519622 /nfs/dbraw/zinc/51/96/22/556519622.db2.gz XCSNFBRXRBNSKR-YVLHZVERSA-N 0 0 433.396 5.337 50 10 IKCARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000015412905 556525709 /nfs/dbraw/zinc/52/57/09/556525709.db2.gz AIDJGNIGEFBJEZ-VWLOTQADSA-N 0 0 447.966 5.144 50 10 IKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000013616531 556535551 /nfs/dbraw/zinc/53/55/51/556535551.db2.gz DMXOQHWJPHAHJT-ILBGXUMGSA-N 0 0 433.939 5.657 50 10 IKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000015799303 556552419 /nfs/dbraw/zinc/55/24/19/556552419.db2.gz YILGKPBHZGVSSN-UHFFFAOYSA-N 0 0 427.843 5.628 50 10 IKCARN Cc1cc(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)ccc1Cl ZINC000015800523 556553084 /nfs/dbraw/zinc/55/30/84/556553084.db2.gz IYVQNMACOBTVQJ-YVLHZVERSA-N 0 0 440.373 5.248 50 10 IKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)c1 ZINC000033431710 556563920 /nfs/dbraw/zinc/56/39/20/556563920.db2.gz OUXWWJPJUCJNGG-LPYMAVHISA-N 0 0 447.629 6.013 50 10 IKCARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000015945510 556566844 /nfs/dbraw/zinc/56/68/44/556566844.db2.gz CPFMKKWQEPOTEB-BOPFTXTBSA-N 0 0 429.929 5.379 50 10 IKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000015945718 556566870 /nfs/dbraw/zinc/56/68/70/556566870.db2.gz XTKDSGVCZBCGGC-VOJFVSQTSA-N 0 0 449.414 6.186 50 10 IKCARN CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000015947813 556568703 /nfs/dbraw/zinc/56/87/03/556568703.db2.gz GDAVIIMNADPHBO-WNWIJWBNSA-N 0 0 427.353 5.713 50 10 IKCARN O=C(C(=O)c1ccc2c(c1)[nH]c1cc(C(=O)C(=O)c3ccccc3)ccc12)c1ccccc1 ZINC000002896382 556578541 /nfs/dbraw/zinc/57/85/41/556578541.db2.gz ZXYUJSNGFZEIRO-UHFFFAOYSA-N 0 0 431.447 5.452 50 10 IKCARN O=C1/C(=C\C=C2/SCCN2CCc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000016101954 556583022 /nfs/dbraw/zinc/58/30/22/556583022.db2.gz SVZCSMQWWFAMHS-PXQYURKDSA-N 0 0 438.643 5.064 50 10 IKCARN COc1ccc(/C=C\C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 ZINC000034860739 556584312 /nfs/dbraw/zinc/58/43/12/556584312.db2.gz WGUNSZPAACSIAQ-VZNCOVNJSA-N 0 0 446.444 5.949 50 10 IKCARN COc1ccc(/C=C/C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 ZINC000034860741 556584370 /nfs/dbraw/zinc/58/43/70/556584370.db2.gz WGUNSZPAACSIAQ-MZRWPZDNSA-N 0 0 446.444 5.949 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C2=N)S1 ZINC000032964134 556585044 /nfs/dbraw/zinc/58/50/44/556585044.db2.gz GFIPOZBIYCRRHT-GOPRIXMCSA-N 0 0 432.336 5.203 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1 ZINC000032964161 556585256 /nfs/dbraw/zinc/58/52/56/556585256.db2.gz LWFNYLLDQLETMZ-XMXHIQRUSA-N 0 0 446.363 5.593 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc4ccccc43)C2=N)S1 ZINC000032964176 556585608 /nfs/dbraw/zinc/58/56/08/556585608.db2.gz ZHWAPOMLAKRNAY-BACOSTCQSA-N 0 0 427.533 5.440 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000032964179 556585619 /nfs/dbraw/zinc/58/56/19/556585619.db2.gz CGWIVUASYVEULF-NCNWTYLVSA-N 0 0 427.533 5.440 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C2=N)S1 ZINC000032964386 556587042 /nfs/dbraw/zinc/58/70/42/556587042.db2.gz XLOCCHIRWWJKQL-MLYBZPKHSA-N 0 0 432.336 5.059 50 10 IKCARN COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000016192791 556588724 /nfs/dbraw/zinc/58/87/24/556588724.db2.gz FHBOTNYDWWBWLQ-CHHVJCJISA-N 0 0 430.765 6.061 50 10 IKCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N12 ZINC000032969747 556588751 /nfs/dbraw/zinc/58/87/51/556588751.db2.gz GPBFEQBIMOWOHM-CLFJUMGRSA-N 0 0 446.579 5.131 50 10 IKCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(SC4CCCCC4)o3)C(=N)N12 ZINC000032969743 556588799 /nfs/dbraw/zinc/58/87/99/556588799.db2.gz PBXAQNNIXHGENO-SRRKIXIOSA-N 0 0 448.639 5.670 50 10 IKCARN COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000016267625 556595906 /nfs/dbraw/zinc/59/59/06/556595906.db2.gz JXZFJEOVWSIJGA-BKUYFWCQSA-N 0 0 437.542 5.269 50 10 IKCARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000016448867 556609006 /nfs/dbraw/zinc/60/90/06/556609006.db2.gz QHCYDFLRIGCOKI-KSMMKXTCSA-N 0 0 431.286 5.201 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc(Br)cc1)c1ccccc1 ZINC000100544251 556615718 /nfs/dbraw/zinc/61/57/18/556615718.db2.gz MBAVTHSKXNBNIU-DNOXEFQFSA-N 0 0 443.344 6.339 50 10 IKCARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000100555839 556619386 /nfs/dbraw/zinc/61/93/86/556619386.db2.gz KGNSGJYDOPLOHH-HYARGMPZSA-N 0 0 436.433 6.091 50 10 IKCARN Cn1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000033741729 556629538 /nfs/dbraw/zinc/62/95/38/556629538.db2.gz XBIGMQIORORRDX-LICLKQGHSA-N 0 0 429.364 5.347 50 10 IKCARN CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OCC ZINC000016713633 556630655 /nfs/dbraw/zinc/63/06/55/556630655.db2.gz XAFMWKYLQPKDEI-KQRQPNSISA-N 0 0 427.591 5.837 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000016713612 556630686 /nfs/dbraw/zinc/63/06/86/556630686.db2.gz HYWUJJCRENJLRV-STZFKDTASA-N 0 0 449.601 5.468 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000033763233 556631693 /nfs/dbraw/zinc/63/16/93/556631693.db2.gz UYOIJVWWRDXGDK-NKFJNAIASA-N 0 0 439.544 5.070 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000033774712 556632274 /nfs/dbraw/zinc/63/22/74/556632274.db2.gz NNKLAOPXKSGTAO-JNANOZLHSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)cc1 ZINC000016790864 556642810 /nfs/dbraw/zinc/64/28/10/556642810.db2.gz SHAVXHSJAUQQHL-RCCKNPSSSA-N 0 0 437.586 5.748 50 10 IKCARN O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000016972945 556651741 /nfs/dbraw/zinc/65/17/41/556651741.db2.gz UJKYIIBCDSZFTA-RCCKNPSSSA-N 0 0 437.524 5.502 50 10 IKCARN Cc1cccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1C ZINC000032926545 556655444 /nfs/dbraw/zinc/65/54/44/556655444.db2.gz XCSNFBRXRBNSKR-LICLKQGHSA-N 0 0 433.396 5.337 50 10 IKCARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)[C@H]1C ZINC000248092979 556662409 /nfs/dbraw/zinc/66/24/09/556662409.db2.gz LYGPTKUKZCLVNO-YZIHRLCOSA-N 0 0 426.604 6.578 50 10 IKCARN CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)O1 ZINC000017145814 556669912 /nfs/dbraw/zinc/66/99/12/556669912.db2.gz WHIZPHRSGPPVPG-UHFFFAOYSA-N 0 0 444.911 5.317 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccccc1 ZINC000017185869 556672013 /nfs/dbraw/zinc/67/20/13/556672013.db2.gz VKFUPNLKOGRRAK-YBFXNURJSA-N 0 0 446.380 6.655 50 10 IKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2nc(C)cs2)C1=O ZINC000017196571 556672695 /nfs/dbraw/zinc/67/26/95/556672695.db2.gz YKCGKARPVPNQSX-YYMXQEISSA-N 0 0 443.619 5.018 50 10 IKCARN COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC ZINC000018169871 556685645 /nfs/dbraw/zinc/68/56/45/556685645.db2.gz PWOPJJWARHVWIL-HSZRJFAPSA-N 0 0 445.519 5.180 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1ccco1 ZINC000013573624 556699131 /nfs/dbraw/zinc/69/91/31/556699131.db2.gz MHGCYKFSXFMXOG-RQZCQDPDSA-N 0 0 436.341 6.248 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000013602703 556701659 /nfs/dbraw/zinc/70/16/59/556701659.db2.gz HSPPDAOIBBQBIV-WQRHYEAKSA-N 0 0 438.401 6.787 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1ccccc1 ZINC000013603183 556701727 /nfs/dbraw/zinc/70/17/27/556701727.db2.gz KJPDHMZPNBGITA-ODLFYWEKSA-N 0 0 446.380 6.655 50 10 IKCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000013777852 556731328 /nfs/dbraw/zinc/73/13/28/556731328.db2.gz NJQCZHQOPFOANQ-SOFYXZRVSA-N 0 0 426.346 5.416 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000033925283 556733111 /nfs/dbraw/zinc/73/31/11/556733111.db2.gz KZFXTFSXBBIQKA-QVKWDTFWSA-N 0 0 441.560 5.523 50 10 IKCARN O=C(Nc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1)c1ccccc1Cl ZINC000084500256 556743175 /nfs/dbraw/zinc/74/31/75/556743175.db2.gz DZWWGYGJSYSNMN-XMHGGMMESA-N 0 0 425.941 5.049 50 10 IKCARN O=C(C(=O)c1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000003190299 556749940 /nfs/dbraw/zinc/74/99/40/556749940.db2.gz FCZHLLCAHJUHAZ-UHFFFAOYSA-N 0 0 434.447 5.610 50 10 IKCARN COc1ccc2c3ccc(OCC(=O)c4ccc(-c5ccccc5)cc4)cc3oc(=O)c2c1 ZINC000002356426 556761170 /nfs/dbraw/zinc/76/11/70/556761170.db2.gz NUCYXZFCPMAJFV-UHFFFAOYSA-N 0 0 436.463 5.884 50 10 IKCARN N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000002124814 556799388 /nfs/dbraw/zinc/79/93/88/556799388.db2.gz TVRXAPPPLJFOOY-FAXLCBLLSA-N 0 0 432.892 5.267 50 10 IKCARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(Cc1ccccn1)c1ccc(F)cc1F ZINC000059785469 556804488 /nfs/dbraw/zinc/80/44/88/556804488.db2.gz DBJQUDYQQVXEHH-WYMLVPIESA-N 0 0 444.485 5.409 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000003283158 556808533 /nfs/dbraw/zinc/80/85/33/556808533.db2.gz YFSWWQUDUPZLBY-UHFFFAOYSA-N 0 0 436.722 6.094 50 10 IKCARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c1C ZINC000003286517 556808643 /nfs/dbraw/zinc/80/86/43/556808643.db2.gz RAKFHETWAWSGIC-UHFFFAOYSA-N 0 0 444.506 5.692 50 10 IKCARN CC(C)c1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000334160523 556836672 /nfs/dbraw/zinc/83/66/72/556836672.db2.gz GOWXBFDTOQVBBP-WQRHYEAKSA-N 0 0 447.423 5.843 50 10 IKCARN O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccccc1 ZINC000003123840 556839703 /nfs/dbraw/zinc/83/97/03/556839703.db2.gz JLHQSSKCNONIFX-UHFFFAOYSA-N 0 0 441.508 5.872 50 10 IKCARN Fc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000008843409 556849800 /nfs/dbraw/zinc/84/98/00/556849800.db2.gz CQUJJZMNGIYYGZ-UHFFFAOYSA-N 0 0 434.458 5.602 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)cc1 ZINC000008845883 556849946 /nfs/dbraw/zinc/84/99/46/556849946.db2.gz LQGLIQCZSKSGCG-UHFFFAOYSA-N 0 0 435.351 5.890 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1Cl ZINC000008845885 556850029 /nfs/dbraw/zinc/85/00/29/556850029.db2.gz ZPNRAWVTBBFHRH-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN CC[C@H]1CCCCN1C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097955932 556862975 /nfs/dbraw/zinc/86/29/75/556862975.db2.gz CJKDINQBCBIBJT-YERMXCGQSA-N 0 0 444.457 5.887 50 10 IKCARN N=C1/C(=C/c2cccn2Cc2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033157359 556878490 /nfs/dbraw/zinc/87/84/90/556878490.db2.gz YATKAFVIFROZLJ-SMTYPRMSSA-N 0 0 444.947 5.494 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000033149730 556878549 /nfs/dbraw/zinc/87/85/49/556878549.db2.gz WVMGNSSNIFMHAO-BTHBKKPGSA-N 0 0 447.347 6.063 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000033154933 556878814 /nfs/dbraw/zinc/87/88/14/556878814.db2.gz CFFKNEJODFYJFJ-JCMHNJIXSA-N 0 0 433.554 5.680 50 10 IKCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000033160866 556879199 /nfs/dbraw/zinc/87/91/99/556879199.db2.gz VUZRGLGTFPHDBM-CPNJWEJPSA-N 0 0 429.878 6.463 50 10 IKCARN COc1ccc(Oc2coc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)c2=O)cc1 ZINC000019789741 556914637 /nfs/dbraw/zinc/91/46/37/556914637.db2.gz VNUFJZWURVBMAU-UHFFFAOYSA-N 0 0 425.525 5.414 50 10 biogenic IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)c1 ZINC000019791547 556915190 /nfs/dbraw/zinc/91/51/90/556915190.db2.gz FGHLSHCVMZJNMM-OAHLLOKOSA-N 0 0 447.453 5.993 50 10 biogenic IKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccco1 ZINC000019800503 556917411 /nfs/dbraw/zinc/91/74/11/556917411.db2.gz NLPGGHIKSQJDGH-XDHOZWIPSA-N 0 0 449.582 5.595 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1C ZINC000019912637 556943379 /nfs/dbraw/zinc/94/33/79/556943379.db2.gz IPMVBBPLDKTQIY-DEDYPNTBSA-N 0 0 435.574 5.077 50 10 IKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000019927899 556945854 /nfs/dbraw/zinc/94/58/54/556945854.db2.gz IPWGLLWKVWCEIU-QNGOZBTKSA-N 0 0 432.524 5.135 50 10 IKCARN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)c1 ZINC000020059377 556975561 /nfs/dbraw/zinc/97/55/61/556975561.db2.gz BSUQTOQYQDTPSK-KOEQRZSOSA-N 0 0 436.555 6.645 50 10 IKCARN O=C1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c2ccccc2N1c1ccccc1 ZINC000020059448 556975567 /nfs/dbraw/zinc/97/55/67/556975567.db2.gz XJSXKAUJYCFQMY-OVVQPSECSA-N 0 0 444.509 7.048 50 10 IKCARN CCN(CC)C(=O)Cn1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c2ccccc21 ZINC000020059420 556975577 /nfs/dbraw/zinc/97/55/77/556975577.db2.gz WISKVAFUXNGPMI-XIEYBQDHSA-N 0 0 449.554 5.729 50 10 IKCARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033265478 556975811 /nfs/dbraw/zinc/97/58/11/556975811.db2.gz VMXYFPYMNABTSL-XMMPIXPASA-N 0 0 448.636 5.507 50 10 IKCARN S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(Cc2ccccc2)CC1 ZINC000023115450 557005820 /nfs/dbraw/zinc/00/58/20/557005820.db2.gz CMTMQJUACHQGKX-UHFFFAOYSA-N 0 0 431.388 5.747 50 10 IKCARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(C)c2)N3)c1 ZINC000043765332 557078017 /nfs/dbraw/zinc/07/80/17/557078017.db2.gz IIQKVBNNKZPKIC-MVERNJQCSA-N 0 0 446.572 5.631 50 10 IKCARN COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000033332292 557117572 /nfs/dbraw/zinc/11/75/72/557117572.db2.gz XXXQJCDQYKBNED-WOJGMQOQSA-N 0 0 444.350 5.048 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100894740 557117722 /nfs/dbraw/zinc/11/77/22/557117722.db2.gz CVPHBRODHACFPU-HYARGMPZSA-N 0 0 447.878 5.633 50 10 IKCARN CCOc1cc(/C=C2/SC(c3ccccc3)=NC2=O)cc(Br)c1OCC ZINC000033333780 557118324 /nfs/dbraw/zinc/11/83/24/557118324.db2.gz BLVGCWLNGUPMDH-SFQUDFHCSA-N 0 0 432.339 5.308 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000101123343 557120691 /nfs/dbraw/zinc/12/06/91/557120691.db2.gz HIMBFNXQVZJWIJ-PLNGWDEDSA-N 0 0 442.515 5.666 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000033347549 557123013 /nfs/dbraw/zinc/12/30/13/557123013.db2.gz DFRPLFMHFXLPKG-ZHZULCJRSA-N 0 0 437.724 5.937 50 10 IKCARN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000006196043 557125954 /nfs/dbraw/zinc/12/59/54/557125954.db2.gz AIWJGVFHSBBCCN-HMMYKYKNSA-N 0 0 425.444 5.025 50 10 IKCARN Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000000653949 557129836 /nfs/dbraw/zinc/12/98/36/557129836.db2.gz NUNRFKNXAHVCNW-NOTUOJBMSA-N 0 0 444.600 6.239 50 10 IKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002936554 557135236 /nfs/dbraw/zinc/13/52/36/557135236.db2.gz JGMZPTQCKWRIRI-PTNGSMBKSA-N 0 0 438.233 5.599 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000024303251 557143510 /nfs/dbraw/zinc/14/35/10/557143510.db2.gz IAQKXFGPYLIQMT-XMMPIXPASA-N 0 0 444.531 5.747 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000009427722 557145695 /nfs/dbraw/zinc/14/56/95/557145695.db2.gz IEMQXEAZDGYPHV-AKGOGDBKSA-N 0 0 449.601 5.548 50 10 IKCARN CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000096190096 557182507 /nfs/dbraw/zinc/18/25/07/557182507.db2.gz AZWJCEAEFCQSOT-ODLFYWEKSA-N 0 0 432.863 5.385 50 10 IKCARN CC(C)(C)c1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000098002367 557189159 /nfs/dbraw/zinc/18/91/59/557189159.db2.gz WREXTZKTHKPVMN-SFQUDFHCSA-N 0 0 425.604 5.822 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2[nH]c(C)c(C/C=C/c3ccccc3)c(=O)n2n1 ZINC000100921617 557202045 /nfs/dbraw/zinc/20/20/45/557202045.db2.gz DZFARNBSBXPBEL-JXMROGBWSA-N 0 0 440.572 6.135 50 10 IKCARN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCC(=O)Nc1ccccc1 ZINC000000802575 557221554 /nfs/dbraw/zinc/22/15/54/557221554.db2.gz LQIYJKXTATVKOK-UHFFFAOYSA-N 0 0 425.488 5.402 50 10 IKCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100148282 557243089 /nfs/dbraw/zinc/24/30/89/557243089.db2.gz PNANEEGQWCRWBN-FYJGNVAPSA-N 0 0 437.326 6.379 50 10 IKCARN O=C(Nc1cc(Cl)ccc1Cl)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000000810832 557243435 /nfs/dbraw/zinc/24/34/35/557243435.db2.gz SLQNZGFUYUTUDL-UHFFFAOYSA-N 0 0 435.266 5.274 50 10 IKCARN O=C(Nc1ccc(Br)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000018154816 557243892 /nfs/dbraw/zinc/24/38/92/557243892.db2.gz NUXIULFPJVAFPI-NBJYBMASSA-N 0 0 447.376 5.854 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000018173586 557245571 /nfs/dbraw/zinc/24/55/71/557245571.db2.gz ZECGSTGJDMTRMU-SXWKCWPCSA-N 0 0 430.891 6.306 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000018173584 557245636 /nfs/dbraw/zinc/24/56/36/557245636.db2.gz ZECGSTGJDMTRMU-ZRCGQRJVSA-N 0 0 430.891 6.306 50 10 IKCARN CCOC(=O)c1ccc(/N=N/c2c(-c3ccc(Br)cc3)cc3ccccn32)cc1 ZINC000018192262 557246899 /nfs/dbraw/zinc/24/68/99/557246899.db2.gz QCPRAGHPAGQVSV-OCEACIFDSA-N 0 0 448.320 6.961 50 10 IKCARN CCN(CC)c1ccc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)c(O)c1 ZINC000018193880 557247283 /nfs/dbraw/zinc/24/72/83/557247283.db2.gz WKHGLTCNKYLZQW-ZDLGFXPLSA-N 0 0 446.370 5.083 50 10 IKCARN CCOC(=O)c1c(/N=N/c2ccc(C)cc2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2 ZINC000100227633 557249494 /nfs/dbraw/zinc/24/94/94/557249494.db2.gz AZAIFBZRGMNSJW-CYYJNZCTSA-N 0 0 433.508 5.937 50 10 IKCARN O=C1N=C(N2CCCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000027018088 557254301 /nfs/dbraw/zinc/25/43/01/557254301.db2.gz GKRXHLBFRYKRCQ-HKWRFOASSA-N 0 0 434.590 5.447 50 10 IKCARN Cc1ccc(CNC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000027020261 557254834 /nfs/dbraw/zinc/25/48/34/557254834.db2.gz WVXCJHNWZBEISQ-STZFKDTASA-N 0 0 438.618 5.026 50 10 IKCARN CCOC(=O)c1cc(NC=C2C(=O)N(c3cccc4ccccc43)N=C2C)ccc1Cl ZINC000101113838 557256353 /nfs/dbraw/zinc/25/63/53/557256353.db2.gz ZBTPHTNWEZSKFG-XSFVSMFZSA-N 0 0 433.895 5.388 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl ZINC000101114215 557256588 /nfs/dbraw/zinc/25/65/88/557256588.db2.gz CSGUIFFUIUTYRG-KGENOOAVSA-N 0 0 439.943 5.632 50 10 IKCARN CCCOC(=O)c1cc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Cl ZINC000101114371 557256630 /nfs/dbraw/zinc/25/66/30/557256630.db2.gz SOYYBYPSEQRXKI-LDADJPATSA-N 0 0 432.307 5.279 50 10 IKCARN CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)ccc1O ZINC000027229154 557258817 /nfs/dbraw/zinc/25/88/17/557258817.db2.gz OMQQQKGMCLCRJR-LZYBPNLTSA-N 0 0 442.846 5.546 50 10 IKCARN COc1cc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)ccc1O ZINC000027229119 557258894 /nfs/dbraw/zinc/25/88/94/557258894.db2.gz RRPXUYVLEGMNMV-VIZOYTHASA-N 0 0 428.819 5.155 50 10 IKCARN CC(Nc1ccccc1OC(F)(F)F)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100423131 557260497 /nfs/dbraw/zinc/26/04/97/557260497.db2.gz UHABJYDDFKLMEZ-BOPFTXTBSA-N 0 0 432.427 5.304 50 10 IKCARN COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1Br ZINC000027501340 557263218 /nfs/dbraw/zinc/26/32/18/557263218.db2.gz FGJAAUYGCYCBBX-QPEQYQDCSA-N 0 0 440.124 5.571 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C\c2nc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S ZINC000027562524 557265489 /nfs/dbraw/zinc/26/54/89/557265489.db2.gz UZNHVXVJUBARRB-TWQQJCIXSA-N 0 0 434.590 5.242 50 10 IKCARN COC(=O)c1nn(-c2ccccc2)c(=O)c(/N=N/c2cccc(C(F)(F)F)c2)c1Cl ZINC000100913725 557278405 /nfs/dbraw/zinc/27/84/05/557278405.db2.gz SOGZSFGTHMGKMZ-OCOZRVBESA-N 0 0 436.777 5.107 50 10 IKCARN COc1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000102301156 557300843 /nfs/dbraw/zinc/30/08/43/557300843.db2.gz CISDZWIPNCIQFD-BYYHNAKLSA-N 0 0 427.460 6.230 50 10 IKCARN CCN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000102149394 557313703 /nfs/dbraw/zinc/31/37/03/557313703.db2.gz MDVOQYVRFMSVIH-JFLJVCDGSA-N 0 0 433.023 6.063 50 10 IKCARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000102172214 557313924 /nfs/dbraw/zinc/31/39/24/557313924.db2.gz REUYYMJEEGXLMG-JFJYTDJESA-N 0 0 429.532 5.394 50 10 IKCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000103657902 557317608 /nfs/dbraw/zinc/31/76/08/557317608.db2.gz VXURGPPVMYFNOO-UYRXBGFRSA-N 0 0 434.337 5.938 50 10 IKCARN COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000033398614 557326720 /nfs/dbraw/zinc/32/67/20/557326720.db2.gz ODMMXBRLAVPKNR-NVNXTCNLSA-N 0 0 440.771 5.517 50 10 IKCARN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)cc1 ZINC000033343625 557333837 /nfs/dbraw/zinc/33/38/37/557333837.db2.gz OABKDYLLAMSCTE-JCMHNJIXSA-N 0 0 435.593 5.844 50 10 IKCARN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccc(I)cc1 ZINC000033347595 557333849 /nfs/dbraw/zinc/33/38/49/557333849.db2.gz OHPLPIFYGHYHIZ-ZROIWOOFSA-N 0 0 440.693 5.027 50 10 IKCARN COc1ccc(-c2ccc(CCC(=O)N3CCCCC3)n2-c2ccc(SC)cc2)cc1 ZINC000023335977 557348522 /nfs/dbraw/zinc/34/85/22/557348522.db2.gz XAYWHQBXVLWHSS-UHFFFAOYSA-N 0 0 434.605 5.820 50 10 IKCARN COc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000013563443 557353695 /nfs/dbraw/zinc/35/36/95/557353695.db2.gz ABIAUPSWCCVJMS-UHFFFAOYSA-N 0 0 429.479 6.350 50 10 IKCARN COc1ccc(-n2c(CCC(=O)NCc3ccccc3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023454898 557362142 /nfs/dbraw/zinc/36/21/42/557362142.db2.gz PZQYDJFLBJKOII-UHFFFAOYSA-N 0 0 444.962 6.055 50 10 IKCARN COc1ccc(-n2c(CCC(=O)NCc3cccnc3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023456172 557362373 /nfs/dbraw/zinc/36/23/73/557362373.db2.gz DBAICGJACQMVMX-UHFFFAOYSA-N 0 0 445.950 5.450 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000033459811 557399921 /nfs/dbraw/zinc/39/99/21/557399921.db2.gz RLZBJRUJXXAGEX-YXBAXSDQSA-N 0 0 439.972 5.557 50 10 IKCARN CC(NCCc1c[nH]c2ccc(Cl)cc12)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100422986 557402493 /nfs/dbraw/zinc/40/24/93/557402493.db2.gz UEOVVQCHGIPLAJ-BKUYFWCQSA-N 0 0 449.967 5.260 50 10 IKCARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000102928178 557410528 /nfs/dbraw/zinc/41/05/28/557410528.db2.gz ZJLUVKCEHIUFQW-UZTOHYMASA-N 0 0 443.978 7.035 50 10 IKCARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000102928179 557410533 /nfs/dbraw/zinc/41/05/33/557410533.db2.gz ZJLUVKCEHIUFQW-PPHZAIPVSA-N 0 0 443.978 7.035 50 10 IKCARN C[C@H]1CCCCN1C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000103067040 557417632 /nfs/dbraw/zinc/41/76/32/557417632.db2.gz ZWGHCWGHQBIICU-MXYBCXKASA-N 0 0 430.430 5.497 50 10 IKCARN CCCN(CC1CC1)C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000103072490 557418406 /nfs/dbraw/zinc/41/84/06/557418406.db2.gz JOHQNJXDLKMQQE-RIFNKFLMSA-N 0 0 444.457 5.745 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000034259325 557419702 /nfs/dbraw/zinc/41/97/02/557419702.db2.gz WHLHVDFHFXSGGG-MJBUPYINSA-N 0 0 433.581 5.520 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000033625534 557424790 /nfs/dbraw/zinc/42/47/90/557424790.db2.gz CNWYNTNPJSUWKO-JKJUGIAJSA-N 0 0 433.581 5.376 50 10 IKCARN COc1cc(C=C2C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)ccc1OCc1ccccc1 ZINC000100540826 557425790 /nfs/dbraw/zinc/42/57/90/557425790.db2.gz NTAPUXXWTAEBBS-BUVRLJJBSA-N 0 0 440.499 5.283 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C2=N)S1 ZINC000103493978 557437829 /nfs/dbraw/zinc/43/78/29/557437829.db2.gz DKOXVWBJUMXCFF-IGHITQMYSA-N 0 0 448.548 5.254 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000103515945 557438152 /nfs/dbraw/zinc/43/81/52/557438152.db2.gz BZPSMRYVNCATOC-DEDYPNTBSA-N 0 0 440.337 5.333 50 10 IKCARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103523532 557438418 /nfs/dbraw/zinc/43/84/18/557438418.db2.gz CBEXRVVQTDVZCO-VWLOTQADSA-N 0 0 431.580 6.201 50 10 IKCARN CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000223207918 557446252 /nfs/dbraw/zinc/44/62/52/557446252.db2.gz YQBHUEMNMUJGHN-UHFFFAOYSA-N 0 0 436.504 5.117 50 10 IKCARN CN(C)c1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000100045991 557454080 /nfs/dbraw/zinc/45/40/80/557454080.db2.gz QZSDQVYTWIDFOR-GIJQJNRQSA-N 0 0 432.392 5.047 50 10 IKCARN COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000106379600 557528538 /nfs/dbraw/zinc/52/85/38/557528538.db2.gz TUONGLLOOGOXQQ-BKUYFWCQSA-N 0 0 449.553 5.756 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(/N=N/[C@@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)C1 ZINC000107830957 557536747 /nfs/dbraw/zinc/53/67/47/557536747.db2.gz DNDVUVUSSISDDK-XMZKLNNLSA-N 0 0 444.457 5.601 50 10 IKCARN CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856817 557831380 /nfs/dbraw/zinc/83/13/80/557831380.db2.gz MGXGZBQGUWYKSQ-AOYPEHQESA-N 0 0 436.640 5.870 50 10 biogenic IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000015010466 557850579 /nfs/dbraw/zinc/85/05/79/557850579.db2.gz XOCMUVCNFGHPTC-ATVHPVEESA-N 0 0 430.813 6.425 50 10 IKCARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1C ZINC000001134393 562920672 /nfs/dbraw/zinc/92/06/72/562920672.db2.gz XTLUDINLEUZFDI-UHFFFAOYSA-N 0 0 433.529 5.644 50 10 IKCARN COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000006405460 562946656 /nfs/dbraw/zinc/94/66/56/562946656.db2.gz MZGLFQDAHATKPL-QFIPXVFZSA-N 0 0 448.906 5.130 50 10 IKCARN COc1cccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000006427093 562946705 /nfs/dbraw/zinc/94/67/05/562946705.db2.gz MIDIVLDQHNVZLB-MDRMPYQZSA-N 0 0 444.918 5.787 50 10 IKCARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006747972 562948332 /nfs/dbraw/zinc/94/83/32/562948332.db2.gz BUEIZOGQAYYAJZ-FQEVSTJZSA-N 0 0 426.944 5.282 50 10 IKCARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000006804327 562948388 /nfs/dbraw/zinc/94/83/88/562948388.db2.gz IVWAKVKHUXEHAS-GOSISDBHSA-N 0 0 426.944 5.304 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@@H](C)CC2 ZINC000008583585 562949763 /nfs/dbraw/zinc/94/97/63/562949763.db2.gz NVDFKQLULUJTAD-AWEZNQCLSA-N 0 0 441.984 5.794 50 10 IKCARN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 ZINC000008608774 562957481 /nfs/dbraw/zinc/95/74/81/562957481.db2.gz MNCGOBFFDYOANG-MHZLTWQESA-N 0 0 443.591 5.074 50 10 aggregator IKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21 ZINC000009075650 562966952 /nfs/dbraw/zinc/96/69/52/562966952.db2.gz IGVTUOUWEWKZBH-AWEZNQCLSA-N 0 0 428.326 5.303 50 10 IKCARN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000000910375 568636875 /nfs/dbraw/zinc/63/68/75/568636875.db2.gz LXLQSUMYPMUOSR-HMAPJEAMSA-N 0 0 443.300 5.217 50 10 IKCARN COc1ccccc1NC(=O)c1c(NCc2cccc(OC)c2OC)sc2c1CCC2 ZINC000000920840 568637442 /nfs/dbraw/zinc/63/74/42/568637442.db2.gz VRZYAVPSUAEDRK-UHFFFAOYSA-N 0 0 438.549 5.127 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(C)cc1 ZINC000000939383 568640609 /nfs/dbraw/zinc/64/06/09/568640609.db2.gz DOGYPLAUGCFTPQ-UHFFFAOYSA-N 0 0 432.574 5.635 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(F)cc1 ZINC000000939378 568640756 /nfs/dbraw/zinc/64/07/56/568640756.db2.gz YRCVLRLYCMUXKV-UHFFFAOYSA-N 0 0 436.537 5.466 50 10 IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1C(F)(F)F ZINC000000946468 568643608 /nfs/dbraw/zinc/64/36/08/568643608.db2.gz RJOBLLNKNDGUNW-UHFFFAOYSA-N 0 0 433.426 5.179 50 10 biogenic IKCARN Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000025396056 568656506 /nfs/dbraw/zinc/65/65/06/568656506.db2.gz KKFZWLROWZVAOS-UHFFFAOYSA-N 0 0 427.476 5.547 50 10 IKCARN CCOc1cc(OCC)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000001139771 568660837 /nfs/dbraw/zinc/66/08/37/568660837.db2.gz DLKPFXZZIFFJPV-PXNMLYILSA-N 0 0 444.416 5.104 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000001128075 568661581 /nfs/dbraw/zinc/66/15/81/568661581.db2.gz DDCRWQPCZQRMBM-OHUGHZGNSA-N 0 0 443.474 5.658 50 10 IKCARN COc1ccc(CN2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 ZINC000001145528 568662275 /nfs/dbraw/zinc/66/22/75/568662275.db2.gz NSUIXSPDXYNSQD-MTJSOVHGSA-N 0 0 427.591 5.537 50 10 IKCARN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC1=S ZINC000001163140 568664621 /nfs/dbraw/zinc/66/46/21/568664621.db2.gz DATUENAMBLGWJT-BOPFTXTBSA-N 0 0 434.380 5.249 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001164348 568664678 /nfs/dbraw/zinc/66/46/78/568664678.db2.gz VFQGMSDMQUARJT-IIMQCXAKSA-N 0 0 425.604 5.601 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 ZINC000001206363 568737116 /nfs/dbraw/zinc/73/71/16/568737116.db2.gz HAVSHCATMXTJOJ-WQRHYEAKSA-N 0 0 442.905 5.914 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCc1ccccc1 ZINC000001213841 568739198 /nfs/dbraw/zinc/73/91/98/568739198.db2.gz CRBYLYMBTMGTHZ-ZHZULCJRSA-N 0 0 436.514 5.299 50 10 IKCARN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085649 568747335 /nfs/dbraw/zinc/74/73/35/568747335.db2.gz VMXHISGFNNOKIR-UHFFFAOYSA-N 0 0 430.371 5.372 50 10 IKCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000044086266 568747200 /nfs/dbraw/zinc/74/72/00/568747200.db2.gz CZZVYIXERHTKKX-UHFFFAOYSA-N 0 0 433.964 5.983 50 10 IKCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccccc2)cc1 ZINC000044086292 568747415 /nfs/dbraw/zinc/74/74/15/568747415.db2.gz LHAZENIRHUWBKF-UHFFFAOYSA-N 0 0 443.572 5.646 50 10 IKCARN Brc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccco2)cc1 ZINC000044086238 568747556 /nfs/dbraw/zinc/74/75/56/568747556.db2.gz AGFUAQIHJPCTDZ-UHFFFAOYSA-N 0 0 425.351 6.246 50 10 IKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000044086197 568747560 /nfs/dbraw/zinc/74/75/60/568747560.db2.gz RRHIDCGSTCSWGH-UHFFFAOYSA-N 0 0 437.952 5.884 50 10 IKCARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000003768784 568754438 /nfs/dbraw/zinc/75/44/38/568754438.db2.gz JHEUFDMKFHIXKL-WMRWHDLOSA-N 0 0 427.591 5.895 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)CC ZINC000003769071 568754461 /nfs/dbraw/zinc/75/44/61/568754461.db2.gz ZMRQMEOEDNFWLD-NIZGNDASSA-N 0 0 441.618 6.285 50 10 IKCARN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000003768780 568754462 /nfs/dbraw/zinc/75/44/62/568754462.db2.gz NLYPUHFIWLCMDF-BUVRLJJBSA-N 0 0 445.609 6.597 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)CC ZINC000003769069 568754463 /nfs/dbraw/zinc/75/44/63/568754463.db2.gz ZMRQMEOEDNFWLD-FEMWLQECSA-N 0 0 441.618 6.285 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC ZINC000003768836 568754468 /nfs/dbraw/zinc/75/44/68/568754468.db2.gz SWGJWFJCQOZXDA-XDHOZWIPSA-N 0 0 448.009 6.160 50 10 IKCARN COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000004062905 568760062 /nfs/dbraw/zinc/76/00/62/568760062.db2.gz VSNYNWKZXCVVPL-SLSDLSHTSA-N 0 0 430.935 6.427 50 10 IKCARN CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000001254980 568775208 /nfs/dbraw/zinc/77/52/08/568775208.db2.gz UOPGTZWBVZVMHJ-UYRXBGFRSA-N 0 0 437.542 5.572 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(F)c1 ZINC000001262419 568775468 /nfs/dbraw/zinc/77/54/68/568775468.db2.gz KTCQRLIQEHTCQD-LWZSUBOQSA-N 0 0 426.538 5.002 50 10 IKCARN Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)ccc1OC(C)C ZINC000001296592 568778780 /nfs/dbraw/zinc/77/87/80/568778780.db2.gz KFYIFMFAWHQPLY-NDENLUEZSA-N 0 0 435.574 5.535 50 10 IKCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000001311706 568779413 /nfs/dbraw/zinc/77/94/13/568779413.db2.gz FBJGXFMKSARUPI-XNTDXEJSSA-N 0 0 441.361 5.207 50 10 IKCARN CCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000001310278 568779415 /nfs/dbraw/zinc/77/94/15/568779415.db2.gz BPVKCROQYPSVMS-UHFFFAOYSA-N 0 0 439.151 5.289 50 10 IKCARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 ZINC000001414926 568790616 /nfs/dbraw/zinc/79/06/16/568790616.db2.gz XFRLTKHSCUWCDP-UHFFFAOYSA-N 0 0 435.911 5.540 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1cccc(F)c1 ZINC000001465501 568820283 /nfs/dbraw/zinc/82/02/83/568820283.db2.gz CHJKEYKBVFEJFN-UHFFFAOYSA-N 0 0 425.554 5.830 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000001505717 568834189 /nfs/dbraw/zinc/83/41/89/568834189.db2.gz KKSLIRVSZRAYGP-UHFFFAOYSA-N 0 0 436.309 5.576 50 10 IKCARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000022146463 568837152 /nfs/dbraw/zinc/83/71/52/568837152.db2.gz XKVSHNLQIOZNHH-LGVFNWMJSA-N 0 0 445.906 6.327 50 10 IKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 ZINC000111442469 568837342 /nfs/dbraw/zinc/83/73/42/568837342.db2.gz BLUIHVLQEBVNNN-VHSZZVNMSA-N 0 0 425.528 6.269 50 10 IKCARN O=C1c2ccccc2C(=O)c2cc3cc4c(cc3cc21)C1c2ccccc2C4c2ccccc21 ZINC000004552068 568842037 /nfs/dbraw/zinc/84/20/37/568842037.db2.gz CNDALMPGSRLLBZ-UHFFFAOYSA-N 0 0 434.494 6.602 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000015836902 568843838 /nfs/dbraw/zinc/84/38/38/568843838.db2.gz OMBDFWMFLVOCCK-TUKHXMGSSA-N 0 0 439.544 5.070 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363128 568866380 /nfs/dbraw/zinc/86/63/80/568866380.db2.gz PZCUTXVCEGUPQG-YIXXDRMTSA-N 0 0 446.547 5.421 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362952 568866454 /nfs/dbraw/zinc/86/64/54/568866454.db2.gz UJKSUESWRWBMQY-GGAORHGYSA-N 0 0 437.337 5.386 50 10 IKCARN COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363339 568866579 /nfs/dbraw/zinc/86/65/79/568866579.db2.gz NFHPFWJZHOBQBV-GMAHTHKFSA-N 0 0 427.331 5.930 50 10 IKCARN COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363340 568866583 /nfs/dbraw/zinc/86/65/83/568866583.db2.gz KSGPNRNCZNNXLW-FYYLOGMGSA-N 0 0 437.337 5.386 50 10 IKCARN COc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363402 568866594 /nfs/dbraw/zinc/86/65/94/568866594.db2.gz BELSYEXBRQMBIE-GGAORHGYSA-N 0 0 437.337 5.386 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363468 568866696 /nfs/dbraw/zinc/86/66/96/568866696.db2.gz UBRBQWJWTXYKPE-IFMALSPDSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363938 568866770 /nfs/dbraw/zinc/86/67/70/568866770.db2.gz IQUBAFHBMQDCMU-ZJSXRUAMSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3C)N2)c1O ZINC000053364062 568866778 /nfs/dbraw/zinc/86/67/78/568866778.db2.gz MGAMIBGLZMRTJA-LBNVMWSVSA-N 0 0 428.576 6.193 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364137 568866802 /nfs/dbraw/zinc/86/68/02/568866802.db2.gz QQZOYEFPKOLNDN-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN COC(=O)c1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Cl)ccc3O)N2)cc1 ZINC000053364655 568866804 /nfs/dbraw/zinc/86/68/04/568866804.db2.gz MNMDESKCUPUODS-LADGPHEKSA-N 0 0 434.923 5.363 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363994 568866808 /nfs/dbraw/zinc/86/68/08/568866808.db2.gz ROCJHQMCWKHAER-ZEQKJWHPSA-N 0 0 434.511 5.551 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3C)N2)c1O ZINC000053363971 568866829 /nfs/dbraw/zinc/86/68/29/568866829.db2.gz XPTZKBJWHWMSEK-ZEQKJWHPSA-N 0 0 434.967 6.284 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363603 568866873 /nfs/dbraw/zinc/86/68/73/568866873.db2.gz CIDRZNDAZISVBJ-NFBKMPQASA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364140 568866921 /nfs/dbraw/zinc/86/69/21/568866921.db2.gz QQZOYEFPKOLNDN-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3OCC)N2)c1O ZINC000053364418 568866927 /nfs/dbraw/zinc/86/69/27/568866927.db2.gz TVJMNNXMASTRCB-WNCULLNHSA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363945 568866931 /nfs/dbraw/zinc/86/69/31/568866931.db2.gz IQUBAFHBMQDCMU-URXFXBBRSA-N 0 0 441.358 6.320 50 10 IKCARN CCc1ccc(C2=N[C@H](c3cccnc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364888 568867024 /nfs/dbraw/zinc/86/70/24/568867024.db2.gz FKXBSPNSQDPGIL-GGAORHGYSA-N 0 0 436.353 5.335 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364877 568867124 /nfs/dbraw/zinc/86/71/24/568867124.db2.gz JGVXUDRJFBAANG-VWNXMTODSA-N 0 0 441.358 6.320 50 10 IKCARN COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364855 568867127 /nfs/dbraw/zinc/86/71/27/568867127.db2.gz OACJIYZHCYNRCN-FYYLOGMGSA-N 0 0 427.331 5.930 50 10 IKCARN CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N12 ZINC000016213425 568873064 /nfs/dbraw/zinc/87/30/64/568873064.db2.gz VPJYBQMHZZIKTB-OOFGAGLLSA-N 0 0 427.888 5.225 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000006194057 568876620 /nfs/dbraw/zinc/87/66/20/568876620.db2.gz RNGIVYLKBRLNGH-JXHRLWIKSA-N 0 0 437.324 6.579 50 10 IKCARN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000006353583 568893338 /nfs/dbraw/zinc/89/33/38/568893338.db2.gz JRHXVNDHWRCULP-DJKKODMXSA-N 0 0 447.412 6.218 50 10 IKCARN CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1 ZINC000006417494 568894294 /nfs/dbraw/zinc/89/42/94/568894294.db2.gz NLELBJMXLVRQLV-HTAPYJJXSA-N 0 0 425.642 6.564 50 10 IKCARN Cc1cc(/C=C2\c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033039479 568896037 /nfs/dbraw/zinc/89/60/37/568896037.db2.gz JLWRNFTVVUDBFK-MTDXEUNCSA-N 0 0 446.550 6.439 50 10 IKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21)CC(C)C ZINC000001747714 568904155 /nfs/dbraw/zinc/90/41/55/568904155.db2.gz HCIUNUMJMGQVIP-UHFFFAOYSA-N 0 0 447.497 6.298 50 10 biogenic IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21 ZINC000001747726 568904167 /nfs/dbraw/zinc/90/41/67/568904167.db2.gz HNVPYDDZMTZRHV-UHFFFAOYSA-N 0 0 425.834 5.680 50 10 IKCARN O=C1c2cc3ccccc3cc2C(=O)[C@@H]2C[C@@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@H]3C[C@@H]12 ZINC000101094108 568904946 /nfs/dbraw/zinc/90/49/46/568904946.db2.gz RSFWPFAWCIUFIO-YOXCBORPSA-N 0 0 444.486 5.710 50 10 IKCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccccc1Br ZINC000001774438 568906281 /nfs/dbraw/zinc/90/62/81/568906281.db2.gz OMMKZQDOMZFSRC-QHCPKHFHSA-N 0 0 432.317 5.827 50 10 IKCARN Cc1cc(N[C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 ZINC000001796245 568908210 /nfs/dbraw/zinc/90/82/10/568908210.db2.gz DBNBCVVSGQMOIV-XMMPIXPASA-N 0 0 435.612 6.551 50 10 IKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000001806754 568908705 /nfs/dbraw/zinc/90/87/05/568908705.db2.gz JMLUPROYLRHOAT-WQRHYEAKSA-N 0 0 437.417 6.245 50 10 IKCARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000001831922 568915938 /nfs/dbraw/zinc/91/59/38/568915938.db2.gz XSVWZDTVEWIFKJ-GDLZYMKVSA-N 0 0 444.619 6.111 50 10 biogenic IKCARN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000001832195 568915961 /nfs/dbraw/zinc/91/59/61/568915961.db2.gz JZPBETXWKQJPAE-UCQKPKSFSA-N 0 0 444.556 6.235 50 10 IKCARN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1 ZINC000001912458 568922320 /nfs/dbraw/zinc/92/23/20/568922320.db2.gz JUOFCHOFXUCTHJ-HKWRFOASSA-N 0 0 441.574 5.448 50 10 IKCARN CC1CCC(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CC[C@@H](C)C4)cc2)CC1 ZINC000006782094 568985212 /nfs/dbraw/zinc/98/52/12/568985212.db2.gz OPUHVIRCDDHODI-YOOZRZFBSA-N 0 0 426.604 6.578 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)C1 ZINC000006782096 568985288 /nfs/dbraw/zinc/98/52/88/568985288.db2.gz CHWPIYMLBVFBHN-YZIHRLCOSA-N 0 0 426.604 6.578 50 10 IKCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)CCc1ccccc1 ZINC000036358644 569085260 /nfs/dbraw/zinc/08/52/60/569085260.db2.gz PVNDDJHMDRHMNJ-UHFFFAOYSA-N 0 0 440.547 5.027 50 10 IKCARN CCN(CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1)c1cccc(C)c1 ZINC000006877892 569096239 /nfs/dbraw/zinc/09/62/39/569096239.db2.gz DSLCTNMUHYQBMP-UHFFFAOYSA-N 0 0 429.608 5.619 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1cccc(C)c1)c1ccccc1 ZINC000065080298 569101380 /nfs/dbraw/zinc/10/13/80/569101380.db2.gz LXRVPMNVVYJNDO-UHFFFAOYSA-N 0 0 439.515 5.247 50 10 IKCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153781 569112115 /nfs/dbraw/zinc/11/21/15/569112115.db2.gz HGAXDRJJZQKBLK-UHFFFAOYSA-N 0 0 449.558 5.126 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 ZINC000006973748 569114772 /nfs/dbraw/zinc/11/47/72/569114772.db2.gz JVHCZMKKSCMWBK-JCMHNJIXSA-N 0 0 433.554 5.680 50 10 IKCARN O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccccc1 ZINC000007018713 569118854 /nfs/dbraw/zinc/11/88/54/569118854.db2.gz OUNCEWHIGDFYQI-HYARGMPZSA-N 0 0 435.545 5.806 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(Br)cc1OC(C)C ZINC000013914244 569157268 /nfs/dbraw/zinc/15/72/68/569157268.db2.gz CPRYREMEAKAQNP-VCHYOVAHSA-N 0 0 443.341 5.359 50 10 IKCARN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000014186279 569158006 /nfs/dbraw/zinc/15/80/06/569158006.db2.gz UPFVOOAXTZUYRN-DPLHUUCSSA-N 0 0 432.907 6.654 50 10 IKCARN Cc1ccc(COc2ccc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000014186272 569158041 /nfs/dbraw/zinc/15/80/41/569158041.db2.gz OHVBKSMMCGXVLP-KHVXQDHOSA-N 0 0 426.516 6.617 50 10 IKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 ZINC000002075832 569177121 /nfs/dbraw/zinc/17/71/21/569177121.db2.gz BLUIHVLQEBVNNN-LOYIFYEOSA-N 0 0 425.528 6.269 50 10 IKCARN COc1ccc2c3ccc(OCC(=O)c4c(C)n(C)c5ccccc54)c(C)c3oc(=O)c2c1 ZINC000002091791 569178700 /nfs/dbraw/zinc/17/87/00/569178700.db2.gz KWKSZJHALRBHKC-UHFFFAOYSA-N 0 0 441.483 5.325 50 10 biogenic IKCARN CCOc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000002112753 569182130 /nfs/dbraw/zinc/18/21/30/569182130.db2.gz BDDKAJPDNHOOTB-UHFFFAOYSA-N 0 0 429.472 5.224 50 10 biogenic IKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000252429280 569183356 /nfs/dbraw/zinc/18/33/56/569183356.db2.gz RSJQWCMCXATOCP-UHFFFAOYSA-N 0 0 434.521 5.139 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C1CCCC1 ZINC000002533128 569185738 /nfs/dbraw/zinc/18/57/38/569185738.db2.gz JADPIPLSPVBREE-QNGOZBTKSA-N 0 0 431.586 5.683 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000002195993 569191337 /nfs/dbraw/zinc/19/13/37/569191337.db2.gz UGKGVXJOHGRZRU-MOSHPQCFSA-N 0 0 435.574 5.077 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1 ZINC000002208011 569193828 /nfs/dbraw/zinc/19/38/28/569193828.db2.gz XMXNXZPMWNMQTP-LICLKQGHSA-N 0 0 435.448 5.960 50 10 IKCARN O=C(Cc1ccccc1)Nc1ccc(N=Nc2ccccc2)c(NC(=O)Cc2ccccc2)c1 ZINC000252640911 569209289 /nfs/dbraw/zinc/20/92/89/569209289.db2.gz YXZKLXSFCLJASI-UHFFFAOYSA-N 0 0 448.526 6.464 50 10 IKCARN Cn1c2cc(Br)ccc2nc1N=Nc1c2ccccc2n(C)c1-c1ccccc1 ZINC000252641522 569209371 /nfs/dbraw/zinc/20/93/71/569209371.db2.gz ZEEUIUYOISINRC-UHFFFAOYSA-N 0 0 444.336 6.910 50 10 IKCARN CCCCCOc1ccc(C2(Cc3nc4ccccc4[nH]3)C(=O)c3ccccc3C2=O)cc1 ZINC000027439196 569213709 /nfs/dbraw/zinc/21/37/09/569213709.db2.gz PVHFLFXXSBCWFA-UHFFFAOYSA-N 0 0 438.527 5.692 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 ZINC000002258365 569215497 /nfs/dbraw/zinc/21/54/97/569215497.db2.gz MOPZKPQQXSWQRZ-QNGOZBTKSA-N 0 0 449.601 5.549 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000002262476 569215908 /nfs/dbraw/zinc/21/59/08/569215908.db2.gz GOKGPACYOOXYIY-CTFRJJSNSA-N 0 0 444.578 6.272 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000027499272 569216413 /nfs/dbraw/zinc/21/64/13/569216413.db2.gz RNGIVYLKBRLNGH-QMHWCDLVSA-N 0 0 437.324 6.579 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000027499278 569216432 /nfs/dbraw/zinc/21/64/32/569216432.db2.gz RNGIVYLKBRLNGH-KKLQWCBXSA-N 0 0 437.324 6.579 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 ZINC000027499747 569216521 /nfs/dbraw/zinc/21/65/21/569216521.db2.gz FEUCSBFVUCVNQY-ODLFYWEKSA-N 0 0 445.487 6.273 50 10 IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000027519434 569217948 /nfs/dbraw/zinc/21/79/48/569217948.db2.gz UUNDPIMSSZBLAL-SFQUDFHCSA-N 0 0 437.282 6.373 50 10 IKCARN CCCCN1C(=O)/C(=C/C=C2/Oc3ccccc3N2CCc2ccccc2)SC1=S ZINC000027520466 569218038 /nfs/dbraw/zinc/21/80/38/569218038.db2.gz MPSYMVGPHKMLFG-VOKWCDJLSA-N 0 0 436.602 5.514 50 10 IKCARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3cccc(F)c3)C2=O)cc1OC ZINC000027521610 569218183 /nfs/dbraw/zinc/21/81/83/569218183.db2.gz INUOCLIVKJMIJY-NDENLUEZSA-N 0 0 436.870 5.331 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)N=C2c2cccc(Cl)c2)cc1 ZINC000027522214 569253665 /nfs/dbraw/zinc/25/36/65/569253665.db2.gz AKKSFVSMNXJMBR-FYJGNVAPSA-N 0 0 433.851 5.091 50 10 IKCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C(c2cccc(Cl)c2)N1c1ccc(F)cc1F ZINC000027522267 569253794 /nfs/dbraw/zinc/25/37/94/569253794.db2.gz XPLHMUFIMUJHKJ-VXLYETTFSA-N 0 0 439.805 5.361 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)cc1 ZINC000026772096 569257480 /nfs/dbraw/zinc/25/74/80/569257480.db2.gz LKOHGFCXPAZGDV-FPNNDXFKSA-N 0 0 434.624 5.360 50 10 biogenic IKCARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)o1 ZINC000027531208 569265902 /nfs/dbraw/zinc/26/59/02/569265902.db2.gz QTVFPOTVHPVPHJ-UHFFFAOYSA-N 0 0 435.482 5.223 50 10 IKCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000027534722 569267764 /nfs/dbraw/zinc/26/77/64/569267764.db2.gz PZBMBEHFOATJAZ-PXLXIMEGSA-N 0 0 434.948 5.927 50 10 IKCARN Cc1cccc(Oc2cc(Oc3cccc(C)c3)c3c4c2noc4-c2ccccc2C3=O)c1 ZINC000002296756 569268253 /nfs/dbraw/zinc/26/82/53/569268253.db2.gz KKSZKKRCOLRITO-UHFFFAOYSA-N 0 0 433.463 7.241 50 10 IKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1 ZINC000239309789 569268776 /nfs/dbraw/zinc/26/87/76/569268776.db2.gz HVUGFBRDTPAFJP-REWPJTCUSA-N 0 0 441.314 5.950 50 10 IKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1 ZINC000239309787 569268825 /nfs/dbraw/zinc/26/88/25/569268825.db2.gz HVUGFBRDTPAFJP-OFNKIYASSA-N 0 0 441.314 5.950 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239347346 569268859 /nfs/dbraw/zinc/26/88/59/569268859.db2.gz MTOGYYHZWXZMBK-PDLBJYQGSA-N 0 0 442.515 5.666 50 10 IKCARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)c1 ZINC000248046409 569270346 /nfs/dbraw/zinc/27/03/46/569270346.db2.gz MJNBPQFGXZARHX-NOZRDPDXSA-N 0 0 433.939 5.657 50 10 IKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Cl ZINC000002303824 569271531 /nfs/dbraw/zinc/27/15/31/569271531.db2.gz SNSJXXPQJQPBJT-WJDWOHSUSA-N 0 0 437.373 5.223 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000027549231 569271884 /nfs/dbraw/zinc/27/18/84/569271884.db2.gz INBZCDDOKAVWOE-LCQIMXFNSA-N 0 0 446.919 5.462 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1 ZINC000002332896 569274702 /nfs/dbraw/zinc/27/47/02/569274702.db2.gz IIQIYHMDZIXVEC-UHFFFAOYSA-N 0 0 433.426 5.179 50 10 biogenic IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1cccnc1 ZINC000334157344 569285679 /nfs/dbraw/zinc/28/56/79/569285679.db2.gz KCAUQVXILGURPS-OMDQEHPVSA-N 0 0 429.461 5.093 50 10 IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1ccncc1 ZINC000334157341 569285713 /nfs/dbraw/zinc/28/57/13/569285713.db2.gz DNBUJNIKIDDXGH-OMDQEHPVSA-N 0 0 429.461 5.093 50 10 IKCARN O=C(N=NC=C1SC(=O)N=C1N1C=CC(C(=O)c2ccccc2)=CC1)c1ccccc1 ZINC000334157350 569285733 /nfs/dbraw/zinc/28/57/33/569285733.db2.gz XBLVSXCXXQVUGK-RTIGKECSSA-N 0 0 428.473 5.698 50 10 IKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2c2ccc(C)cc2)cc1 ZINC000002366480 569288432 /nfs/dbraw/zinc/28/84/32/569288432.db2.gz SLBQXFCHXRLJPA-PLRJNAJWSA-N 0 0 441.600 6.020 50 10 IKCARN Cn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000002426448 569302484 /nfs/dbraw/zinc/30/24/84/569302484.db2.gz XBIGMQIORORRDX-YVLHZVERSA-N 0 0 429.364 5.347 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@@H+]2CCCC[C@H]2C)c1[O-] ZINC000011869535 569303121 /nfs/dbraw/zinc/30/31/21/569303121.db2.gz BTPBRWYLFXBRFQ-MRXNPFEDSA-N 0 0 445.563 5.298 50 10 IKCARN COc1ccc(-c2c(=O)c3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000011868481 569303139 /nfs/dbraw/zinc/30/31/39/569303139.db2.gz ITOCXIODVQCZRM-UHFFFAOYSA-N 0 0 447.453 5.425 50 10 IKCARN COC(=O)c1nn(-c2ccccc2)c(=O)c(/N=N\c2cccc(C(F)(F)F)c2)c1Cl ZINC000012950840 569305151 /nfs/dbraw/zinc/30/51/51/569305151.db2.gz SOGZSFGTHMGKMZ-IZHYLOQSSA-N 0 0 436.777 5.107 50 10 IKCARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013017201 569307135 /nfs/dbraw/zinc/30/71/35/569307135.db2.gz GMSRVHULTIHZRR-RFUMYBEHSA-N 0 0 436.436 5.576 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1C1CCCC1 ZINC000013073947 569309070 /nfs/dbraw/zinc/30/90/70/569309070.db2.gz PUMQUNAGCZLHSB-YVLHZVERSA-N 0 0 434.926 5.652 50 10 IKCARN COc1ccc(NC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 ZINC000013117169 569310877 /nfs/dbraw/zinc/31/08/77/569310877.db2.gz LBSIPRJLQJGLNP-OEAKJJBVSA-N 0 0 431.561 5.802 50 10 IKCARN CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000013117249 569311021 /nfs/dbraw/zinc/31/10/21/569311021.db2.gz FYULRXGSMAAGBI-UHFFFAOYSA-N 0 0 427.501 5.896 50 10 IKCARN O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O ZINC000013306711 569312889 /nfs/dbraw/zinc/31/28/89/569312889.db2.gz JLHCSKAWTLMLIG-QVIHXGFCSA-N 0 0 446.466 6.155 50 10 IKCARN CCCC[N@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc21 ZINC000019793043 569329435 /nfs/dbraw/zinc/32/94/35/569329435.db2.gz NJPHICWAMABCMM-UHFFFAOYSA-N 0 0 449.469 6.104 50 10 IKCARN CN(C)c1ccc(/C=C\CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000019815797 569329884 /nfs/dbraw/zinc/32/98/84/569329884.db2.gz XPSZFIULZVENTR-ARJAWSKDSA-N 0 0 447.573 5.451 50 10 IKCARN CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000020036300 569332751 /nfs/dbraw/zinc/33/27/51/569332751.db2.gz WQVCVMBCRZAGDX-LPYMAVHISA-N 0 0 435.911 5.244 50 10 IKCARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070701 569333450 /nfs/dbraw/zinc/33/34/50/569333450.db2.gz GGBCREULTAGHTC-YADARESESA-N 0 0 436.895 5.305 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)c1 ZINC000020070921 569333573 /nfs/dbraw/zinc/33/35/73/569333573.db2.gz MLMLIWQQSBSMMR-WIYYLYMNSA-N 0 0 441.350 5.767 50 10 IKCARN Oc1c([C@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)cc(Cl)c2cccnc12 ZINC000020192794 569355794 /nfs/dbraw/zinc/35/57/94/569355794.db2.gz SCQQYALPWAEOLD-XMMPIXPASA-N 0 0 448.929 5.040 50 10 IKCARN N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000020238728 569357568 /nfs/dbraw/zinc/35/75/68/569357568.db2.gz SKVUQJDORGERJJ-SLWLXCFBSA-N 0 0 436.562 5.372 50 10 IKCARN CN1CCN([C@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2O)CC1 ZINC000020265763 569358615 /nfs/dbraw/zinc/35/86/15/569358615.db2.gz JCEPSTIDMNPORW-HXUWFJFHSA-N 0 0 436.770 5.237 50 10 IKCARN CN1CCN([C@@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2O)CC1 ZINC000020265760 569358672 /nfs/dbraw/zinc/35/86/72/569358672.db2.gz JCEPSTIDMNPORW-FQEVSTJZSA-N 0 0 436.770 5.237 50 10 IKCARN COc1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3nc4Cl)CC2)cc1 ZINC000020286115 569359070 /nfs/dbraw/zinc/35/90/70/569359070.db2.gz NYYWLMNEOWDDTP-UHFFFAOYSA-N 0 0 437.952 5.074 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1 ZINC000020324602 569360335 /nfs/dbraw/zinc/36/03/35/569360335.db2.gz YZSYDJSAQAKYSP-PDGQHHTCSA-N 0 0 444.002 6.631 50 10 IKCARN COc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 ZINC000020324942 569360399 /nfs/dbraw/zinc/36/03/99/569360399.db2.gz CXPNMOGQYOQCEU-UYRXBGFRSA-N 0 0 439.583 5.986 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C2=N)S1 ZINC000080348109 569363243 /nfs/dbraw/zinc/36/32/43/569363243.db2.gz CBZLEZKPRBPUDJ-NJOZZACWSA-N 0 0 425.945 5.085 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c(C[NH+](C)C)c1[O-] ZINC000020395249 569363446 /nfs/dbraw/zinc/36/34/46/569363446.db2.gz AMMYPDPRRHQRTJ-UHFFFAOYSA-N 0 0 448.466 5.418 50 10 IKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000002512806 569407070 /nfs/dbraw/zinc/40/70/70/569407070.db2.gz RWYCNUXYYDFBSO-CYBMUJFWSA-N 0 0 425.282 5.580 50 10 IKCARN CCN(CC)c1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 ZINC000002632521 569412514 /nfs/dbraw/zinc/41/25/14/569412514.db2.gz BXNGXGUAFGQGAH-UHFFFAOYSA-N 0 0 449.501 5.472 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc3ccccn32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002644346 569414024 /nfs/dbraw/zinc/41/40/24/569414024.db2.gz NRCKNAAPFMXULJ-HNNXBMFYSA-N 0 0 442.491 5.102 50 10 IKCARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002662753 569416219 /nfs/dbraw/zinc/41/62/19/569416219.db2.gz AAUPODPIPNNAJQ-UHFFFAOYSA-N 0 0 439.418 5.007 50 10 IKCARN O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1 ZINC000002700563 569417333 /nfs/dbraw/zinc/41/73/33/569417333.db2.gz PASKDXDOSGFEEU-LGMDPLHJSA-N 0 0 434.583 5.288 50 10 IKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000002822696 569423122 /nfs/dbraw/zinc/42/31/22/569423122.db2.gz UYLMYXDGBGSVLE-QNGOZBTKSA-N 0 0 431.538 5.307 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC3CCCCCC3)c2)c1C ZINC000002929017 569425978 /nfs/dbraw/zinc/42/59/78/569425978.db2.gz UFXOPUAATXICAW-UHFFFAOYSA-N 0 0 444.575 6.082 50 10 IKCARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000002938331 569426449 /nfs/dbraw/zinc/42/64/49/569426449.db2.gz DURJTPUXLPJOST-HAHDFKILSA-N 0 0 447.581 5.676 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Cl)c1O ZINC000002938595 569426523 /nfs/dbraw/zinc/42/65/23/569426523.db2.gz WLUAXUMSEQXJKH-QPEQYQDCSA-N 0 0 445.224 5.446 50 10 IKCARN Cc1ccc(C)n1-c1cccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)c1 ZINC000002940033 569426632 /nfs/dbraw/zinc/42/66/32/569426632.db2.gz FYKUPIPDHOCBBK-UHFFFAOYSA-N 0 0 448.522 6.428 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000003209502 569441729 /nfs/dbraw/zinc/44/17/29/569441729.db2.gz RPDHOZQPGAOTRJ-UHFFFAOYSA-N 0 0 438.556 5.779 50 10 IKCARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000003245961 569442768 /nfs/dbraw/zinc/44/27/68/569442768.db2.gz REUYYMJEEGXLMG-XORNHQRDSA-N 0 0 429.532 5.394 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003292009 569444466 /nfs/dbraw/zinc/44/44/66/569444466.db2.gz SASMOQRLJTVHOB-UHFFFAOYSA-N 0 0 435.373 5.013 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1-c1ccccc1F ZINC000003299117 569444910 /nfs/dbraw/zinc/44/49/10/569444910.db2.gz RSVIMERHKSEISG-UHFFFAOYSA-N 0 0 434.540 5.156 50 10 IKCARN Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003302629 569445134 /nfs/dbraw/zinc/44/51/34/569445134.db2.gz AQTVQLWGAZPSBR-UHFFFAOYSA-N 0 0 445.487 5.442 50 10 IKCARN CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 ZINC000003338475 569446742 /nfs/dbraw/zinc/44/67/42/569446742.db2.gz WVVAPKFVLDEHTN-UHFFFAOYSA-N 0 0 443.446 5.134 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](c3cccs3)N2)c1O ZINC000058083292 569446862 /nfs/dbraw/zinc/44/68/62/569446862.db2.gz KXGWTCMRQLGIFB-UWJYYQICSA-N 0 0 443.366 5.447 50 10 IKCARN CCCCCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nc2ccccc2s1 ZINC000003344284 569447063 /nfs/dbraw/zinc/44/70/63/569447063.db2.gz KAIRJHGFSVPXHH-UHFFFAOYSA-N 0 0 431.605 6.931 50 10 IKCARN Cc1cc(C(=O)CSCc2ccccc2C)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000003423403 569450505 /nfs/dbraw/zinc/45/05/05/569450505.db2.gz FMPHPGLZDOMSQF-UHFFFAOYSA-N 0 0 433.495 6.417 50 10 IKCARN Cc1cc(C(=O)COC(=O)CSCc2c(C)noc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000003448455 569451523 /nfs/dbraw/zinc/45/15/23/569451523.db2.gz OOOPTCXOANFSLA-UHFFFAOYSA-N 0 0 446.956 5.012 50 10 IKCARN Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003450473 569451636 /nfs/dbraw/zinc/45/16/36/569451636.db2.gz KMIUQKHKERSCRD-UHFFFAOYSA-N 0 0 436.468 5.517 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(OC)c3)[C@@H](C)CC)ccc21 ZINC000003585502 569454433 /nfs/dbraw/zinc/45/44/33/569454433.db2.gz LHUUFXUGXVEHTA-FQEVSTJZSA-N 0 0 439.669 6.245 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(SC)c3)[C@H](C)CC)ccc21 ZINC000003585185 569454452 /nfs/dbraw/zinc/45/44/52/569454452.db2.gz PVEQNLJUYRLMNL-LJQANCHMSA-N 0 0 441.710 6.569 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3C)[C@@H](C)CC)ccc21 ZINC000003585165 569454481 /nfs/dbraw/zinc/45/44/81/569454481.db2.gz AISIGSGFGXKHQY-SFHVURJKSA-N 0 0 444.088 6.809 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1cccc(F)c1)cc3N1CCCCCC1 ZINC000003665766 569455962 /nfs/dbraw/zinc/45/59/62/569455962.db2.gz VOBCFOZYPAMPQQ-UHFFFAOYSA-N 0 0 427.479 6.302 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1C ZINC000003768672 569456416 /nfs/dbraw/zinc/45/64/16/569456416.db2.gz KEWRHGRYDNPNNW-IWIPYMOSSA-N 0 0 425.578 7.016 50 10 IKCARN CN(C)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000004083396 569458711 /nfs/dbraw/zinc/45/87/11/569458711.db2.gz LPNQFQYLJUIJDJ-UZAWYRGQSA-N 0 0 437.308 5.023 50 10 IKCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2OCc2ccccc2)ccc2cccnc21 ZINC000008432524 569464268 /nfs/dbraw/zinc/46/42/68/569464268.db2.gz RQWRNOPXFUSWKH-HHHXNRCGSA-N 0 0 433.511 6.116 50 10 IKCARN Oc1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@](O)(C(F)(F)F)C1 ZINC000008711396 569470997 /nfs/dbraw/zinc/47/09/97/569470997.db2.gz MHQQUTDABPLFII-SFHVURJKSA-N 0 0 439.846 5.034 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000008722146 569471747 /nfs/dbraw/zinc/47/17/47/569471747.db2.gz WSJHTOUFMFALKB-WUVMMTAUSA-N 0 0 447.347 5.919 50 10 IKCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)cc1 ZINC000008726042 569472252 /nfs/dbraw/zinc/47/22/52/569472252.db2.gz VDHHZEWCHJBTOC-UHFFFAOYSA-N 0 0 436.581 5.272 50 10 IKCARN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@H+](C)Cc4ccccc4)c3oc2=O)c(OC)c1 ZINC000008769004 569475025 /nfs/dbraw/zinc/47/50/25/569475025.db2.gz MHASVPYIKQZVJJ-UHFFFAOYSA-N 0 0 445.515 5.123 50 10 biogenic IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1ccncc1)C[C@@H](C)CC2 ZINC000008814315 569476723 /nfs/dbraw/zinc/47/67/23/569476723.db2.gz VTZYLLAZRHAKAF-AWEZNQCLSA-N 0 0 441.984 5.794 50 10 IKCARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)o2)cc1 ZINC000008825064 569477278 /nfs/dbraw/zinc/47/72/78/569477278.db2.gz QGXRWYMEVOIEEI-UHFFFAOYSA-N 0 0 449.532 5.136 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1Cl ZINC000008843399 569478468 /nfs/dbraw/zinc/47/84/68/569478468.db2.gz NWWJQBAONRGTMC-UHFFFAOYSA-N 0 0 441.940 5.314 50 10 IKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 ZINC000008845888 569478940 /nfs/dbraw/zinc/47/89/40/569478940.db2.gz RPYBAPUHUSUACY-UHFFFAOYSA-N 0 0 434.458 5.602 50 10 IKCARN COc1c(Cl)cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000008846008 569479025 /nfs/dbraw/zinc/47/90/25/569479025.db2.gz JUYNZKXUVYOVCH-UHFFFAOYSA-N 0 0 433.335 5.504 50 10 IKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000008856164 569479721 /nfs/dbraw/zinc/47/97/21/569479721.db2.gz JLVJPTTYWLYEMW-XDHOZWIPSA-N 0 0 435.867 5.931 50 10 IKCARN Cc1ccc(N=NNc2ccc(NC3CCCCC3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000008856493 569479795 /nfs/dbraw/zinc/47/97/95/569479795.db2.gz FRPVKDYERHFZMD-UHFFFAOYSA-N 0 0 438.531 6.626 50 10 IKCARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3cccc1c23 ZINC000008871953 569480909 /nfs/dbraw/zinc/48/09/09/569480909.db2.gz ZLQYAKAMELZSDB-OCEACIFDSA-N 0 0 428.473 5.622 50 10 IKCARN CN(C)c1ccc(/C=C2/SC(=S)N(CNc3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000008872869 569481004 /nfs/dbraw/zinc/48/10/04/569481004.db2.gz YWSVCMSAGCARMP-XQNSMLJCSA-N 0 0 445.613 5.690 50 10 IKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCc2ccccc2C1 ZINC000008911566 569484835 /nfs/dbraw/zinc/48/48/35/569484835.db2.gz YNTIZKCPYFYUOU-UHFFFAOYSA-N 0 0 432.567 6.222 50 10 IKCARN CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000008918634 569486364 /nfs/dbraw/zinc/48/63/64/569486364.db2.gz PRULTHQJMVFROH-MDOVXXIYSA-N 0 0 445.313 5.591 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(C[N@@H+]2CCCC(C)(C)C2)c1[O-] ZINC000008964574 569491251 /nfs/dbraw/zinc/49/12/51/569491251.db2.gz IUFYMYYNJLQFDK-UHFFFAOYSA-N 0 0 445.563 5.237 50 10 biogenic IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000008964932 569491269 /nfs/dbraw/zinc/49/12/69/569491269.db2.gz CDRPREWFAAIKMU-RMDSEJHCSA-N 0 0 436.596 5.050 50 10 biogenic IKCARN Cc1ccc(Sc2cc(NS(=O)(=O)c3cc(C)ccc3C)c3ccccc3c2O)cc1 ZINC000008974177 569492858 /nfs/dbraw/zinc/49/28/58/569492858.db2.gz IBVJGFHISQVSFV-UHFFFAOYSA-N 0 0 449.597 6.423 50 10 IKCARN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000040155475 569493986 /nfs/dbraw/zinc/49/39/86/569493986.db2.gz HFRBPFRUZHUGEK-UHFFFAOYSA-N 0 0 430.021 5.206 50 10 IKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1cccc2ccccc21 ZINC000009056965 569499124 /nfs/dbraw/zinc/49/91/24/569499124.db2.gz LNWDNRQXLHUYCF-UHFFFAOYSA-N 0 0 428.484 5.563 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(C[NH+](CC(C)C)CC(C)C)c1[O-] ZINC000009075731 569500214 /nfs/dbraw/zinc/50/02/14/569500214.db2.gz BCOBUQGGCGLFPF-UHFFFAOYSA-N 0 0 447.579 5.718 50 10 IKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@@H]42)c1 ZINC000245232579 569500430 /nfs/dbraw/zinc/50/04/30/569500430.db2.gz YBSJBYCBSDKPCS-BSTKLLGTSA-N 0 0 449.348 6.252 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)C1 ZINC000245257675 569501606 /nfs/dbraw/zinc/50/16/06/569501606.db2.gz CHWPIYMLBVFBHN-IPVFLDMMSA-N 0 0 426.604 6.578 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccsc2)c1 ZINC000245296614 569502455 /nfs/dbraw/zinc/50/24/55/569502455.db2.gz MLMLIWQQSBSMMR-RXVVDRJESA-N 0 0 441.350 5.767 50 10 IKCARN CCN(CCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1)c1cccc(C)c1 ZINC000009153315 569508060 /nfs/dbraw/zinc/50/80/60/569508060.db2.gz HGCWDJYYAGHHHT-JOCHJYFZSA-N 0 0 443.635 5.865 50 10 IKCARN N=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000009158347 569508472 /nfs/dbraw/zinc/50/84/72/569508472.db2.gz KIEFYDMMMNPBHL-NDQRNUBQSA-N 0 0 449.894 6.043 50 10 IKCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1OC ZINC000009159467 569508580 /nfs/dbraw/zinc/50/85/80/569508580.db2.gz LSRQIEBDTSTSST-HXUWFJFHSA-N 0 0 436.895 5.054 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000009161279 569508710 /nfs/dbraw/zinc/50/87/10/569508710.db2.gz YXYWCBIYPFGFQG-RLPJPJOASA-N 0 0 433.581 5.520 50 10 IKCARN Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009192399 569510740 /nfs/dbraw/zinc/51/07/40/569510740.db2.gz XOTOGPQEHVVJLC-OAQYLSRUSA-N 0 0 435.321 5.455 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1cccc(F)c1 ZINC000009209124 569511477 /nfs/dbraw/zinc/51/14/77/569511477.db2.gz OVTCXBPOLJHOHA-UHFFFAOYSA-N 0 0 447.539 5.197 50 10 IKCARN CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(CC)CC)SC4=NC3=O)c2C)cc1 ZINC000009209678 569511572 /nfs/dbraw/zinc/51/15/72/569511572.db2.gz YUSNOOKZSYPVIS-SMKDVUIYSA-N 0 0 447.608 5.712 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccc1 ZINC000009217684 569512312 /nfs/dbraw/zinc/51/23/12/569512312.db2.gz UMERBYIHGSIOFE-GOSISDBHSA-N 0 0 443.576 5.446 50 10 IKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(Br)c3)c2C)cc1 ZINC000009228650 569513563 /nfs/dbraw/zinc/51/35/63/569513563.db2.gz HFZKWUCGOYMOTM-UHFFFAOYSA-N 0 0 428.330 5.187 50 10 IKCARN CCCCOC(=O)c1ccc(NC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000009228512 569513601 /nfs/dbraw/zinc/51/36/01/569513601.db2.gz ACNFLFVQPRRPIR-UHFFFAOYSA-N 0 0 443.499 5.039 50 10 IKCARN CCOC(=O)c1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000009228587 569513617 /nfs/dbraw/zinc/51/36/17/569513617.db2.gz MWPCBLDTTLGIAZ-UHFFFAOYSA-N 0 0 425.916 5.246 50 10 IKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3Br)c2C)cc1 ZINC000009228647 569513619 /nfs/dbraw/zinc/51/36/19/569513619.db2.gz YHQGYGPMJPVKKQ-UHFFFAOYSA-N 0 0 428.330 5.187 50 10 IKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000009228893 569513635 /nfs/dbraw/zinc/51/36/35/569513635.db2.gz NDPIXOQYUJQJGL-UHFFFAOYSA-N 0 0 442.357 5.495 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000009228770 569513638 /nfs/dbraw/zinc/51/36/38/569513638.db2.gz UJDNBDLGULUTAX-UHFFFAOYSA-N 0 0 426.358 5.795 50 10 IKCARN CCOC(=O)Cc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000009228805 569513652 /nfs/dbraw/zinc/51/36/52/569513652.db2.gz QYJRUTRNGQLGKQ-UHFFFAOYSA-N 0 0 439.943 5.175 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2F)c(C)n1-c1cccc(C)c1 ZINC000009228759 569513677 /nfs/dbraw/zinc/51/36/77/569513677.db2.gz NEVZDIQISLWBRA-UHFFFAOYSA-N 0 0 430.321 5.626 50 10 IKCARN CCOC(=O)c1cccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000009228798 569513679 /nfs/dbraw/zinc/51/36/79/569513679.db2.gz XEIIEVMPXFRTMH-UHFFFAOYSA-N 0 0 425.916 5.246 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1C ZINC000009232237 569513697 /nfs/dbraw/zinc/51/36/97/569513697.db2.gz ZIUIATGJJZHONR-HZHRSRAPSA-N 0 0 431.582 6.288 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1Cl ZINC000009232743 569513753 /nfs/dbraw/zinc/51/37/53/569513753.db2.gz ZFJQJBOGPSSYAE-VGOFMYFVSA-N 0 0 430.765 6.061 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000009233242 569513870 /nfs/dbraw/zinc/51/38/70/569513870.db2.gz HNUHRZUBPWLFRX-BYOKLEKTSA-N 0 0 432.336 5.040 50 10 IKCARN CCCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S ZINC000009233535 569513878 /nfs/dbraw/zinc/51/38/78/569513878.db2.gz XWSQDDPYYWYWBO-LDADJPATSA-N 0 0 433.982 5.539 50 10 IKCARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000009233695 569513887 /nfs/dbraw/zinc/51/38/87/569513887.db2.gz YDFSPJXXHGUGAV-NTEUORMPSA-N 0 0 446.894 5.184 50 10 IKCARN CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C ZINC000009233785 569513920 /nfs/dbraw/zinc/51/39/20/569513920.db2.gz XZRBUYBVCOKFQU-RIHJCCTQSA-N 0 0 449.580 5.158 50 10 IKCARN CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009234778 569513966 /nfs/dbraw/zinc/51/39/66/569513966.db2.gz MACIXIUGBSDKLL-ZNZIZOMTSA-N 0 0 433.507 5.017 50 10 IKCARN COCC(=O)c1sc2nc3c(cc2c1N=Nc1c(O)ccc2ccccc21)CCCC3 ZINC000009245227 569515250 /nfs/dbraw/zinc/51/52/50/569515250.db2.gz BOZPPZVGVMUZGR-CYYJNZCTSA-N 0 0 431.517 6.278 50 10 IKCARN COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000009280122 569518543 /nfs/dbraw/zinc/51/85/43/569518543.db2.gz ZJOPLHJGIIYTCY-HAHDFKILSA-N 0 0 447.581 5.676 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3)c(OC)c2)SC1=S ZINC000009280133 569518559 /nfs/dbraw/zinc/51/85/59/569518559.db2.gz QLXCSWLIIPUEMX-AQTBWJFISA-N 0 0 449.981 5.028 50 10 IKCARN CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=N)S1 ZINC000009282677 569518721 /nfs/dbraw/zinc/51/87/21/569518721.db2.gz CDUNDFWEZGIXOQ-IEHORWCKSA-N 0 0 445.573 5.187 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C2=N)S1 ZINC000009282691 569518752 /nfs/dbraw/zinc/51/87/52/569518752.db2.gz XPLBCQXZVHGDCB-TXYXZVOHSA-N 0 0 433.581 5.637 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C2=N)S1 ZINC000009291108 569519815 /nfs/dbraw/zinc/51/98/15/569519815.db2.gz TZFSSCGYYQCYEZ-ONVPTEKUSA-N 0 0 425.945 5.085 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=N)S1 ZINC000009293290 569520146 /nfs/dbraw/zinc/52/01/46/569520146.db2.gz LZCKUTPMXDHPRI-CXJFQJJYSA-N 0 0 447.608 5.910 50 10 IKCARN CCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1 ZINC000009293327 569520244 /nfs/dbraw/zinc/52/02/44/569520244.db2.gz KUBKZZKAHBJWCU-SUYASHRRSA-N 0 0 447.608 5.992 50 10 IKCARN CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 ZINC000009293464 569520259 /nfs/dbraw/zinc/52/02/59/569520259.db2.gz ZTMMVYIGNQPLLY-RLPJPJOASA-N 0 0 433.581 5.322 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000009293533 569520260 /nfs/dbraw/zinc/52/02/60/569520260.db2.gz PRNVMSTUIGPWKK-AMWUQPRHSA-N 0 0 437.594 5.041 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C2=N)S1 ZINC000009293607 569520299 /nfs/dbraw/zinc/52/02/99/569520299.db2.gz KJNSWURSVOVVOB-PWSGBSGUSA-N 0 0 439.972 5.475 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000009296456 569520443 /nfs/dbraw/zinc/52/04/43/569520443.db2.gz HSPPDAOIBBQBIV-WOJGMQOQSA-N 0 0 438.401 6.787 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000009296586 569520501 /nfs/dbraw/zinc/52/05/01/569520501.db2.gz ZELBFJLHMKQMPN-OVCLIPMQSA-N 0 0 440.424 5.028 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 ZINC000009296604 569520523 /nfs/dbraw/zinc/52/05/23/569520523.db2.gz JVHCZMKKSCMWBK-PXLXIMEGSA-N 0 0 433.554 5.680 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1C 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/nfs/dbraw/zinc/52/28/66/569522866.db2.gz QMIWHIWIOBMTSK-AREMUKBSSA-N 0 0 436.511 5.854 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C2=N)S1 ZINC000009348766 569524580 /nfs/dbraw/zinc/52/45/80/569524580.db2.gz DKOXVWBJUMXCFF-SMYYMERESA-N 0 0 448.548 5.254 50 10 IKCARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009404941 569529786 /nfs/dbraw/zinc/52/97/86/569529786.db2.gz KREUQFUDMSHKKD-XMMPIXPASA-N 0 0 430.577 5.309 50 10 IKCARN COc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)cc1 ZINC000009406121 569529977 /nfs/dbraw/zinc/52/99/77/569529977.db2.gz DMTLENOGMZGIKS-UHFFFAOYSA-N 0 0 436.555 5.962 50 10 IKCARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000009406127 569529991 /nfs/dbraw/zinc/52/99/91/569529991.db2.gz GFIWEUQOWYTLKD-MUUNZHRXSA-N 0 0 446.594 6.831 50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCCCc3ccccc3)cc2)C1 ZINC000009406176 569530011 /nfs/dbraw/zinc/53/00/11/569530011.db2.gz PLXHGUXVFWQWAY-HSZRJFAPSA-N 0 0 448.610 6.632 50 10 IKCARN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 ZINC000009529649 569544862 /nfs/dbraw/zinc/54/48/62/569544862.db2.gz FYQULUFWRYITMS-XMMPIXPASA-N 0 0 434.971 5.332 50 10 IKCARN CCc1ccc(C2=N[C@](C)(CC(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000009542105 569545919 /nfs/dbraw/zinc/54/59/19/569545919.db2.gz ZSAPBFNUIQHESP-GMAHTHKFSA-N 0 0 429.402 6.003 50 10 IKCARN COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000009554033 569546796 /nfs/dbraw/zinc/54/67/96/569546796.db2.gz ONBVQBUITBHGTA-DHDCSXOGSA-N 0 0 440.771 5.517 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Br)cc1 ZINC000009716444 569563199 /nfs/dbraw/zinc/56/31/99/569563199.db2.gz NNHVYUKLTGSUBJ-UHFFFAOYSA-N 0 0 445.386 5.066 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000009762143 569566446 /nfs/dbraw/zinc/56/64/46/569566446.db2.gz JZYICWQTDNVOKQ-ONNBZHDSSA-N 0 0 426.929 5.799 50 10 IKCARN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)SC1=S ZINC000009762410 569566465 /nfs/dbraw/zinc/56/64/65/569566465.db2.gz VEQTZJKGXMYMIA-HMAPJEAMSA-N 0 0 434.586 5.817 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(C(C)C)cc1 ZINC000009762852 569566480 /nfs/dbraw/zinc/56/64/80/569566480.db2.gz RTENLVZXVLBMLR-STZFKDTASA-N 0 0 443.590 5.155 50 10 IKCARN O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000009762848 569566513 /nfs/dbraw/zinc/56/65/13/569566513.db2.gz DPEBMWWORYEMNL-XLNRJJMWSA-N 0 0 433.554 5.550 50 10 IKCARN Cc1cccc(COc2ccc(C)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000009763134 569566551 /nfs/dbraw/zinc/56/65/51/569566551.db2.gz QRRHLOINYBZUBO-XKZIYDEJSA-N 0 0 435.570 5.877 50 10 IKCARN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccccc1 ZINC000009763755 569566664 /nfs/dbraw/zinc/56/66/64/569566664.db2.gz OGHUJLOPOKPIEK-UCQKPKSFSA-N 0 0 444.556 6.235 50 10 IKCARN Cc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3nc2-c2ccc(C)c(C)c2)cc1C ZINC000009779946 569567448 /nfs/dbraw/zinc/56/74/48/569567448.db2.gz JSLAAKMARFDWRO-UHFFFAOYSA-N 0 0 445.566 7.572 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000009805430 569568763 /nfs/dbraw/zinc/56/87/63/569568763.db2.gz JCSLLYDATOFHLS-WQRHYEAKSA-N 0 0 432.353 6.659 50 10 IKCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000009845997 569570933 /nfs/dbraw/zinc/57/09/33/569570933.db2.gz SFLYBSMBCPAFPH-JWGURIENSA-N 0 0 443.474 5.282 50 10 IKCARN COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000009849695 569571301 /nfs/dbraw/zinc/57/13/01/569571301.db2.gz OETRNWPWSIJLPW-PXLXIMEGSA-N 0 0 426.472 5.029 50 10 IKCARN Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000009849686 569571315 /nfs/dbraw/zinc/57/13/15/569571315.db2.gz NUNRFKNXAHVCNW-KHVXQDHOSA-N 0 0 444.600 6.239 50 10 IKCARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216028 569579251 /nfs/dbraw/zinc/57/92/51/569579251.db2.gz LPDDLBIBEDCDEM-GCJKJVERSA-N 0 0 426.925 5.748 50 10 IKCARN CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc(C(C)(C)C)c1O ZINC000006212021 193892707 /nfs/dbraw/zinc/89/27/07/193892707.db2.gz IVQFYEWGGHZFBU-UNOMPAQXSA-N 0 0 440.634 5.784 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363101 193927333 /nfs/dbraw/zinc/92/73/33/193927333.db2.gz SVOZOXLFQNSOAE-VWNXMTODSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053363361 193927566 /nfs/dbraw/zinc/92/75/66/193927566.db2.gz GOKPNPFDVOSOHR-NVQXNPDNSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3C)N2)c1O ZINC000053364065 193928122 /nfs/dbraw/zinc/92/81/22/193928122.db2.gz MGAMIBGLZMRTJA-NAKRPHOHSA-N 0 0 428.576 6.193 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053363842 193928146 /nfs/dbraw/zinc/92/81/46/193928146.db2.gz YTVVJGSGJLUIPS-ZEQKJWHPSA-N 0 0 432.520 5.031 50 10 IKCARN COc1ccc2c(c1)CCCN2Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000000716267 132229657 /nfs/dbraw/zinc/22/96/57/132229657.db2.gz JANFGVPGOPADCZ-UHFFFAOYSA-N 0 0 428.561 5.489 50 10 IKCARN Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 ZINC000000939665 132234821 /nfs/dbraw/zinc/23/48/21/132234821.db2.gz FAPCRHUJDLYUKQ-UHFFFAOYSA-N 0 0 431.388 6.060 50 10 IKCARN COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001205941 132239582 /nfs/dbraw/zinc/23/95/82/132239582.db2.gz POPIZHNGXHPPQE-UHFFFAOYSA-N 0 0 442.540 5.060 50 10 IKCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 ZINC000001254520 132240896 /nfs/dbraw/zinc/24/08/96/132240896.db2.gz CGVNFDXDISSAON-UHFFFAOYSA-N 0 0 430.495 5.772 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccccc5)CC4)=NC3=O)o2)cc1 ZINC000001471547 132245727 /nfs/dbraw/zinc/24/57/27/132245727.db2.gz YHJFUOOCELGKRL-QJOMJCCJSA-N 0 0 429.545 5.048 50 10 IKCARN O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000001471378 132245747 /nfs/dbraw/zinc/24/57/47/132245747.db2.gz DQMUBRBHGWRZOV-UHFFFAOYSA-N 0 0 427.913 5.006 50 10 IKCARN Cc1ccccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002305475 132251619 /nfs/dbraw/zinc/25/16/19/132251619.db2.gz PSJMSPLPTSMBCQ-IRXDYDNUSA-N 0 0 439.515 5.705 50 10 IKCARN Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002302384 132251627 /nfs/dbraw/zinc/25/16/27/132251627.db2.gz JMDBTMFUASRSSI-IRXDYDNUSA-N 0 0 439.515 5.705 50 10 IKCARN COc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002304833 132251670 /nfs/dbraw/zinc/25/16/70/132251670.db2.gz ILNHINHSHYTKDZ-MRXNPFEDSA-N 0 0 439.515 6.028 50 10 IKCARN O=C1CCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002494274 132254879 /nfs/dbraw/zinc/25/48/79/132254879.db2.gz NTQSYTPHQINBMG-UHFFFAOYSA-N 0 0 427.435 5.091 50 10 IKCARN O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002789277 132257078 /nfs/dbraw/zinc/25/70/78/132257078.db2.gz MMYNXLMBQJRBCN-NTEUORMPSA-N 0 0 432.951 5.281 50 10 IKCARN O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002789431 132257111 /nfs/dbraw/zinc/25/71/11/132257111.db2.gz YOJQDCWCWCRTNF-XNTDXEJSSA-N 0 0 432.951 5.281 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCc3ccccc32)cc1 ZINC000003329155 132263949 /nfs/dbraw/zinc/26/39/49/132263949.db2.gz LOTLBVZNQPPZPU-OBGWFSINSA-N 0 0 435.527 5.541 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3C)[C@@H](C)CC)ccc21 ZINC000003585595 132266259 /nfs/dbraw/zinc/26/62/59/132266259.db2.gz XHDRUVPHZPQMOU-NRFANRHFSA-N 0 0 437.697 6.854 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741888 132267890 /nfs/dbraw/zinc/26/78/90/132267890.db2.gz VNLJSJMRJVCYMT-HZPDHXFCSA-N 0 0 441.506 6.404 50 10 IKCARN C[C@@H]1C[C@H](C)CN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741890 132267909 /nfs/dbraw/zinc/26/79/09/132267909.db2.gz VNLJSJMRJVCYMT-IYBDPMFKSA-N 0 0 441.506 6.404 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741884 132267958 /nfs/dbraw/zinc/26/79/58/132267958.db2.gz PPFABRIDMLBULI-HZPDHXFCSA-N 0 0 441.506 6.404 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 ZINC000006444765 132277348 /nfs/dbraw/zinc/27/73/48/132277348.db2.gz JMZLFTVBMPZFSD-QCFAMHMHSA-N 0 0 445.946 5.533 50 10 IKCARN O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 ZINC000006444755 132277371 /nfs/dbraw/zinc/27/73/71/132277371.db2.gz JMZLFTVBMPZFSD-RMVXJAJNSA-N 0 0 445.946 5.533 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000008456404 132282362 /nfs/dbraw/zinc/28/23/62/132282362.db2.gz GCMLMVCXNLXJOT-NEMUNFNQSA-N 0 0 427.504 5.448 50 10 IKCARN COc1ccc(N2CCN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2)cc1 ZINC000008857370 132296389 /nfs/dbraw/zinc/29/63/89/132296389.db2.gz OEDJIRBXZBSATQ-UHFFFAOYSA-N 0 0 427.573 5.812 50 10 IKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000009461178 132318049 /nfs/dbraw/zinc/31/80/49/132318049.db2.gz LTANIYNVENJTCN-KRKXHZOKSA-N 0 0 446.388 6.546 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612320 132323561 /nfs/dbraw/zinc/32/35/61/132323561.db2.gz IMZBHUZFZNRMQW-UHFFFAOYSA-N 0 0 438.531 5.151 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000014086441 132356024 /nfs/dbraw/zinc/35/60/24/132356024.db2.gz VFLROUUBSBKEEB-UHFFFAOYSA-N 0 0 444.604 5.274 50 10 IKCARN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000033695767 518202543 /nfs/dbraw/zinc/20/25/43/518202543.db2.gz RKRIZGZWVBPFDI-UYRXBGFRSA-N 0 0 443.366 5.286 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000016116109 519632160 /nfs/dbraw/zinc/63/21/60/519632160.db2.gz XBICYZOKFMIICQ-PDQHBKGPSA-N 0 0 432.549 5.492 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@@H]21 ZINC000247917007 519707855 /nfs/dbraw/zinc/70/78/55/519707855.db2.gz GCMLMVCXNLXJOT-PDLBJYQGSA-N 0 0 427.504 5.448 50 10 IKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000012349708 519894459 /nfs/dbraw/zinc/89/44/59/519894459.db2.gz KCQIRYIUXNGUOU-XLNRJJMWSA-N 0 0 430.935 6.505 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C2=N)S1 ZINC000032964167 519917666 /nfs/dbraw/zinc/91/76/66/519917666.db2.gz DMTQGKDHFLAIJB-TUAICTNVSA-N 0 0 445.470 5.305 50 10 IKCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OCC)cc1OCC ZINC000012411357 520319918 /nfs/dbraw/zinc/31/99/18/520319918.db2.gz GJZYEXFYSOLXNR-PGMHBOJBSA-N 0 0 435.520 5.141 50 10 IKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccccc3NC(C)(C)C2=S)S1 ZINC000033347610 520542715 /nfs/dbraw/zinc/54/27/15/520542715.db2.gz XTKAGYHFTGTPNW-OQKWZONESA-N 0 0 439.627 6.341 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1 ZINC000002668103 520635007 /nfs/dbraw/zinc/63/50/07/520635007.db2.gz AGZPYVJGTLNMSC-QAIWHXNASA-N 0 0 427.591 5.664 50 10 IKCARN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000016694519 520895901 /nfs/dbraw/zinc/89/59/01/520895901.db2.gz HCGQPZPNGIDDLM-HMAPJEAMSA-N 0 0 432.451 5.457 50 10 IKCARN CC1=NN(c2nc(-c3ccc4ccccc4c3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000012275554 520898877 /nfs/dbraw/zinc/89/88/77/520898877.db2.gz FZSPIAPPCUFNAR-UCQKPKSFSA-N 0 0 438.556 5.835 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012560567 520922255 /nfs/dbraw/zinc/92/22/55/520922255.db2.gz HYUGIVWIBGLFOW-AHWVRZQESA-N 0 0 431.967 6.429 50 10 IKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000012411774 520922812 /nfs/dbraw/zinc/92/28/12/520922812.db2.gz CDRPREWFAAIKMU-HYZYYIOASA-N 0 0 436.596 5.050 50 10 biogenic,in-vitro IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(OC)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764289 520931423 /nfs/dbraw/zinc/93/14/23/520931423.db2.gz FREPQAWVAVPJEE-RPLLCQBOSA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(OC)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764281 520931794 /nfs/dbraw/zinc/93/17/94/520931794.db2.gz FREPQAWVAVPJEE-SHQCIBLASA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763265 520932073 /nfs/dbraw/zinc/93/20/73/520932073.db2.gz QJCVTACPCDMFHR-VWNXMTODSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020765101 520932328 /nfs/dbraw/zinc/93/23/28/520932328.db2.gz JGVXUDRJFBAANG-ISKFKSNPSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763718 521416670 /nfs/dbraw/zinc/41/66/70/521416670.db2.gz ZBJSDUUUERLDGD-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2c2ccc(OC)cc2)c1O ZINC000020415280 521418118 /nfs/dbraw/zinc/41/81/18/521418118.db2.gz WEKFBPRNXGZNLZ-HSZRJFAPSA-N 0 0 428.488 5.041 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3Cl)N2)c1O ZINC000020763713 521424474 /nfs/dbraw/zinc/42/44/74/521424474.db2.gz ZBJSDUUUERLDGD-RCZVLFRGSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3cc(OC)ccc3OC)N2)c1O ZINC000020764708 521425578 /nfs/dbraw/zinc/42/55/78/521425578.db2.gz MUTMHSFGWNMAMP-KCWPFWIISA-N 0 0 446.547 5.339 50 10 IKCARN CCOc1cccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2c2ccc(OC)cc2)c1O ZINC000020415278 521425961 /nfs/dbraw/zinc/42/59/61/521425961.db2.gz WEKFBPRNXGZNLZ-QHCPKHFHSA-N 0 0 428.488 5.041 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000012285414 521510702 /nfs/dbraw/zinc/51/07/02/521510702.db2.gz HUACHUCMTYOONS-ZHZULCJRSA-N 0 0 445.631 5.396 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3C)c3ccccc23)SC1=S ZINC000022229128 521513659 /nfs/dbraw/zinc/51/36/59/521513659.db2.gz RQVSOLPUTVYUGK-HMAPJEAMSA-N 0 0 436.602 5.558 50 10 IKCARN CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000022419042 521542420 /nfs/dbraw/zinc/54/24/20/521542420.db2.gz AFIXGSCNDYONJF-RUZDIDTESA-N 0 0 444.579 5.077 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(C3=NNC(=Nc4cccc(C)c4C)SC3)c2C)cc1 ZINC000015978476 521933687 /nfs/dbraw/zinc/93/36/87/521933687.db2.gz LMKJCAXJWOJOTE-UHFFFAOYSA-N 0 0 446.576 5.417 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022241905 521955757 /nfs/dbraw/zinc/95/57/57/521955757.db2.gz AAQFMRCJNSFSBK-RQZCQDPDSA-N 0 0 440.373 5.412 50 10 IKCARN CC[C@H](C)c1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000022358376 522038644 /nfs/dbraw/zinc/03/86/44/522038644.db2.gz NCRCVOURCQUKDS-WPGBELRESA-N 0 0 441.618 5.797 50 10 IKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021891853 522248463 /nfs/dbraw/zinc/24/84/63/522248463.db2.gz YSKUBJSHADKPJG-AREMUKBSSA-N 0 0 440.522 5.820 50 10 IKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000022358374 522428575 /nfs/dbraw/zinc/42/85/75/522428575.db2.gz NCRCVOURCQUKDS-JVDNRXPZSA-N 0 0 441.618 5.797 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1C ZINC000033759100 523240154 /nfs/dbraw/zinc/24/01/54/523240154.db2.gz CPTGXRSGYGRICX-FYJGNVAPSA-N 0 0 449.601 5.466 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000033155004 523416327 /nfs/dbraw/zinc/41/63/27/523416327.db2.gz YNFDKALQKRFRLI-QGOAFFKASA-N 0 0 448.316 5.635 50 10 IKCARN CCc1ccc(-c2cc(-c3ccccc3)c3c(n2)/C(=C\c2ccc(N(C)C)cc2)CCC3)cc1 ZINC000034864910 523852335 /nfs/dbraw/zinc/85/23/35/523852335.db2.gz JZTSNISSRGAEJC-MEFGMAGPSA-N 0 0 444.622 7.921 50 10 IKCARN COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000018193121 523878518 /nfs/dbraw/zinc/87/85/18/523878518.db2.gz PCJXAYFKUBCSDU-MOSHPQCFSA-N 0 0 437.326 6.145 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763379 523902531 /nfs/dbraw/zinc/90/25/31/523902531.db2.gz XRJYCWVMCYRRJI-ISKFKSNPSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000015154097 524198344 /nfs/dbraw/zinc/19/83/44/524198344.db2.gz WAGCVUSAMQSCKQ-CQSZACIVSA-N 0 0 448.853 5.172 50 10 IKCARN Cc1ccc(Cl)cc1NCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000022000108 524758303 /nfs/dbraw/zinc/75/83/03/524758303.db2.gz POQHXKCDYOXIDK-VIZOYTHASA-N 0 0 443.808 6.226 50 10 IKCARN COc1ccccc1[C@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2O)N1 ZINC000020763758 524816275 /nfs/dbraw/zinc/81/62/75/524816275.db2.gz UMSSTSXPSLGLKF-REWPJTCUSA-N 0 0 437.337 5.386 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c(C)c1 ZINC000020324865 524916629 /nfs/dbraw/zinc/91/66/29/524916629.db2.gz PCXKOLPSSKDYFI-MOSHPQCFSA-N 0 0 437.611 6.595 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1c(C)nn(C)c1Cl ZINC000012244317 525569054 /nfs/dbraw/zinc/56/90/54/525569054.db2.gz JNJDZAPJNIXLOH-FQEVSTJZSA-N 0 0 449.954 5.912 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cccc2nccnc12 ZINC000012159109 525571780 /nfs/dbraw/zinc/57/17/80/525571780.db2.gz YUKCUPPAPAJJGJ-QHCPKHFHSA-N 0 0 431.536 6.021 50 10 IKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000020238613 526068180 /nfs/dbraw/zinc/06/81/80/526068180.db2.gz YKOHGHJKYPGZJI-NDENLUEZSA-N 0 0 436.514 5.565 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000034721133 526083101 /nfs/dbraw/zinc/08/31/01/526083101.db2.gz FDPOXDUIOHZXDM-QCYQHFLCSA-N 0 0 425.945 5.023 50 10 IKCARN Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000012531784 526211223 /nfs/dbraw/zinc/21/12/23/526211223.db2.gz SUSVPQMVFQGZDG-LJQANCHMSA-N 0 0 446.277 5.005 50 10 IKCARN Cc1cc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000012531786 526211732 /nfs/dbraw/zinc/21/17/32/526211732.db2.gz SUSVPQMVFQGZDG-IBGZPJMESA-N 0 0 446.277 5.005 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cc(C)cc3C)[C@H](C)CC)ccc21 ZINC000003585611 534915194 /nfs/dbraw/zinc/91/51/94/534915194.db2.gz ZYSKLAZNMWKOPA-JOCHJYFZSA-N 0 0 437.697 6.772 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(CC)c3)ccc21 ZINC000003057211 534915964 /nfs/dbraw/zinc/91/59/64/534915964.db2.gz IBVXFXVLZNKARL-UHFFFAOYSA-N 0 0 425.642 5.257 50 10 IKCARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000001266436 526706613 /nfs/dbraw/zinc/70/66/13/526706613.db2.gz ZKZXJHSAZBGBJP-BAGULLTOSA-N 0 0 448.491 5.102 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000012629232 526939823 /nfs/dbraw/zinc/93/98/23/526939823.db2.gz FKEMCTMFPUHMPJ-WQRHYEAKSA-N 0 0 432.353 6.659 50 10 IKCARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000001159636 526940172 /nfs/dbraw/zinc/94/01/72/526940172.db2.gz SIOGPLJAKZGOSN-WDZFZDKYSA-N 0 0 435.151 5.755 50 10 IKCARN Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@@H]42)c1Cl ZINC000250509708 526982701 /nfs/dbraw/zinc/98/27/01/526982701.db2.gz OOLWDDHOESJTDM-FJJGKMIKSA-N 0 0 444.405 8.041 50 10 IKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012629338 527017362 /nfs/dbraw/zinc/01/73/62/527017362.db2.gz FUHDXRHLZMCVDW-SFHVURJKSA-N 0 0 448.617 5.195 50 10 IKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)SC1=Cc1c[nH]nc1-c1ccccc1 ZINC000012507978 527044985 /nfs/dbraw/zinc/04/49/85/527044985.db2.gz SLWXFCRSCZNISO-CJLVFECKSA-N 0 0 428.561 5.002 50 10 aggregator IKCARN O=C(NCCC1=CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902523 527625458 /nfs/dbraw/zinc/62/54/58/527625458.db2.gz GIIVRVKERBZIFE-UHFFFAOYSA-N 0 0 438.615 7.034 50 10 IKCARN COc1ccc(N2CCN(C(=O)/C(=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 ZINC000001151649 536675886 /nfs/dbraw/zinc/67/58/86/536675886.db2.gz KTRHWPZLUAUWMC-LYBHJNIJSA-N 0 0 432.951 5.238 50 10 IKCARN COc1ccc(N2CCN(C(=O)CC3(c4ccccc4)C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000003125723 536677858 /nfs/dbraw/zinc/67/78/58/536677858.db2.gz CYCWPLIUCSTBRJ-UHFFFAOYSA-N 0 0 444.619 5.128 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1ccccc1 ZINC000000628670 555513795 /nfs/dbraw/zinc/51/37/95/555513795.db2.gz UCNFGECQBGDBLL-UHFFFAOYSA-N 0 0 426.545 5.573 50 10 IKCARN CCOc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1OCC ZINC000000671222 555531246 /nfs/dbraw/zinc/53/12/46/555531246.db2.gz BLVGCWLNGUPMDH-ATVHPVEESA-N 0 0 432.339 5.308 50 10 IKCARN Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc3c2O)cc1 ZINC000000944519 555587519 /nfs/dbraw/zinc/58/75/19/555587519.db2.gz MTKASAHPYCJSHN-UHFFFAOYSA-N 0 0 439.533 5.945 50 10 IKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000000947508 555588237 /nfs/dbraw/zinc/58/82/37/555588237.db2.gz ZLDPDHWNKCMIBH-UHFFFAOYSA-N 0 0 429.394 5.525 50 10 biogenic IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 ZINC000000994902 555598094 /nfs/dbraw/zinc/59/80/94/555598094.db2.gz LWBURZOPYYXGCJ-UNOMPAQXSA-N 0 0 438.486 5.269 50 10 IKCARN O=C1C(=CNc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000001018116 555603051 /nfs/dbraw/zinc/60/30/51/555603051.db2.gz JTKBZKAXODXLNY-UHFFFAOYSA-N 0 0 429.948 5.092 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000001028537 555605033 /nfs/dbraw/zinc/60/50/33/555605033.db2.gz QNAPXNYKNJLCJG-YRUBURHZSA-N 0 0 440.373 5.634 50 10 IKCARN COc1ccc2c3ccc(OCC(=O)c4ccc(Cl)c(Cl)c4)cc3oc(=O)c2c1 ZINC000001110923 555631406 /nfs/dbraw/zinc/63/14/06/555631406.db2.gz KQIOVPRJEXXIDU-UHFFFAOYSA-N 0 0 429.255 5.523 50 10 IKCARN COC(=O)c1sc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3cccc(F)c3)c2c1N ZINC000001123198 555639021 /nfs/dbraw/zinc/63/90/21/555639021.db2.gz QQQMJVBLIKCYFV-UHFFFAOYSA-N 0 0 449.507 5.340 50 10 IKCARN O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000001139935 555649532 /nfs/dbraw/zinc/64/95/32/555649532.db2.gz MNUWPLRXZCNOOY-LDADJPATSA-N 0 0 441.921 5.445 50 10 IKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000001160540 555661416 /nfs/dbraw/zinc/66/14/16/555661416.db2.gz WVIAGPMXYLDIRH-XKZIYDEJSA-N 0 0 447.537 5.609 50 10 IKCARN COc1ccc(/C(C)=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000001164382 555663596 /nfs/dbraw/zinc/66/35/96/555663596.db2.gz PVCPQWSSQNASEG-BOPFTXTBSA-N 0 0 439.480 5.519 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3n2C)SC1=S ZINC000001188260 555674990 /nfs/dbraw/zinc/67/49/90/555674990.db2.gz GLMYFKNHZCQSSJ-STZFKDTASA-N 0 0 444.585 5.252 50 10 IKCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S ZINC000001411625 555694362 /nfs/dbraw/zinc/69/43/62/555694362.db2.gz LKUVBJAPCRKFNH-ZDLGFXPLSA-N 0 0 432.929 5.695 50 10 IKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001446654 555699209 /nfs/dbraw/zinc/69/92/09/555699209.db2.gz NYFJDBJOFOZYCF-WQRHYEAKSA-N 0 0 425.604 5.458 50 10 IKCARN O=C(C(=O)c1ccc(Cc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000001622919 555706313 /nfs/dbraw/zinc/70/63/13/555706313.db2.gz XNTNXDQCEHVQBS-UHFFFAOYSA-N 0 0 432.475 5.409 50 10 IKCARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001791126 555715952 /nfs/dbraw/zinc/71/59/52/555715952.db2.gz HUIBJYGQEYETHS-UHFFFAOYSA-N 0 0 446.915 5.781 50 10 IKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(Br)cc1 ZINC000001830524 555719018 /nfs/dbraw/zinc/71/90/18/555719018.db2.gz YUAMACVFFFSCQL-HKWRFOASSA-N 0 0 441.394 5.374 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000002058722 555731147 /nfs/dbraw/zinc/73/11/47/555731147.db2.gz UKGBFSGGORPWHE-FYJGNVAPSA-N 0 0 437.973 6.325 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000002062287 555732176 /nfs/dbraw/zinc/73/21/76/555732176.db2.gz CMXVJAUHHHWJQM-WOJGMQOQSA-N 0 0 432.353 6.659 50 10 IKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002064093 555733117 /nfs/dbraw/zinc/73/31/17/555733117.db2.gz RSXDTZKAKVKOQD-UHFFFAOYSA-N 0 0 435.907 5.487 50 10 IKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3NC(C)(C)C2=S)S1 ZINC000002070248 555734653 /nfs/dbraw/zinc/73/46/53/555734653.db2.gz XTKAGYHFTGTPNW-XLNRJJMWSA-N 0 0 439.627 6.341 50 10 IKCARN CN(c1ccccc1)N1C(=O)C(=C(c2ccccc2)c2ccccc2)C2=C1c1ccccc1C2 ZINC000002077815 555736051 /nfs/dbraw/zinc/73/60/51/555736051.db2.gz OTQVWVLMCYTNMH-UHFFFAOYSA-N 0 0 440.546 6.350 50 10 IKCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1OCC ZINC000002089310 555740822 /nfs/dbraw/zinc/74/08/22/555740822.db2.gz YWRQVUFPSDFEKM-QNGOZBTKSA-N 0 0 435.520 5.060 50 10 IKCARN COc1ccc(NCc2c3c(cc(I)c2O)oc2c3CCCC2)cc1 ZINC000002157741 555750583 /nfs/dbraw/zinc/75/05/83/555750583.db2.gz YGUZSUKAIQRSBP-UHFFFAOYSA-N 0 0 449.288 5.243 50 10 IKCARN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000002245782 555761926 /nfs/dbraw/zinc/76/19/26/555761926.db2.gz GQHPAWGOSSZWCX-LSCVHKIXSA-N 0 0 435.954 5.080 50 10 IKCARN O=C(NN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)c1ccccc1 ZINC000002332827 555769506 /nfs/dbraw/zinc/76/95/06/555769506.db2.gz UGPUWHAOYUZSKG-HKWRFOASSA-N 0 0 432.526 5.025 50 10 IKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000002381796 555774387 /nfs/dbraw/zinc/77/43/87/555774387.db2.gz UZUUYCUMKDIUOT-GHRIWEEISA-N 0 0 434.583 5.288 50 10 IKCARN CCN1C(=O)/C(=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)SC1=S ZINC000002405346 555776473 /nfs/dbraw/zinc/77/64/73/555776473.db2.gz SVVADTMLQTVOPT-GYKXOELXSA-N 0 0 448.613 5.113 50 10 IKCARN CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000002470509 555783261 /nfs/dbraw/zinc/78/32/61/555783261.db2.gz CBMCUGPDDZTZAO-DEOSSOPVSA-N 0 0 429.520 5.561 50 10 IKCARN CC[C@H](C)N1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000002672283 555797517 /nfs/dbraw/zinc/79/75/17/555797517.db2.gz FPHOLZDVSPTEKR-UNQMGURYSA-N 0 0 442.993 5.257 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000002672281 555797569 /nfs/dbraw/zinc/79/75/69/555797569.db2.gz FPHOLZDVSPTEKR-LTFJSZEESA-N 0 0 442.993 5.257 50 10 IKCARN CC[C@@H](C)N1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000002672259 555797584 /nfs/dbraw/zinc/79/75/84/555797584.db2.gz ZFEQFGJTVADGTQ-LTFJSZEESA-N 0 0 442.993 5.257 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002678084 555797809 /nfs/dbraw/zinc/79/78/09/555797809.db2.gz CKKSJKJMNJJDCK-MPGAHLTBSA-N 0 0 431.582 6.228 50 10 IKCARN COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 ZINC000002811617 555827234 /nfs/dbraw/zinc/82/72/34/555827234.db2.gz YIPCDXWAIWOCLG-HAHDFKILSA-N 0 0 447.581 5.988 50 10 IKCARN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000002844118 555836978 /nfs/dbraw/zinc/83/69/78/555836978.db2.gz XWMVGOJGEGELAN-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN Cc1ccc(C(C)C)c(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000002874214 555851173 /nfs/dbraw/zinc/85/11/73/555851173.db2.gz BLVVBUPCBFFGCT-KGENOOAVSA-N 0 0 427.591 5.455 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)SC2=S)cc1 ZINC000002899023 555860637 /nfs/dbraw/zinc/86/06/37/555860637.db2.gz OVHCMNPLEHGRFL-GDNBJRDFSA-N 0 0 437.327 5.005 50 10 IKCARN O=C1c2ccccc2C(=O)C1(Cc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000002986809 555874379 /nfs/dbraw/zinc/87/43/79/555874379.db2.gz IPQIFDQTABGQQV-UHFFFAOYSA-N 0 0 425.709 5.662 50 10 IKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000002988658 555874477 /nfs/dbraw/zinc/87/44/77/555874477.db2.gz OOMMLSKFMUEMDU-KGENOOAVSA-N 0 0 447.541 5.769 50 10 IKCARN O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1 ZINC000002993623 555875717 /nfs/dbraw/zinc/87/57/17/555875717.db2.gz OVQZQPRLPPWXHT-XLNRJJMWSA-N 0 0 433.554 5.550 50 10 IKCARN O=C1NC(=S)S/C1=C\c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000002993810 555875786 /nfs/dbraw/zinc/87/57/86/555875786.db2.gz ZLNVGKCCNRAMDP-JWGURIENSA-N 0 0 439.602 5.681 50 10 IKCARN O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1F ZINC000003000851 555877842 /nfs/dbraw/zinc/87/78/42/555877842.db2.gz GWLZGGVQEBBKFW-UCQKPKSFSA-N 0 0 444.556 6.235 50 10 IKCARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 ZINC000003672723 555945689 /nfs/dbraw/zinc/94/56/89/555945689.db2.gz XVEQCUIDZBYRBT-RUZDIDTESA-N 0 0 432.955 5.642 50 10 IKCARN CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000003769398 555946053 /nfs/dbraw/zinc/94/60/53/555946053.db2.gz QWTNMZAEIQXBSQ-XQNSMLJCSA-N 0 0 433.598 6.733 50 10 IKCARN COc1ccccc1NN=C1C=C(C(=O)Nc2ccccc2N(C)C)C(=O)c2ccccc21 ZINC000004044757 555955258 /nfs/dbraw/zinc/95/52/58/555955258.db2.gz RBSAVUGHEPKJST-ZQHSETAFSA-N 0 0 440.503 6.288 50 10 IKCARN COc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000004164730 555971309 /nfs/dbraw/zinc/97/13/09/555971309.db2.gz PKONGJVFAYPTNC-HSZRJFAPSA-N 0 0 445.519 5.180 50 10 biogenic IKCARN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000006162990 556079181 /nfs/dbraw/zinc/07/91/81/556079181.db2.gz CQBMJPKTEQSHNO-UHFFFAOYSA-N 0 0 441.833 5.642 50 10 IKCARN Clc1ccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000006445340 556088284 /nfs/dbraw/zinc/08/82/84/556088284.db2.gz DACBWLIZQKHTQJ-XWCIJXRUSA-N 0 0 442.127 6.425 50 10 IKCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12 ZINC000006457192 556088855 /nfs/dbraw/zinc/08/88/55/556088855.db2.gz ZGPXGWJYXQSINJ-LJQANCHMSA-N 0 0 440.728 5.953 50 10 IKCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12 ZINC000006457188 556088922 /nfs/dbraw/zinc/08/89/22/556088922.db2.gz ZGPXGWJYXQSINJ-IBGZPJMESA-N 0 0 440.728 5.953 50 10 IKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c(O)c2n1 ZINC000006456128 556088952 /nfs/dbraw/zinc/08/89/52/556088952.db2.gz HCTZDSCZZMIZFD-MHZLTWQESA-N 0 0 447.538 6.424 50 10 IKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c(O)c2n1 ZINC000006456123 556088967 /nfs/dbraw/zinc/08/89/67/556088967.db2.gz HCTZDSCZZMIZFD-HHHXNRCGSA-N 0 0 447.538 6.424 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)SC1=S ZINC000006470564 556090352 /nfs/dbraw/zinc/09/03/52/556090352.db2.gz VTSOSJROQFYEQV-RCCKNPSSSA-N 0 0 427.591 5.372 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1CCc1ccccc1 ZINC000007018329 556113474 /nfs/dbraw/zinc/11/34/74/556113474.db2.gz ZSUKBSUZERVALZ-XSFVSMFZSA-N 0 0 425.962 6.044 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCc1ccccc1 ZINC000007018332 556113499 /nfs/dbraw/zinc/11/34/99/556113499.db2.gz IDKQUWOGKOJZTC-XSFVSMFZSA-N 0 0 436.514 5.299 50 10 IKCARN CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S ZINC000002678435 556118798 /nfs/dbraw/zinc/11/87/98/556118798.db2.gz DCIAZBCCNIWFEM-PGMHBOJBSA-N 0 0 439.602 5.996 50 10 IKCARN O=C1/C(=C/c2ccccc2OCCCOc2ccccc2)SC(=S)N1c1ccccc1 ZINC000002843852 556147851 /nfs/dbraw/zinc/14/78/51/556147851.db2.gz UHHNSGNHPMLBPJ-NKFKGCMQSA-N 0 0 447.581 5.940 50 10 IKCARN COC(=O)c1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCC3)cc1 ZINC000002909495 556149756 /nfs/dbraw/zinc/14/97/56/556149756.db2.gz VIKBJKCBQVAVGS-UHFFFAOYSA-N 0 0 438.524 5.417 50 10 IKCARN CN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S ZINC000002966751 556154472 /nfs/dbraw/zinc/15/44/72/556154472.db2.gz KMPOQHJUQBXDNI-HKWRFOASSA-N 0 0 427.591 5.273 50 10 IKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000003011910 556155517 /nfs/dbraw/zinc/15/55/17/556155517.db2.gz GGWIDFRWAMXJIJ-CAOOACKPSA-N 0 0 440.373 5.460 50 10 IKCARN CCCCC1(Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002994409 556156197 /nfs/dbraw/zinc/15/61/97/556156197.db2.gz CINIOTHJRRSEFQ-UHFFFAOYSA-N 0 0 443.503 5.309 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000008398836 556165159 /nfs/dbraw/zinc/16/51/59/556165159.db2.gz SMQNSIZHFWMJTC-XSFVSMFZSA-N 0 0 448.276 5.192 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)c1 ZINC000008430088 556170345 /nfs/dbraw/zinc/17/03/45/556170345.db2.gz NYTGVRSOTYTILW-UHFFFAOYSA-N 0 0 428.579 5.570 50 10 IKCARN O=[N+]([O-])c1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)cc1 ZINC000008431968 556171495 /nfs/dbraw/zinc/17/14/95/556171495.db2.gz MEUOJOIESTUYCE-HXUWFJFHSA-N 0 0 439.393 6.069 50 10 IKCARN Cc1cc(I)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008435037 556173052 /nfs/dbraw/zinc/17/30/52/556173052.db2.gz TWHFOXCYUSMAFM-FCEWJHQRSA-N 0 0 432.261 5.334 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1 ZINC000008437986 556173994 /nfs/dbraw/zinc/17/39/94/556173994.db2.gz LCZMSRHETVRHBM-CPNJWEJPSA-N 0 0 434.879 5.501 50 10 IKCARN CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000008443218 556177988 /nfs/dbraw/zinc/17/79/88/556177988.db2.gz NQNOWYYVUCPTLH-LDADJPATSA-N 0 0 425.315 6.676 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(Br)cc1OC(C)C ZINC000008444180 556178635 /nfs/dbraw/zinc/17/86/35/556178635.db2.gz CPRYREMEAKAQNP-ZDLGFXPLSA-N 0 0 443.341 5.359 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000008450659 556181672 /nfs/dbraw/zinc/18/16/72/556181672.db2.gz CNWYNTNPJSUWKO-QCIUGURRSA-N 0 0 433.581 5.376 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=N)S1 ZINC000008453015 556183446 /nfs/dbraw/zinc/18/34/46/556183446.db2.gz XGMUHYMQHYMDPI-MLDLNWIHSA-N 0 0 438.940 5.194 50 10 IKCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Cl)c1O ZINC000008456866 556186230 /nfs/dbraw/zinc/18/62/30/556186230.db2.gz KQQQWAGPPDBVJD-OVCLIPMQSA-N 0 0 435.705 5.013 50 10 IKCARN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)cc1 ZINC000008722502 556203415 /nfs/dbraw/zinc/20/34/15/556203415.db2.gz AFTNTXWVUHNCCI-QJOMJCCJSA-N 0 0 428.488 5.710 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000008826702 556224224 /nfs/dbraw/zinc/22/42/24/556224224.db2.gz RYFRCNFIVQDSJM-QGOAFFKASA-N 0 0 436.736 6.574 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000008829106 556225220 /nfs/dbraw/zinc/22/52/20/556225220.db2.gz MXJGTNPNGGFSJA-XLNRJJMWSA-N 0 0 435.439 5.689 50 10 aggregator IKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000008872216 556229982 /nfs/dbraw/zinc/22/99/82/556229982.db2.gz NHXKHHQKWKBPDS-QGOAFFKASA-N 0 0 447.288 5.829 50 10 IKCARN O=C(C(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)C(=O)c3ccccc3)ccc1-2)c1ccccc1 ZINC000009035661 556242031 /nfs/dbraw/zinc/24/20/31/556242031.db2.gz BXAZQKCGTLQSNQ-UHFFFAOYSA-N 0 0 444.442 5.029 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1 ZINC000009260841 556268727 /nfs/dbraw/zinc/26/87/27/556268727.db2.gz FHMPMEWOSLVXNT-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C ZINC000009296132 556275521 /nfs/dbraw/zinc/27/55/21/556275521.db2.gz RGGLGWCHFFILJU-XKZIYDEJSA-N 0 0 441.618 5.830 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000009311250 556279636 /nfs/dbraw/zinc/27/96/36/556279636.db2.gz GEHQXKIGZAICAA-FCDQGJHFSA-N 0 0 448.953 7.555 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c(C)c1 ZINC000009311229 556279709 /nfs/dbraw/zinc/27/97/09/556279709.db2.gz LWCSAZNNKXZKQO-RCCKNPSSSA-N 0 0 430.345 6.537 50 10 IKCARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000009601783 556302745 /nfs/dbraw/zinc/30/27/45/556302745.db2.gz LLEOTASCIBBAOE-QFIPXVFZSA-N 0 0 435.597 5.780 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000013770769 556305336 /nfs/dbraw/zinc/30/53/36/556305336.db2.gz MQWRIIKFOSWOKJ-PMOKRTJVSA-N 0 0 426.929 5.655 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccco1 ZINC000013773796 556306378 /nfs/dbraw/zinc/30/63/78/556306378.db2.gz KNNZOAPJSUDIIU-CPNJWEJPSA-N 0 0 443.546 5.041 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000013774518 556306873 /nfs/dbraw/zinc/30/68/73/556306873.db2.gz UEDVNXCSUFTGGE-RGEXLXHISA-N 0 0 445.009 5.523 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000013774316 556306993 /nfs/dbraw/zinc/30/69/93/556306993.db2.gz DRZJKYBZELNASG-RGEXLXHISA-N 0 0 428.554 5.008 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000013799060 556309869 /nfs/dbraw/zinc/30/98/69/556309869.db2.gz LEKTUPPNZNUPTC-QNGOZBTKSA-N 0 0 432.570 5.378 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000013811367 556312570 /nfs/dbraw/zinc/31/25/70/556312570.db2.gz DCLZNYZOKIDEBF-UDYNOARLSA-N 0 0 431.348 5.568 50 10 IKCARN CCOc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(Br)cc1OC ZINC000013882078 556326609 /nfs/dbraw/zinc/32/66/09/556326609.db2.gz OVBWIMOAGUJILH-ZDLGFXPLSA-N 0 0 432.339 5.226 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000013893466 556327519 /nfs/dbraw/zinc/32/75/19/556327519.db2.gz RJQCJRHXNXZWDJ-MJJUSULESA-N 0 0 433.320 5.673 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000013894152 556328336 /nfs/dbraw/zinc/32/83/36/556328336.db2.gz GFNRTRFRTLNLDF-ZTHFNACSSA-N 0 0 449.492 5.054 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCCCOc1ccccc1 ZINC000013940248 556337625 /nfs/dbraw/zinc/33/76/25/556337625.db2.gz XLUMMXOKYAPUDX-MOHJPFBDSA-N 0 0 446.934 5.994 50 10 IKCARN Cc1cccc(COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1 ZINC000013940497 556337991 /nfs/dbraw/zinc/33/79/91/556337991.db2.gz NGVLNKXIKVRMOD-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=N)S1 ZINC000013940911 556338176 /nfs/dbraw/zinc/33/81/76/556338176.db2.gz KWZBZSBWKBZRIV-BTHBKKPGSA-N 0 0 447.347 6.063 50 10 IKCARN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000014010569 556354821 /nfs/dbraw/zinc/35/48/21/556354821.db2.gz AUIBSMVRJKNJQN-DWGAWOTKSA-N 0 0 440.543 5.528 50 10 IKCARN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000014010567 556354854 /nfs/dbraw/zinc/35/48/54/556354854.db2.gz AUIBSMVRJKNJQN-CXTZRUPXSA-N 0 0 440.543 5.528 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccccc1Cl ZINC000032593917 556407544 /nfs/dbraw/zinc/40/75/44/556407544.db2.gz FCIJAEXUWJALCI-YBFXNURJSA-N 0 0 429.925 6.141 50 10 IKCARN COc1ccc(-c2c3c(nc4sc(C(=O)OCc5ccccc5)c(N)c42)CCC3)cc1 ZINC000013027707 556441060 /nfs/dbraw/zinc/44/10/60/556441060.db2.gz VMSMFBSPWVVNFY-UHFFFAOYSA-N 0 0 430.529 5.400 50 10 IKCARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl ZINC000028287543 556448025 /nfs/dbraw/zinc/44/80/25/556448025.db2.gz JRUVXOVXTZRWLZ-LJQANCHMSA-N 0 0 437.971 5.419 50 10 IKCARN Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1C ZINC000032694318 556448441 /nfs/dbraw/zinc/44/84/41/556448441.db2.gz FKBBJWKFXANQHP-XMHGGMMESA-N 0 0 444.647 5.765 50 10 IKCARN Cc1ccccc1NC(=O)c1cc2ccccc2c(C[N@H+]2CC=C(c3ccccc3)CC2)c1[O-] ZINC000013059091 556450026 /nfs/dbraw/zinc/45/00/26/556450026.db2.gz SYRKHGRPLWNISC-UHFFFAOYSA-N 0 0 448.566 6.395 50 10 IKCARN Cc1cc(C(=O)[C@H](C)OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013095517 556456668 /nfs/dbraw/zinc/45/66/68/556456668.db2.gz BZOFMNNHPCFDFE-HTUJPFKRSA-N 0 0 441.955 5.257 50 10 IKCARN CN(Cc1csc(-c2ccccc2)n1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014987268 556473410 /nfs/dbraw/zinc/47/34/10/556473410.db2.gz QRCOANVOZQMHQX-UHFFFAOYSA-N 0 0 443.597 6.424 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000013129276 556478908 /nfs/dbraw/zinc/47/89/08/556478908.db2.gz UJVKBIXRZWTPQK-UHFFFAOYSA-N 0 0 448.906 5.751 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1cccnc1 ZINC000015010821 556483124 /nfs/dbraw/zinc/48/31/24/556483124.db2.gz KTWUBWYJALOFPW-MFOYZWKCSA-N 0 0 447.368 6.050 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1c1ccccc1 ZINC000015011554 556483460 /nfs/dbraw/zinc/48/34/60/556483460.db2.gz KMOMMZWTQNZZCX-LDADJPATSA-N 0 0 442.359 6.115 50 10 IKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(Br)c2)cc(Cl)c2cccnc12 ZINC000015016781 556486194 /nfs/dbraw/zinc/48/61/94/556486194.db2.gz KNXAAGPALKKPMQ-IBGZPJMESA-N 0 0 440.728 5.953 50 10 IKCARN Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000015154100 556506854 /nfs/dbraw/zinc/50/68/54/556506854.db2.gz WAGCVUSAMQSCKQ-AWEZNQCLSA-N 0 0 448.853 5.172 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000013483198 556508212 /nfs/dbraw/zinc/50/82/12/556508212.db2.gz JFIBHZJYHDOGJY-NEAWXCLQSA-N 0 0 438.556 5.707 50 10 IKCARN CCOc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000013562588 556517936 /nfs/dbraw/zinc/51/79/36/556517936.db2.gz CBNWQFISHLOIQC-UHFFFAOYSA-N 0 0 443.506 6.740 50 10 IKCARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000015412343 556524760 /nfs/dbraw/zinc/52/47/60/556524760.db2.gz ZVWWSTAUWNNNTH-MHZLTWQESA-N 0 0 441.575 5.107 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1 ZINC000013576460 556526267 /nfs/dbraw/zinc/52/62/67/556526267.db2.gz BTJGVIOJTWTRLF-HAHDFKILSA-N 0 0 427.550 6.407 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000013590113 556529072 /nfs/dbraw/zinc/52/90/72/556529072.db2.gz BBQVWLIXFPVEJI-SILNSSARSA-N 0 0 440.590 5.096 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 ZINC000013591036 556529297 /nfs/dbraw/zinc/52/92/97/556529297.db2.gz KLNVGBWTPQFILY-YBFXNURJSA-N 0 0 446.380 6.655 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 ZINC000032107012 556530067 /nfs/dbraw/zinc/53/00/67/556530067.db2.gz RELBRUBTDSFJAL-QGOAFFKASA-N 0 0 440.377 5.082 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000013596066 556531912 /nfs/dbraw/zinc/53/19/12/556531912.db2.gz FNDRBZHVJIXFFF-PXNMLYILSA-N 0 0 425.453 5.128 50 10 IKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)cc1 ZINC000013615654 556535312 /nfs/dbraw/zinc/53/53/12/556535312.db2.gz UVNPTJZROZFPOB-STZFKDTASA-N 0 0 434.879 5.583 50 10 IKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000013640943 556542149 /nfs/dbraw/zinc/54/21/49/556542149.db2.gz MUDMZZZWAQDKBZ-CRTZDJKQSA-N 0 0 440.754 6.499 50 10 IKCARN COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000032694312 556546583 /nfs/dbraw/zinc/54/65/83/556546583.db2.gz YAYAYCIALINEPN-NBVRZTHBSA-N 0 0 446.619 5.157 50 10 IKCARN Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C ZINC000032694316 556546672 /nfs/dbraw/zinc/54/66/72/556546672.db2.gz PRYFEHPGVROOON-XMHGGMMESA-N 0 0 444.647 5.765 50 10 IKCARN CCn1c(-c2ccccc2)cnc1SCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000032724359 556548431 /nfs/dbraw/zinc/54/84/31/556548431.db2.gz RCVGLAMKZMSVOA-UHFFFAOYSA-N 0 0 448.617 5.808 50 10 IKCARN Cc1cc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)ccc1Cl ZINC000015800507 556553102 /nfs/dbraw/zinc/55/31/02/556553102.db2.gz UTUHWJQHYQPZOC-NDENLUEZSA-N 0 0 442.993 5.513 50 10 IKCARN Cc1ccc([C@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000015821826 556554078 /nfs/dbraw/zinc/55/40/78/556554078.db2.gz OQNQXFLPBUDTCY-QHCPKHFHSA-N 0 0 432.907 5.187 50 10 biogenic IKCARN CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000015947811 556568684 /nfs/dbraw/zinc/56/86/84/556568684.db2.gz GDAVIIMNADPHBO-QPFGOUBPSA-N 0 0 427.353 5.713 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1 ZINC000033908244 556568973 /nfs/dbraw/zinc/56/89/73/556568973.db2.gz GBUGGIVGXOSDSB-CJLVFECKSA-N 0 0 433.554 6.283 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=N)S1 ZINC000034852639 556583812 /nfs/dbraw/zinc/58/38/12/556583812.db2.gz AOYCMJFINWQUBF-NJOZZACWSA-N 0 0 425.945 5.085 50 10 IKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21)N1CCOCC1 ZINC000016115426 556583885 /nfs/dbraw/zinc/58/38/85/556583885.db2.gz MZXBRFVCLOJESL-ZOCZFRKYSA-N 0 0 429.347 5.292 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(C)cc1 ZINC000034864952 556584591 /nfs/dbraw/zinc/58/45/91/556584591.db2.gz CZVKKZVTHBTCRX-ULJHMMPZSA-N 0 0 442.515 5.268 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000016134222 556584852 /nfs/dbraw/zinc/58/48/52/556584852.db2.gz YMSCOWUUIXKYPC-WTHRLWDASA-N 0 0 446.510 5.299 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C2=N)S1 ZINC000032964131 556585046 /nfs/dbraw/zinc/58/50/46/556585046.db2.gz FQOQDTXLNJOWEN-BIKZESPJSA-N 0 0 432.336 5.203 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000032964216 556586817 /nfs/dbraw/zinc/58/68/17/556586817.db2.gz VOPBHONBHQBYMY-SLWLXCFBSA-N 0 0 425.945 5.330 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C2=N)S1 ZINC000032964407 556587103 /nfs/dbraw/zinc/58/71/03/556587103.db2.gz YKNNFIBLFVDSJR-DZNWFHFXSA-N 0 0 445.470 5.161 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 ZINC000016192664 556588779 /nfs/dbraw/zinc/58/87/79/556588779.db2.gz YMDXXZNDQQUJMI-AZSVPQILSA-N 0 0 440.974 6.760 50 10 IKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)cc1 ZINC000016267576 556595901 /nfs/dbraw/zinc/59/59/01/556595901.db2.gz HAJGJJKGKRSJML-UNOMPAQXSA-N 0 0 439.514 5.118 50 10 IKCARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000016448862 556608937 /nfs/dbraw/zinc/60/89/37/556608937.db2.gz QHCYDFLRIGCOKI-LPMFXHHGSA-N 0 0 431.286 5.201 50 10 IKCARN Cc1ccc([N+](=O)[O-])cc1NN=C1c2ccccc2C=C(C(=O)Nc2ccccc2)C1=O ZINC000038611049 556615069 /nfs/dbraw/zinc/61/50/69/556615069.db2.gz XYZMEPHFXJHGIX-CYYJNZCTSA-N 0 0 426.432 6.430 50 10 IKCARN Cc1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccccc3C)C2=O)c([N+](=O)[O-])c1 ZINC000038611058 556615102 /nfs/dbraw/zinc/61/51/02/556615102.db2.gz ZULWYEUQOYBFOW-BYYHNAKLSA-N 0 0 440.459 6.738 50 10 IKCARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100555835 556619368 /nfs/dbraw/zinc/61/93/68/556619368.db2.gz VDUKWUUTFOGHJR-OEAKJJBVSA-N 0 0 436.433 6.091 50 10 IKCARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(N(C)C)cc1)CC2 ZINC000016672212 556622021 /nfs/dbraw/zinc/62/20/21/556622021.db2.gz ZLVPBCWNMROIEP-AREMUKBSSA-N 0 0 436.983 5.571 50 10 IKCARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC000016672153 556622053 /nfs/dbraw/zinc/62/20/53/556622053.db2.gz VMQTWCRNUUAREG-VWLOTQADSA-N 0 0 439.939 5.219 50 10 IKCARN COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000016675793 556622357 /nfs/dbraw/zinc/62/23/57/556622357.db2.gz WODYEKSMXZVQML-UNOMPAQXSA-N 0 0 445.487 6.273 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC ZINC000016688815 556627111 /nfs/dbraw/zinc/62/71/11/556627111.db2.gz WPCJQDZAUHVPJH-YVLHZVERSA-N 0 0 439.480 5.519 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C ZINC000016700632 556629841 /nfs/dbraw/zinc/62/98/41/556629841.db2.gz CPTGXRSGYGRICX-BKUYFWCQSA-N 0 0 449.601 5.466 50 10 IKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)SC1=Cc1c[nH]nc1-c1ccccc1 ZINC000016713893 556630632 /nfs/dbraw/zinc/63/06/32/556630632.db2.gz SLWXFCRSCZNISO-JWGURIENSA-N 0 0 428.561 5.002 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O ZINC000016739412 556634219 /nfs/dbraw/zinc/63/42/19/556634219.db2.gz KRNCCICZWBJSHK-XCFXSZPASA-N 0 0 436.602 5.561 50 10 IKCARN CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc4ccccc43)cc2)SC1=S ZINC000016741216 556634929 /nfs/dbraw/zinc/63/49/29/556634929.db2.gz FZQYRYURCSJKOY-CJLVFECKSA-N 0 0 447.581 6.060 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O ZINC000016746046 556636670 /nfs/dbraw/zinc/63/66/70/556636670.db2.gz HHWWWHBZQZJUQF-JQILVBFNSA-N 0 0 436.602 5.561 50 10 IKCARN CC(C)CN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016750564 556637065 /nfs/dbraw/zinc/63/70/65/556637065.db2.gz SEYUOVFRCPIFKL-MLPAPPSSSA-N 0 0 430.776 5.706 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S ZINC000016805261 556643329 /nfs/dbraw/zinc/64/33/29/556643329.db2.gz FAUHLPXVAPUHQB-PDGQHHTCSA-N 0 0 448.598 5.370 50 10 IKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000017373724 556676901 /nfs/dbraw/zinc/67/69/01/556676901.db2.gz VOCHNBPBPGXRHT-RCCKNPSSSA-N 0 0 438.618 5.486 50 10 IKCARN Cc1ccc(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)cc1C ZINC000033031541 556711134 /nfs/dbraw/zinc/71/11/34/556711134.db2.gz GPSRZHDKHWYJAF-UHFFFAOYSA-N 0 0 434.583 7.282 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000033888621 556719800 /nfs/dbraw/zinc/71/98/00/556719800.db2.gz HZSSYSHUUQNDOU-SOCMUZGNSA-N 0 0 432.336 5.040 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000033887723 556719896 /nfs/dbraw/zinc/71/98/96/556719896.db2.gz MLEJVQZSRKGHRQ-NLFWRFBQSA-N 0 0 449.555 5.433 50 10 IKCARN CC(C)COc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033909228 556723404 /nfs/dbraw/zinc/72/34/04/556723404.db2.gz JPOBYFNEKUHMFI-JLPGSUDCSA-N 0 0 441.487 5.464 50 10 IKCARN Clc1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000101166951 556730106 /nfs/dbraw/zinc/73/01/06/556730106.db2.gz DACBWLIZQKHTQJ-BWACUDIHSA-N 0 0 442.127 6.425 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)=O ZINC000033921899 556731445 /nfs/dbraw/zinc/73/14/45/556731445.db2.gz FVOWRICERHTKTC-SXGWCWSVSA-N 0 0 433.291 5.124 50 10 IKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1cccs1 ZINC000013779143 556731817 /nfs/dbraw/zinc/73/18/17/556731817.db2.gz UFIKSCMEOFNNCY-RELWKKBWSA-N 0 0 445.613 5.126 50 10 IKCARN O=C(c1ccccc1Cl)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000408822066 556750845 /nfs/dbraw/zinc/75/08/45/556750845.db2.gz DMJQSMMLONMENN-NTEUORMPSA-N 0 0 438.755 5.144 50 10 IKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)cc1 ZINC000002097932 556759167 /nfs/dbraw/zinc/75/91/67/556759167.db2.gz CDRPREWFAAIKMU-VXQMPNGUSA-N 0 0 436.596 5.050 50 10 biogenic,in-vitro IKCARN O=C(COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1)N1CCCCC1 ZINC000001100969 556765968 /nfs/dbraw/zinc/76/59/68/556765968.db2.gz UINQBVNBGHZANO-OARDWFSCSA-N 0 0 438.571 6.058 50 10 IKCARN O=C1NC(=S)S/C1=C\C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000002157377 556799334 /nfs/dbraw/zinc/79/93/34/556799334.db2.gz SRJBWPHRVUAJIX-GYZZIOIESA-N 0 0 427.550 5.654 50 10 IKCARN CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc4c(c1)C(=O)c1ccccc1C4=O)(C2)C3 ZINC000005445989 556803827 /nfs/dbraw/zinc/80/38/27/556803827.db2.gz JLHNHXHERDWZCW-UHFFFAOYSA-N 0 0 427.544 5.787 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)SC1=S ZINC000003361233 556811792 /nfs/dbraw/zinc/81/17/92/556811792.db2.gz TYEUESJMYCGGEU-PXNMLYILSA-N 0 0 444.931 5.987 50 10 IKCARN O=C(c1ccccc1Cl)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000016449234 556845447 /nfs/dbraw/zinc/84/54/47/556845447.db2.gz JGJJVLGFKMSNTA-NTEUORMPSA-N 0 0 438.755 5.144 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c(C)n1-c1ccc(F)cc1 ZINC000008826344 556849206 /nfs/dbraw/zinc/84/92/06/556849206.db2.gz HGXTWEVFPLHPCH-UHFFFAOYSA-N 0 0 446.507 5.740 50 10 IKCARN Cc1ccc(CNC(=O)c2ccc(-n3c(-c4ccc(F)cc4)cc4c3CCCCC4)cc2)o1 ZINC000033114835 556861488 /nfs/dbraw/zinc/86/14/88/556861488.db2.gz JZWPXSCCTSRIER-UHFFFAOYSA-N 0 0 442.534 6.384 50 10 IKCARN CC[C@@H]1CCCCN1C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097955931 556862809 /nfs/dbraw/zinc/86/28/09/556862809.db2.gz CJKDINQBCBIBJT-WIKLCLPYSA-N 0 0 444.457 5.887 50 10 IKCARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(/N=N/[C@H]3C(=O)Nc4c3cccc4C(F)(F)F)cc2)C1 ZINC000097955973 556873542 /nfs/dbraw/zinc/87/35/42/556873542.db2.gz DNDVUVUSSISDDK-SUBYOAEQSA-N 0 0 444.457 5.601 50 10 IKCARN C[C@@H]1CCCCN1C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097955975 556873583 /nfs/dbraw/zinc/87/35/83/556873583.db2.gz ZWGHCWGHQBIICU-XXYSBUBOSA-N 0 0 430.430 5.497 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033153883 556878473 /nfs/dbraw/zinc/87/84/73/556878473.db2.gz MDHJAUBFUQLHFT-VFHVDCSJSA-N 0 0 431.904 5.904 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1Cl ZINC000033149741 556878506 /nfs/dbraw/zinc/87/85/06/556878506.db2.gz VFHADOXUMSWDKD-CPWDNUMFSA-N 0 0 426.929 5.574 50 10 IKCARN Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000019798341 556916779 /nfs/dbraw/zinc/91/67/79/556916779.db2.gz UAEATRHZSOKKBH-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 ZINC000019799292 556916995 /nfs/dbraw/zinc/91/69/95/556916995.db2.gz KGMAWZXJYABZRY-BKUYFWCQSA-N 0 0 433.489 5.239 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000019893364 556940078 /nfs/dbraw/zinc/94/00/78/556940078.db2.gz LGPWBLSLPNPWQU-DEDYPNTBSA-N 0 0 441.961 6.405 50 10 IKCARN COc1ccccc1OCCn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21 ZINC000020059489 556975553 /nfs/dbraw/zinc/97/55/53/556975553.db2.gz NCFSWZTYLBRCGD-KGENOOAVSA-N 0 0 444.918 5.875 50 10 IKCARN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)c2ccccc21 ZINC000020059387 556975579 /nfs/dbraw/zinc/97/55/79/556975579.db2.gz ZHFVPEWNFICHMG-LPYMAVHISA-N 0 0 443.344 5.969 50 10 IKCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000020059497 556975585 /nfs/dbraw/zinc/97/55/85/556975585.db2.gz SLSIDMAGUXZGIP-LPYMAVHISA-N 0 0 432.882 6.006 50 10 IKCARN COc1ccc(OCCn2cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c3ccccc32)cc1 ZINC000020059487 556975587 /nfs/dbraw/zinc/97/55/87/556975587.db2.gz CQEUEZFFRRNZQQ-OEAKJJBVSA-N 0 0 444.918 5.875 50 10 IKCARN O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000020059371 556975596 /nfs/dbraw/zinc/97/55/96/556975596.db2.gz LKYHDVYWNBJBQP-FYJGNVAPSA-N 0 0 429.317 5.945 50 10 IKCARN S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccccc2)CC1 ZINC000023115452 557005801 /nfs/dbraw/zinc/00/58/01/557005801.db2.gz HKZMFCNYYNPEGF-UHFFFAOYSA-N 0 0 431.388 5.747 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C3CC3)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000011275458 557032992 /nfs/dbraw/zinc/03/29/92/557032992.db2.gz YFDNSPBFDSUDFW-ZDUSSCGKSA-N 0 0 432.496 5.055 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(C3CC3)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000011275455 557033137 /nfs/dbraw/zinc/03/31/37/557033137.db2.gz YFDNSPBFDSUDFW-CYBMUJFWSA-N 0 0 432.496 5.055 50 10 IKCARN CCN1C(=O)/C(=C\c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)SC1=S ZINC000033294136 557072279 /nfs/dbraw/zinc/07/22/79/557072279.db2.gz JLSCMQXKKWCQFR-VGOFMYFVSA-N 0 0 448.780 6.040 50 10 IKCARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000033334247 557117586 /nfs/dbraw/zinc/11/75/86/557117586.db2.gz JIXQEESVSHUPHY-LFVJCYFKSA-N 0 0 426.516 5.280 50 10 IKCARN COc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000033332304 557117605 /nfs/dbraw/zinc/11/76/05/557117605.db2.gz CNNZSIKJFXZAPB-CXUHLZMHSA-N 0 0 439.231 5.283 50 10 IKCARN Cc1oc(C)c2c1C(=O)C=CC(=NNc1ccc(C)c(NC(=O)c3ccccc3)c1)C2=O ZINC000098086994 557123644 /nfs/dbraw/zinc/12/36/44/557123644.db2.gz NOXUKCWVLPYIEI-BYYHNAKLSA-N 0 0 427.460 6.092 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 ZINC000033351767 557128141 /nfs/dbraw/zinc/12/81/41/557128141.db2.gz ZIFKMVZTHATSNK-XDHOZWIPSA-N 0 0 445.487 6.680 50 10 IKCARN COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000009010392 557130535 /nfs/dbraw/zinc/13/05/35/557130535.db2.gz MEFSZRVSQIJVBG-IQUTYRLHSA-N 0 0 433.289 5.135 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c([C@H](c1cccnc1)[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000024303248 557143591 /nfs/dbraw/zinc/14/35/91/557143591.db2.gz IAQKXFGPYLIQMT-DEOSSOPVSA-N 0 0 444.531 5.747 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3OC(F)F)SC2=S)cc1 ZINC000097993225 557187505 /nfs/dbraw/zinc/18/75/05/557187505.db2.gz KNBOSRBWPZSCTP-NVNXTCNLSA-N 0 0 443.443 5.604 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025559794 557214349 /nfs/dbraw/zinc/21/43/49/557214349.db2.gz DTJHCLKMMLTZFG-JXFKEZNVSA-N 0 0 445.700 5.643 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025558719 557214364 /nfs/dbraw/zinc/21/43/64/557214364.db2.gz VGXKXBKMGRGZBW-UGKGYDQZSA-N 0 0 445.733 6.595 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559801 557214451 /nfs/dbraw/zinc/21/44/51/557214451.db2.gz DTJHCLKMMLTZFG-UZLBHIALSA-N 0 0 445.700 5.643 50 10 IKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572788 557215074 /nfs/dbraw/zinc/21/50/74/557215074.db2.gz IEFJFGHRKIGBDM-KNQAVFIVSA-N 0 0 439.284 5.536 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccccc1 ZINC000013600724 557229118 /nfs/dbraw/zinc/22/91/18/557229118.db2.gz SXZLMCMBOMPILF-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C1CCCCC1 ZINC000026687039 557246473 /nfs/dbraw/zinc/24/64/73/557246473.db2.gz XCDIOPMBNVFORS-WQRHYEAKSA-N 0 0 438.401 6.787 50 10 IKCARN O=C(C(=O)c1ccc2c(c1)sc1cc(C(=O)C(=O)c3ccccc3)ccc12)c1ccccc1 ZINC000018194162 557247236 /nfs/dbraw/zinc/24/72/36/557247236.db2.gz MAZZDWBYJOQDEJ-UHFFFAOYSA-N 0 0 448.499 6.186 50 10 IKCARN O=C(C(=O)c1ccc2c(c1)oc1cc(C(=O)C(=O)c3ccccc3)ccc12)c1ccccc1 ZINC000018194159 557247300 /nfs/dbraw/zinc/24/73/00/557247300.db2.gz HJJDEHFEDXASCI-UHFFFAOYSA-N 0 0 432.431 5.717 50 10 IKCARN O=C(c1ccccc1)c1cc(Cl)ccc1NC=Cc1nnnn1-c1ccc(Cl)cc1 ZINC000100227372 557249502 /nfs/dbraw/zinc/24/95/02/557249502.db2.gz FAHMBUZZAVMKAQ-OUKQBFOZSA-N 0 0 436.302 5.283 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000100233084 557250226 /nfs/dbraw/zinc/25/02/26/557250226.db2.gz JSBLPQHIHCCHSR-BUVRLJJBSA-N 0 0 436.471 5.404 50 10 IKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000027018103 557254365 /nfs/dbraw/zinc/25/43/65/557254365.db2.gz GWAQBXYMGYFLLM-JWGURIENSA-N 0 0 447.629 6.239 50 10 IKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000100324195 557257691 /nfs/dbraw/zinc/25/76/91/557257691.db2.gz QQDNTJJSUPFHHL-JJIBRWJFSA-N 0 0 441.487 5.760 50 10 IKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 ZINC000000826366 557270406 /nfs/dbraw/zinc/27/04/06/557270406.db2.gz VOKCXPZLBIDMRZ-UHFFFAOYSA-N 0 0 436.309 5.576 50 10 IKCARN COc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000000826716 557270631 /nfs/dbraw/zinc/27/06/31/557270631.db2.gz VZMKDJOWKZIFHB-UHFFFAOYSA-N 0 0 449.510 6.356 50 10 IKCARN O=C1c2ccccc2-c2ccc(-c3[nH]c(-c4ccc(O)c(O)c4)nc3-c3ccccc3)cc21 ZINC000000827349 557270782 /nfs/dbraw/zinc/27/07/82/557270782.db2.gz JQCQZMHCZNUUDM-UHFFFAOYSA-N 0 0 430.463 6.033 50 10 IKCARN CCCCC1(/N=N/c2cccc(O)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000100954429 557279602 /nfs/dbraw/zinc/27/96/02/557279602.db2.gz CVQNSYWYKGSRJY-CYYJNZCTSA-N 0 0 428.492 5.400 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000101426856 557283682 /nfs/dbraw/zinc/28/36/82/557283682.db2.gz WQWJJQNMZXNYNB-KOEQRZSOSA-N 0 0 440.543 5.670 50 10 IKCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000101471020 557290531 /nfs/dbraw/zinc/29/05/31/557290531.db2.gz PVMKBTFVKIEXPW-HYARGMPZSA-N 0 0 447.878 5.633 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc(Cl)c1Cl ZINC000101664938 557293856 /nfs/dbraw/zinc/29/38/56/557293856.db2.gz JWSUPPLTLIENAG-SFQUDFHCSA-N 0 0 432.303 5.269 50 10 IKCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C ZINC000101665005 557293929 /nfs/dbraw/zinc/29/39/29/557293929.db2.gz LPWOXHVPFRSEFH-DEDYPNTBSA-N 0 0 440.971 5.466 50 10 IKCARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000101854361 557295892 /nfs/dbraw/zinc/29/58/92/557295892.db2.gz XKVSHNLQIOZNHH-ZFGGDYGUSA-N 0 0 445.906 6.327 50 10 IKCARN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000102069712 557312607 /nfs/dbraw/zinc/31/26/07/557312607.db2.gz MWPIHIXYMYKFQK-FHSNZYRGSA-N 0 0 442.127 6.425 50 10 IKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21)N1CCOCC1 ZINC000103216994 557313623 /nfs/dbraw/zinc/31/36/23/557313623.db2.gz MZXBRFVCLOJESL-XFQAVAEZSA-N 0 0 429.347 5.292 50 10 IKCARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031555 557321587 /nfs/dbraw/zinc/32/15/87/557321587.db2.gz SHTBDDHHLYMQFP-LVXARBLLSA-N 0 0 426.604 6.722 50 10 IKCARN O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccccc1 ZINC000033409079 557334727 /nfs/dbraw/zinc/33/47/27/557334727.db2.gz OUNCEWHIGDFYQI-HMAPJEAMSA-N 0 0 435.545 5.806 50 10 IKCARN Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000100148589 557335351 /nfs/dbraw/zinc/33/53/51/557335351.db2.gz HZHUDUDXCWBVFO-JXMROGBWSA-N 0 0 449.552 6.672 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000100148057 557335460 /nfs/dbraw/zinc/33/54/60/557335460.db2.gz XOCMUVCNFGHPTC-SFQUDFHCSA-N 0 0 430.813 6.425 50 10 IKCARN CCC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158117 557337464 /nfs/dbraw/zinc/33/74/64/557337464.db2.gz HSGMICCUKQBPHL-SDXDJHTJSA-N 0 0 444.482 5.058 50 10 IKCARN CCCN(CCC)C(=O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(NC(C)=O)cc1 ZINC000023426025 557353489 /nfs/dbraw/zinc/35/34/89/557353489.db2.gz BZVCFTMBISOOFQ-UHFFFAOYSA-N 0 0 449.570 5.823 50 10 IKCARN CCN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000100200283 557366120 /nfs/dbraw/zinc/36/61/20/557366120.db2.gz CQBVYNYPCXVZHX-ZPHPHTNESA-N 0 0 433.023 5.544 50 10 IKCARN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000033797550 557367967 /nfs/dbraw/zinc/36/79/67/557367967.db2.gz FQHYQHWJULFYEC-ZGQPYEHWSA-N 0 0 448.548 5.110 50 10 IKCARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1OC ZINC000102719754 557375590 /nfs/dbraw/zinc/37/55/90/557375590.db2.gz RKIUPKCDMPZRHJ-CMJOXMDJSA-N 0 0 448.475 5.019 50 10 IKCARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1OC ZINC000102719750 557375672 /nfs/dbraw/zinc/37/56/72/557375672.db2.gz RKIUPKCDMPZRHJ-WNSKOXEYSA-N 0 0 448.475 5.019 50 10 IKCARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1OC ZINC000102719744 557375767 /nfs/dbraw/zinc/37/57/67/557375767.db2.gz RKIUPKCDMPZRHJ-NPMXOYFQSA-N 0 0 448.475 5.019 50 10 IKCARN CCCCCCc1cc2c(cc1OCC(=O)OC(C)(C)C)oc(=O)cc2-c1ccccc1 ZINC000011692386 557388386 /nfs/dbraw/zinc/38/83/86/557388386.db2.gz CGGVFRDAPKAYBB-UHFFFAOYSA-N 0 0 436.548 6.303 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1C1CCCCC1 ZINC000033442664 557398625 /nfs/dbraw/zinc/39/86/25/557398625.db2.gz YUKGXGUNPZZWHG-WQRHYEAKSA-N 0 0 448.953 6.042 50 10 IKCARN O=C1c2ccccc2C(c2c(O)ccc3ccccc32)=CC1=NNc1cccc2cccnc21 ZINC000100482664 557409092 /nfs/dbraw/zinc/40/90/92/557409092.db2.gz SIDIAVHUCKEBLW-QNEJGDQOSA-N 0 0 441.490 8.035 50 10 biogenic IKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)c1 ZINC000103562866 557438930 /nfs/dbraw/zinc/43/89/30/557438930.db2.gz QZXLWERSGYMXMQ-UGKGYDQZSA-N 0 0 436.309 5.100 50 10 IKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c1 ZINC000103562861 557438972 /nfs/dbraw/zinc/43/89/72/557438972.db2.gz ZJCDYTJRXLMTPK-KNQAVFIVSA-N 0 0 436.309 5.100 50 10 IKCARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)[C@H]1C ZINC000103721324 557440660 /nfs/dbraw/zinc/44/06/60/557440660.db2.gz LYGPTKUKZCLVNO-SWYRRKHMSA-N 0 0 426.604 6.578 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000103881152 557442582 /nfs/dbraw/zinc/44/25/82/557442582.db2.gz MXJGTNPNGGFSJA-OQKWZONESA-N 0 0 435.439 5.689 50 10 IKCARN COc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000109108112 557545640 /nfs/dbraw/zinc/54/56/40/557545640.db2.gz JNNSHVDRQGADAW-YBFXNURJSA-N 0 0 437.839 5.323 50 10 IKCARN O=C(c1cc2sc(N3CCCC3)nc2s1)N(Cc1ccco1)Cc1ccccc1O ZINC000225421897 557721400 /nfs/dbraw/zinc/72/14/00/557721400.db2.gz VNHMLNXWRFOREX-UHFFFAOYSA-N 0 0 439.562 5.099 50 10 IKCARN CCOc1ccc(-c2nc(COC(=O)[C@H](CC)Cc3ccc(N)cc3)cs2)cc1OC ZINC000225613473 557752164 /nfs/dbraw/zinc/75/21/64/557752164.db2.gz YDMWATHZXWZWIT-QGZVFWFLSA-N 0 0 440.565 5.112 50 10 IKCARN COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000226849305 557809922 /nfs/dbraw/zinc/80/99/22/557809922.db2.gz VSNYNWKZXCVVPL-TZBSWOFLSA-N 0 0 430.935 6.427 50 10 IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2oc1C(F)(F)F ZINC000000946473 562919725 /nfs/dbraw/zinc/91/97/25/562919725.db2.gz HJLUWROVCFUBNV-AWEZNQCLSA-N 0 0 447.453 5.567 50 10 IKCARN O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc2ccccc2c1 ZINC000001197782 562920906 /nfs/dbraw/zinc/92/09/06/562920906.db2.gz XAXIIMXGVXUAGS-UHFFFAOYSA-N 0 0 428.307 5.262 50 10 IKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000001747677 562924622 /nfs/dbraw/zinc/92/46/22/562924622.db2.gz KFSLKJHUGLVEPH-UHFFFAOYSA-N 0 0 437.845 5.824 50 10 IKCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000001778909 562924695 /nfs/dbraw/zinc/92/46/95/562924695.db2.gz FMNVZXJQKLMQJD-UHFFFAOYSA-N 0 0 439.433 5.816 50 10 IKCARN CCOc1ccc(NC(=O)c2c(NCc3sccc3C)sc3c2CCCCC3)cc1 ZINC000002909665 562930452 /nfs/dbraw/zinc/93/04/52/562930452.db2.gz JQZYCBPDXJNGRO-UHFFFAOYSA-N 0 0 440.634 6.650 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCCC3)c(OC)c1 ZINC000002909636 562930483 /nfs/dbraw/zinc/93/04/83/562930483.db2.gz FJQZWGZOKWWYHT-UHFFFAOYSA-N 0 0 440.565 5.800 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCCCC2 ZINC000002909680 562930505 /nfs/dbraw/zinc/93/05/05/562930505.db2.gz CEEXTYTYFAOORT-UHFFFAOYSA-N 0 0 444.984 6.445 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3cccc(C)c3)c2)c1C ZINC000002928790 562930625 /nfs/dbraw/zinc/93/06/25/562930625.db2.gz MKVFFWVORLBZQQ-UHFFFAOYSA-N 0 0 438.527 6.190 50 10 aggregator IKCARN COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)c(OC)c1 ZINC000003065939 562932452 /nfs/dbraw/zinc/93/24/52/562932452.db2.gz IBQKSVLVDJELOZ-UHFFFAOYSA-N 0 0 426.513 5.258 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1Cc1ccccc1 ZINC000007018747 562948633 /nfs/dbraw/zinc/94/86/33/562948633.db2.gz FCMHQKZUIPDBIS-HYARGMPZSA-N 0 0 435.545 5.806 50 10 IKCARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000008612153 562959036 /nfs/dbraw/zinc/95/90/36/562959036.db2.gz WFPYRKJDBORZLX-UHFFFAOYSA-N 0 0 447.362 5.894 50 10 aggregator IKCARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000008613823 562959438 /nfs/dbraw/zinc/95/94/38/562959438.db2.gz IHYMYVXTZIQQFX-HXUWFJFHSA-N 0 0 440.971 5.590 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000008684626 562962256 /nfs/dbraw/zinc/96/22/56/562962256.db2.gz NSIOGGRBQCULCL-RLRFCYPDSA-N 0 0 433.581 5.376 50 10 IKCARN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000008828840 562964579 /nfs/dbraw/zinc/96/45/79/562964579.db2.gz LLJPZJHEYLELEQ-MOHJPFBDSA-N 0 0 448.478 5.568 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000008872094 562965504 /nfs/dbraw/zinc/96/55/04/562965504.db2.gz BWJCGMLRNXTTJU-WOJGMQOQSA-N 0 0 432.353 6.659 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1 ZINC000019792864 563022945 /nfs/dbraw/zinc/02/29/45/563022945.db2.gz KQNHXXAQSDRZCK-UHFFFAOYSA-N 0 0 433.426 5.604 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1 ZINC000019792868 563022997 /nfs/dbraw/zinc/02/29/97/563022997.db2.gz KHWDWMQAZPISJY-OAHLLOKOSA-N 0 0 447.453 5.993 50 10 IKCARN C(=C/c1ccnc2ccccc12)\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000036381182 563093799 /nfs/dbraw/zinc/09/37/99/563093799.db2.gz MDJFGVXWENVWGN-OBGWFSINSA-N 0 0 426.563 7.612 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)n1-c1ccccc1 ZINC000000952679 568645705 /nfs/dbraw/zinc/64/57/05/568645705.db2.gz YWVSIZLRGTYFTG-UHFFFAOYSA-N 0 0 433.602 5.953 50 10 IKCARN COc1cccc(CN(C(=S)NCc2ccccc2)c2ccc(F)c(Cl)c2)c1O ZINC000001079291 568656812 /nfs/dbraw/zinc/65/68/12/568656812.db2.gz QCDDWQIWPUFKNR-UHFFFAOYSA-N 0 0 430.932 5.275 50 10 IKCARN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 ZINC000001140013 568660832 /nfs/dbraw/zinc/66/08/32/568660832.db2.gz SMQLHVUCAPOZMG-XDHOZWIPSA-N 0 0 439.489 5.278 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000001157146 568663887 /nfs/dbraw/zinc/66/38/87/568663887.db2.gz QMJYALQHUQUUHD-OHUGHZGNSA-N 0 0 425.484 5.519 50 10 IKCARN C(=C\c1ccnc2ccccc12)\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000211169589 568732174 /nfs/dbraw/zinc/73/21/74/568732174.db2.gz MDJFGVXWENVWGN-SDXDJHTJSA-N 0 0 426.563 7.612 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001180681 568736004 /nfs/dbraw/zinc/73/60/04/568736004.db2.gz AAQFMRCJNSFSBK-MFOYZWKCSA-N 0 0 440.373 5.412 50 10 IKCARN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 ZINC000001180810 568736005 /nfs/dbraw/zinc/73/60/05/568736005.db2.gz KVYCEFDUMYZHQW-AQTBWJFISA-N 0 0 430.982 5.269 50 10 IKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1 ZINC000001183001 568736184 /nfs/dbraw/zinc/73/61/84/568736184.db2.gz VKIVWMRTLXYVLM-WJDWOHSUSA-N 0 0 437.373 5.223 50 10 IKCARN CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 ZINC000001181229 568736205 /nfs/dbraw/zinc/73/62/05/568736205.db2.gz DXRJWKRVWYHUDW-HKWRFOASSA-N 0 0 440.590 5.014 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCCC1 ZINC000001796016 568740239 /nfs/dbraw/zinc/74/02/39/568740239.db2.gz WVDIMIVWIGYONS-YDIMBITNSA-N 0 0 441.402 6.836 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000001217418 568740673 /nfs/dbraw/zinc/74/06/73/568740673.db2.gz HGPXXCMTBJIGJD-JCMHNJIXSA-N 0 0 446.597 5.632 50 10 IKCARN Fc1ccc(CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2Cc2ccccc2)cc1 ZINC000044086382 568747886 /nfs/dbraw/zinc/74/78/86/568747886.db2.gz UTBSGGJMSSMIRS-UHFFFAOYSA-N 0 0 443.374 7.337 50 10 IKCARN Clc1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccccc2)cc1Cl ZINC000044086380 568747974 /nfs/dbraw/zinc/74/79/74/568747974.db2.gz AUYSMDPKBBOKIE-UHFFFAOYSA-N 0 0 425.384 7.198 50 10 IKCARN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000003768786 568754444 /nfs/dbraw/zinc/75/44/44/568754444.db2.gz JHEUFDMKFHIXKL-REIAIGDLSA-N 0 0 427.591 5.895 50 10 IKCARN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000003768804 568754464 /nfs/dbraw/zinc/75/44/64/568754464.db2.gz MDAFNNBLJAHSBD-HTMJNSLASA-N 0 0 448.407 6.032 50 10 IKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC ZINC000003769487 568754607 /nfs/dbraw/zinc/75/46/07/568754607.db2.gz GFLBVORTDHABGW-VCHYOVAHSA-N 0 0 437.945 5.682 50 10 IKCARN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000003769435 568754636 /nfs/dbraw/zinc/75/46/36/568754636.db2.gz VYVKFLLYMHIFGA-PXLXIMEGSA-N 0 0 434.586 5.710 50 10 IKCARN Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O ZINC000003875540 568754870 /nfs/dbraw/zinc/75/48/70/568754870.db2.gz SOHQSWHUIQYXPT-UHFFFAOYSA-N 0 0 442.470 5.521 50 10 biogenic IKCARN Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000004048160 568759887 /nfs/dbraw/zinc/75/98/87/568759887.db2.gz MWPIHIXYMYKFQK-ZJNRKIDTSA-N 0 0 442.127 6.425 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(OC)c1 ZINC000001245632 568774750 /nfs/dbraw/zinc/77/47/50/568774750.db2.gz BPCCDNUVSRPMCL-BNCCVWRVSA-N 0 0 426.346 5.416 50 10 IKCARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C ZINC000001267945 568775408 /nfs/dbraw/zinc/77/54/08/568775408.db2.gz RKCIUEDVTUBXAU-SQBXPZIGSA-N 0 0 436.602 5.480 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000032109396 568781214 /nfs/dbraw/zinc/78/12/14/568781214.db2.gz AVKJWDCYYDPXMP-VRENQZFPSA-N 0 0 430.942 5.503 50 10 IKCARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000004132903 568781246 /nfs/dbraw/zinc/78/12/46/568781246.db2.gz QTFBGSKBYZNYHK-BMLIUANNSA-N 0 0 435.387 5.221 50 10 IKCARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000004132904 568781250 /nfs/dbraw/zinc/78/12/50/568781250.db2.gz QTFBGSKBYZNYHK-DYZYQPBXSA-N 0 0 435.387 5.221 50 10 IKCARN COc1ccc(-c2c(C)nc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2N)cc1 ZINC000001394945 568785528 /nfs/dbraw/zinc/78/55/28/568785528.db2.gz SAFKVGDUSVJUOT-UHFFFAOYSA-N 0 0 429.549 5.432 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1Cl ZINC000016730465 568792306 /nfs/dbraw/zinc/79/23/06/568792306.db2.gz MQLYITGOFZOHGQ-WQRHYEAKSA-N 0 0 441.965 5.032 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000016729827 568792333 /nfs/dbraw/zinc/79/23/33/568792333.db2.gz SISSPFMWCRUHQM-MOSHPQCFSA-N 0 0 437.565 5.598 50 10 IKCARN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(Cl)cc1Cl ZINC000001439727 568805002 /nfs/dbraw/zinc/80/50/02/568805002.db2.gz SGGRZUIMQJVHCF-UHFFFAOYSA-N 0 0 447.303 5.429 50 10 IKCARN Oc1ccccc1C1=NN(c2nc(-c3cccc(Cl)c3)cs2)[C@H](c2ccccc2)C1 ZINC000085404547 568817683 /nfs/dbraw/zinc/81/76/83/568817683.db2.gz LICXIRHFAUCPNO-QFIPXVFZSA-N 0 0 431.948 6.525 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000001462024 568819882 /nfs/dbraw/zinc/81/98/82/568819882.db2.gz FSVNRGYTDNJSHU-STZFKDTASA-N 0 0 449.601 5.548 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000001461924 568819891 /nfs/dbraw/zinc/81/98/91/568819891.db2.gz ODRSFGKEBWMYOS-TZBSWOFLSA-N 0 0 432.545 5.323 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1ccc(F)cc1 ZINC000001465500 568820272 /nfs/dbraw/zinc/82/02/72/568820272.db2.gz VCBSFVAWNHAJGY-UHFFFAOYSA-N 0 0 425.554 5.830 50 10 IKCARN CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000035111472 568820606 /nfs/dbraw/zinc/82/06/06/568820606.db2.gz IDCXHNCSAXMZOH-XMMPIXPASA-N 0 0 429.520 5.561 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)c(C)c1 ZINC000035110890 568820631 /nfs/dbraw/zinc/82/06/31/568820631.db2.gz GXQQCRJNMBUKQF-XMERXJNXSA-N 0 0 448.563 6.070 50 10 IKCARN S=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc3ccccc32)CC1 ZINC000001471409 568821757 /nfs/dbraw/zinc/82/17/57/568821757.db2.gz YFUDQDBNCOPHCK-UHFFFAOYSA-N 0 0 432.976 6.251 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000100147743 568841624 /nfs/dbraw/zinc/84/16/24/568841624.db2.gz HHDKQQHVHINKIT-BKUYFWCQSA-N 0 0 437.326 6.379 50 10 IKCARN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820813 568842404 /nfs/dbraw/zinc/84/24/04/568842404.db2.gz RTEVGFMQBZEBSQ-BKUYFWCQSA-N 0 0 436.920 5.707 50 10 IKCARN O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000006143086 568845686 /nfs/dbraw/zinc/84/56/86/568845686.db2.gz QQTSXFHKMVZRDQ-UDWIEESQSA-N 0 0 440.634 5.389 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363098 568866392 /nfs/dbraw/zinc/86/63/92/568866392.db2.gz SVOZOXLFQNSOAE-ISKFKSNPSA-N 0 0 441.358 6.320 50 10 IKCARN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362949 568866398 /nfs/dbraw/zinc/86/63/98/568866398.db2.gz UJKSUESWRWBMQY-FYYLOGMGSA-N 0 0 437.337 5.386 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053362944 568866426 /nfs/dbraw/zinc/86/64/26/568866426.db2.gz IPRWOGKLDASVPD-GGAORHGYSA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053363133 568866443 /nfs/dbraw/zinc/86/64/43/568866443.db2.gz PZCUTXVCEGUPQG-HOFKKMOUSA-N 0 0 446.547 5.421 50 10 IKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2cccc(Br)c2)N1 ZINC000053363578 568866772 /nfs/dbraw/zinc/86/67/72/568866772.db2.gz AVSFUACDDLSCDE-IRLDBZIGSA-N 0 0 441.756 6.031 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(OC)c3)N2)c1O ZINC000053363846 568866786 /nfs/dbraw/zinc/86/67/86/568866786.db2.gz YTVVJGSGJLUIPS-JYFHCDHNSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053364244 568866841 /nfs/dbraw/zinc/86/68/41/568866841.db2.gz UWPOMJDWCWXIJZ-SQHAQQRYSA-N 0 0 430.548 5.584 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363941 568866850 /nfs/dbraw/zinc/86/68/50/568866850.db2.gz IQUBAFHBMQDCMU-XUZZJYLKSA-N 0 0 441.358 6.320 50 10 IKCARN CCc1ccc(C2=N[C@H](c3cccnc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364891 568867005 /nfs/dbraw/zinc/86/70/05/568867005.db2.gz FKXBSPNSQDPGIL-GMAHTHKFSA-N 0 0 436.353 5.335 50 10 IKCARN COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364859 568867009 /nfs/dbraw/zinc/86/70/09/568867009.db2.gz OACJIYZHCYNRCN-JTHBVZDNSA-N 0 0 427.331 5.930 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364874 568867020 /nfs/dbraw/zinc/86/70/20/568867020.db2.gz JGVXUDRJFBAANG-LADGPHEKSA-N 0 0 441.358 6.320 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053364685 568867153 /nfs/dbraw/zinc/86/71/53/568867153.db2.gz QSHJXGBTSBRZKH-RBBKRZOGSA-N 0 0 441.756 6.031 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053364692 568867155 /nfs/dbraw/zinc/86/71/55/568867155.db2.gz QSHJXGBTSBRZKH-UNMCSNQZSA-N 0 0 441.756 6.031 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000000655573 568880124 /nfs/dbraw/zinc/88/01/24/568880124.db2.gz MTOGYYHZWXZMBK-VSALZBCGSA-N 0 0 442.515 5.666 50 10 IKCARN CCCC[N@H+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001770992 568906069 /nfs/dbraw/zinc/90/60/69/568906069.db2.gz DDDLJALEPPQOIV-UHFFFAOYSA-N 0 0 439.861 6.070 50 10 biogenic IKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)c1 ZINC000006444712 568907283 /nfs/dbraw/zinc/90/72/83/568907283.db2.gz YBSJBYCBSDKPCS-MSBWEVJISA-N 0 0 449.348 6.252 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000001795096 568908018 /nfs/dbraw/zinc/90/80/18/568908018.db2.gz DKVOODANIVTKOC-VVRYKASASA-N 0 0 441.618 5.972 50 10 IKCARN CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025578318 568909784 /nfs/dbraw/zinc/90/97/84/568909784.db2.gz DDFODXNBWVAKQG-UPVQGACJSA-N 0 0 438.358 6.302 50 10 IKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000001835495 568916243 /nfs/dbraw/zinc/91/62/43/568916243.db2.gz GTZCWGKXUVQDNJ-QNGOZBTKSA-N 0 0 449.601 5.085 50 10 IKCARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000001869230 568917086 /nfs/dbraw/zinc/91/70/86/568917086.db2.gz FCWHJPRBOKFDHS-NRFANRHFSA-N 0 0 435.461 5.815 50 10 IKCARN CCCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+](CC)CC)c2=O)cc1 ZINC000001873774 568917163 /nfs/dbraw/zinc/91/71/63/568917163.db2.gz QNFNYEMAXLJBMX-UHFFFAOYSA-N 0 0 439.508 5.008 50 10 biogenic IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C ZINC000001895540 568917809 /nfs/dbraw/zinc/91/78/09/568917809.db2.gz NYCMZZXCTNBDOW-MOSHPQCFSA-N 0 0 435.574 5.537 50 10 IKCARN CCOC(=O)c1c(C)oc2c1c(C[NH+]1CCN(c3ccccc3)CC1)c([O-])c1ccccc21 ZINC000054114208 568920367 /nfs/dbraw/zinc/92/03/67/568920367.db2.gz KVXIGPHKXCBPEY-UHFFFAOYSA-N 0 0 444.531 5.099 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000026967822 568928053 /nfs/dbraw/zinc/92/80/53/568928053.db2.gz QNAPXNYKNJLCJG-OLWAXZHHSA-N 0 0 440.373 5.634 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Sc1ccccc1)cc3Sc1ccccc1 ZINC000002023349 568930711 /nfs/dbraw/zinc/93/07/11/568930711.db2.gz PHCKIFWWQJVMER-UHFFFAOYSA-N 0 0 437.545 7.342 50 10 IKCARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000006599503 568935392 /nfs/dbraw/zinc/93/53/92/568935392.db2.gz USBJTOJZUXQZSI-UHFFFAOYSA-N 0 0 427.525 6.511 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000002058723 568940943 /nfs/dbraw/zinc/94/09/43/568940943.db2.gz UKGBFSGGORPWHE-BKUYFWCQSA-N 0 0 437.973 6.325 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1c1ccccc1 ZINC000002067679 568941365 /nfs/dbraw/zinc/94/13/65/568941365.db2.gz KMOMMZWTQNZZCX-PDGQHHTCSA-N 0 0 442.359 6.115 50 10 IKCARN C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1)c1ccccc1 ZINC000006732319 568968618 /nfs/dbraw/zinc/96/86/18/568968618.db2.gz VRNXTPOWSLOQDR-NALXFHLLSA-N 0 0 444.438 5.008 50 10 IKCARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)[C@@H]1C ZINC000006782034 568985258 /nfs/dbraw/zinc/98/52/58/568985258.db2.gz LYGPTKUKZCLVNO-YPCDYVTLSA-N 0 0 426.604 6.578 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccccc1C)c1ccccc1 ZINC000065080367 569101292 /nfs/dbraw/zinc/10/12/92/569101292.db2.gz TUUDRLMSRMWCDN-UHFFFAOYSA-N 0 0 439.515 5.247 50 10 IKCARN CCc1nnc(-c2nnc(NCc3ccc(N4CCC(C)CC4)cc3)c3ccccc32)o1 ZINC000065258207 569124350 /nfs/dbraw/zinc/12/43/50/569124350.db2.gz ZLIMEMXPYZTBAI-UHFFFAOYSA-N 0 0 428.540 5.091 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000013603063 569156271 /nfs/dbraw/zinc/15/62/71/569156271.db2.gz JNNSHVDRQGADAW-ODLFYWEKSA-N 0 0 437.839 5.323 50 10 IKCARN Cc1c(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000013591032 569156291 /nfs/dbraw/zinc/15/62/91/569156291.db2.gz DGGUXMVMMCUGOA-XSFVSMFZSA-N 0 0 449.601 5.014 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Cl)c1O ZINC000013914508 569157305 /nfs/dbraw/zinc/15/73/05/569157305.db2.gz KQQQWAGPPDBVJD-NVNXTCNLSA-N 0 0 435.705 5.013 50 10 IKCARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 ZINC000014165989 569157925 /nfs/dbraw/zinc/15/79/25/569157925.db2.gz KNZZMGPKEJZTCU-BVFVYWQFSA-N 0 0 448.563 6.070 50 10 IKCARN COc1c(Cl)cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Cl ZINC000017044512 569171606 /nfs/dbraw/zinc/17/16/06/569171606.db2.gz DMGWUEDJXQDDFQ-PDUPYCKDSA-N 0 0 430.316 5.306 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1 ZINC000002668105 569177385 /nfs/dbraw/zinc/17/73/85/569177385.db2.gz AGZPYVJGTLNMSC-AKGOGDBKSA-N 0 0 427.591 5.664 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000002533054 569180124 /nfs/dbraw/zinc/18/01/24/569180124.db2.gz WXVZSMQFGQBMDE-PDGQHHTCSA-N 0 0 425.966 5.414 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1C1CCCCC1 ZINC000002119421 569182828 /nfs/dbraw/zinc/18/28/28/569182828.db2.gz KSYHMYFRLRRWLY-KGENOOAVSA-N 0 0 444.021 6.453 50 10 IKCARN O=c1oc2c(ccc3c2CN(c2ccc(OCc4ccccc4)cc2)CO3)c2ccccc21 ZINC000002119635 569182852 /nfs/dbraw/zinc/18/28/52/569182852.db2.gz YFUBHGPKJGMLGV-UHFFFAOYSA-N 0 0 435.479 5.882 50 10 biogenic IKCARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(OC)c(Cl)c3)CO2)cc1 ZINC000002123725 569183663 /nfs/dbraw/zinc/18/36/63/569183663.db2.gz XSJCABAOLUOGAT-UHFFFAOYSA-N 0 0 449.890 5.487 50 10 biogenic IKCARN COc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1Cl ZINC000002123930 569183693 /nfs/dbraw/zinc/18/36/93/569183693.db2.gz RJWIWIMEBDJFLI-UHFFFAOYSA-N 0 0 433.891 5.787 50 10 biogenic IKCARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(OC)cc2)CO4)cc1 ZINC000002123112 569183778 /nfs/dbraw/zinc/18/37/78/569183778.db2.gz NOYXVKJSYFPWTQ-UHFFFAOYSA-N 0 0 429.472 5.142 50 10 biogenic IKCARN COc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1OC ZINC000002125212 569184041 /nfs/dbraw/zinc/18/40/41/569184041.db2.gz PHGSMMBLFPSXDM-UHFFFAOYSA-N 0 0 429.472 5.142 50 10 biogenic IKCARN O=C1C(Br)=CC(Cl)=CC1=NNc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000252460074 569184424 /nfs/dbraw/zinc/18/44/24/569184424.db2.gz BKFKLCBVWMAIBO-UHFFFAOYSA-N 0 0 444.738 5.008 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Cc1ccco1 ZINC000002533180 569185731 /nfs/dbraw/zinc/18/57/31/569185731.db2.gz YVTNONDSFJWRGA-STZFKDTASA-N 0 0 443.553 5.534 50 10 IKCARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC(C)(C)C)c(N)c32)cc1 ZINC000002186866 569190511 /nfs/dbraw/zinc/19/05/11/569190511.db2.gz DHMJKHHRDVYTAZ-UHFFFAOYSA-N 0 0 432.545 6.176 50 10 IKCARN Cn1c(N=Nc2c(Nc3cccc4ccccc43)ccc3ccccc32)nc2ccccc21 ZINC000252625516 569203197 /nfs/dbraw/zinc/20/31/97/569203197.db2.gz QLSMUSMMEACDFW-UHFFFAOYSA-N 0 0 427.511 8.039 50 10 IKCARN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002238003 569212212 /nfs/dbraw/zinc/21/22/12/569212212.db2.gz FFTKTSQZKIYYOU-AQTBWJFISA-N 0 0 430.982 5.269 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 ZINC000003035080 569213076 /nfs/dbraw/zinc/21/30/76/569213076.db2.gz GBUGGIVGXOSDSB-JWGURIENSA-N 0 0 433.554 6.283 50 10 IKCARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000002252211 569214130 /nfs/dbraw/zinc/21/41/30/569214130.db2.gz XJILQCKPDAZNNF-AQTBWJFISA-N 0 0 430.982 5.269 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc(OC)c1OC ZINC000002247349 569214587 /nfs/dbraw/zinc/21/45/87/569214587.db2.gz FVKMVARMMKJSGD-NDENLUEZSA-N 0 0 437.542 5.271 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000002262478 569215926 /nfs/dbraw/zinc/21/59/26/569215926.db2.gz GOKGPACYOOXYIY-HYTQYMIGSA-N 0 0 444.578 6.272 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3OCC)SC2=S)cc1 ZINC000002253496 569216596 /nfs/dbraw/zinc/21/65/96/569216596.db2.gz LNLPXBNZMSBJPH-MOSHPQCFSA-N 0 0 429.563 5.289 50 10 IKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1Br ZINC000027519465 569217857 /nfs/dbraw/zinc/21/78/57/569217857.db2.gz PPBAOGAVTSUPMQ-QGOAFFKASA-N 0 0 448.316 5.635 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccc(Br)cc2)c(C)c1 ZINC000027520828 569218303 /nfs/dbraw/zinc/21/83/03/569218303.db2.gz UPRZHXDDBZULMU-STZFKDTASA-N 0 0 449.323 6.040 50 10 IKCARN COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000027521788 569218951 /nfs/dbraw/zinc/21/89/51/569218951.db2.gz XKDSHSKXHUFBSP-MOSHPQCFSA-N 0 0 448.906 5.200 50 10 IKCARN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N=C2c2cccc(Cl)c2)c1 ZINC000027522107 569249311 /nfs/dbraw/zinc/24/93/11/569249311.db2.gz KLEDVZYIGYQFNC-XKZIYDEJSA-N 0 0 431.879 5.700 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)cc1 ZINC000026772094 569257486 /nfs/dbraw/zinc/25/74/86/569257486.db2.gz LKOHGFCXPAZGDV-RZDMPUFOSA-N 0 0 434.624 5.360 50 10 biogenic IKCARN O=C1c2cc3ccccc3cc2C(=O)[C@H]2C[C@@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@H]3C[C@@H]12 ZINC000101094110 569258696 /nfs/dbraw/zinc/25/86/96/569258696.db2.gz RSFWPFAWCIUFIO-ASDGIDEWSA-N 0 0 444.486 5.710 50 10 IKCARN CCN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S ZINC000027527892 569263501 /nfs/dbraw/zinc/26/35/01/569263501.db2.gz XLHULHCZRFMAJW-AQTBWJFISA-N 0 0 436.023 5.732 50 10 IKCARN COc1cc2c(cc1OC)CN(Cc1c3c(C(=O)c4ccsc4)coc3ccc1O)CC2 ZINC000253401219 569265006 /nfs/dbraw/zinc/26/50/06/569265006.db2.gz FKZVXOWAYHYOSN-UHFFFAOYSA-N 0 0 449.528 5.006 50 10 biogenic IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3NCCC1=CCCCC1 ZINC000002292027 569268045 /nfs/dbraw/zinc/26/80/45/569268045.db2.gz JEOUHTGBDOHUTE-UHFFFAOYSA-N 0 0 435.527 7.085 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3NCCCn1ccnc1 ZINC000002292212 569268050 /nfs/dbraw/zinc/26/80/50/569268050.db2.gz SIQHSSZFJWRNIR-UHFFFAOYSA-N 0 0 435.487 5.482 50 10 IKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239038923 569268607 /nfs/dbraw/zinc/26/86/07/569268607.db2.gz FDLIDSSHLDAKTN-PDLBJYQGSA-N 0 0 431.963 6.411 50 10 IKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000248018060 569270200 /nfs/dbraw/zinc/27/02/00/569270200.db2.gz DMXOQHWJPHAHJT-NOZRDPDXSA-N 0 0 433.939 5.657 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000247917010 569270219 /nfs/dbraw/zinc/27/02/19/569270219.db2.gz GCMLMVCXNLXJOT-VSALZBCGSA-N 0 0 427.504 5.448 50 10 IKCARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1C ZINC000002303502 569271522 /nfs/dbraw/zinc/27/15/22/569271522.db2.gz UXYYNRPYNOVFCB-PDGQHHTCSA-N 0 0 430.982 5.187 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000027549501 569271793 /nfs/dbraw/zinc/27/17/93/569271793.db2.gz KBMKPIOAPNWNMI-HUHIGAQKSA-N 0 0 444.969 5.749 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=N)S1 ZINC000027549225 569271842 /nfs/dbraw/zinc/27/18/42/569271842.db2.gz JUAVGLLSXOJATF-QNPCYTEQSA-N 0 0 441.560 5.499 50 10 IKCARN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)cc1 ZINC000027548710 569271849 /nfs/dbraw/zinc/27/18/49/569271849.db2.gz VRDIRVQEWZZLEI-DEDYPNTBSA-N 0 0 434.879 5.501 50 10 IKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=N)S1 ZINC000027549490 569271867 /nfs/dbraw/zinc/27/18/67/569271867.db2.gz MKPSIBLUYLUWHZ-OSZNWEDFSA-N 0 0 436.512 5.070 50 10 IKCARN CCOc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc54)CC3)=NC2=O)cc1 ZINC000002319324 569273571 /nfs/dbraw/zinc/27/35/71/569273571.db2.gz FULHIMNNQRTLPO-HKOYGPOVSA-N 0 0 443.572 5.031 50 10 IKCARN Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] ZINC000257370773 569281067 /nfs/dbraw/zinc/28/10/67/569281067.db2.gz NAULBUWJGXCSOS-TYBLODHISA-N 0 0 443.478 6.121 50 10 IKCARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 ZINC000253496033 569283158 /nfs/dbraw/zinc/28/31/58/569283158.db2.gz ZJJXQLCFUKZGPK-AUFPJITRSA-N 0 0 436.555 6.324 50 10 IKCARN COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1ccncc1 ZINC000299764288 569283535 /nfs/dbraw/zinc/28/35/35/569283535.db2.gz SWWCKARQVKMZHC-QFIPXVFZSA-N 0 0 440.952 5.716 50 10 IKCARN COCc1ccc(CN2CC[C@@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)o1 ZINC000299777789 569283695 /nfs/dbraw/zinc/28/36/95/569283695.db2.gz OFZLALDLZRQNLV-QFIPXVFZSA-N 0 0 431.504 5.957 50 10 IKCARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1C ZINC000002364406 569287881 /nfs/dbraw/zinc/28/78/81/569287881.db2.gz FOBLOSWRZFZCME-UYRXBGFRSA-N 0 0 445.009 5.577 50 10 IKCARN COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000002381788 569292741 /nfs/dbraw/zinc/29/27/41/569292741.db2.gz YVXBAFGQTUNKGP-JXAWBTAJSA-N 0 0 446.619 5.157 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2CCC(C)CC2)c1[O-] ZINC000009007803 569293012 /nfs/dbraw/zinc/29/30/12/569293012.db2.gz RWDGAMWASPIMGS-UHFFFAOYSA-N 0 0 434.561 5.570 50 10 IKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000002385104 569294209 /nfs/dbraw/zinc/29/42/09/569294209.db2.gz ZEUOVVBERAYTPR-QNGOZBTKSA-N 0 0 449.601 5.549 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000009233516 569294718 /nfs/dbraw/zinc/29/47/18/569294718.db2.gz GPGRJNRGDXNHRD-OAHLLOKOSA-N 0 0 434.561 5.570 50 10 IKCARN COCCCNc1cc(Nc2ccc(OC)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000002393265 569297987 /nfs/dbraw/zinc/29/79/87/569297987.db2.gz OJADQYZQYMXXNW-UHFFFAOYSA-N 0 0 429.476 5.240 50 10 IKCARN Cn1cc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)c2ccccc21 ZINC000002428338 569302787 /nfs/dbraw/zinc/30/27/87/569302787.db2.gz KQRMPFWVHNRTNO-YVLHZVERSA-N 0 0 429.364 5.347 50 10 IKCARN COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)coc2c1 ZINC000013017047 569307139 /nfs/dbraw/zinc/30/71/39/569307139.db2.gz ZYMXVQYEJITILZ-UHFFFAOYSA-N 0 0 431.488 5.126 50 10 IKCARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C ZINC000013141975 569311733 /nfs/dbraw/zinc/31/17/33/569311733.db2.gz PEQXGKYQMNHFFN-UHFFFAOYSA-N 0 0 444.506 5.692 50 10 IKCARN CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000013145363 569311797 /nfs/dbraw/zinc/31/17/97/569311797.db2.gz CERRCBHZMNSBHO-UHFFFAOYSA-N 0 0 449.503 5.041 50 10 IKCARN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2C(F)(F)F)c1 ZINC000019793117 569329374 /nfs/dbraw/zinc/32/93/74/569329374.db2.gz JDFYKGCSEXPONX-UHFFFAOYSA-N 0 0 433.426 5.522 50 10 IKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21 ZINC000019793059 569329390 /nfs/dbraw/zinc/32/93/90/569329390.db2.gz VSFSNTFEPJLNGO-UHFFFAOYSA-N 0 0 449.469 6.240 50 10 IKCARN O=C(Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1)c1ccc(-n2cccc2)cc1 ZINC000019855302 569330497 /nfs/dbraw/zinc/33/04/97/569330497.db2.gz HSPYBDPFAFQGNE-UHFFFAOYSA-N 0 0 433.515 5.100 50 10 IKCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cc(Br)cs1 ZINC000020070684 569333366 /nfs/dbraw/zinc/33/33/66/569333366.db2.gz DGJYLXISDVTZMJ-OXQOHEQNSA-N 0 0 427.323 5.459 50 10 IKCARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)c1OC ZINC000020070793 569333385 /nfs/dbraw/zinc/33/33/85/569333385.db2.gz WKAVKZMULJNSGK-CYFREDJKSA-N 0 0 436.895 5.305 50 10 IKCARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1OC ZINC000020070785 569333455 /nfs/dbraw/zinc/33/34/55/569333455.db2.gz JFOCPAHVCOGNAJ-YADARESESA-N 0 0 436.895 5.305 50 10 IKCARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020071045 569333555 /nfs/dbraw/zinc/33/35/55/569333555.db2.gz WYLSVGATGUUWJC-IBVKSMDESA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1OC ZINC000020071285 569333700 /nfs/dbraw/zinc/33/37/00/569333700.db2.gz UZSFQVXPKOLXMM-HFZDXXHNSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000020074460 569333852 /nfs/dbraw/zinc/33/38/52/569333852.db2.gz DFIGWQZGLUSXIK-MHWRWJLKSA-N 0 0 439.389 5.663 50 10 IKCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=N)N12 ZINC000020114748 569334747 /nfs/dbraw/zinc/33/47/47/569334747.db2.gz IQOMCQODVNKYRX-OSIMKLFKSA-N 0 0 428.514 5.052 50 10 IKCARN CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccccc3)C2=N)S1)c1ccccc1 ZINC000020211002 569356170 /nfs/dbraw/zinc/35/61/70/569356170.db2.gz BVQFDONBDSVKPM-KRIOFRMKSA-N 0 0 439.544 5.290 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000020324901 569360412 /nfs/dbraw/zinc/36/04/12/569360412.db2.gz UBHNFVBERSSDSX-PDGQHHTCSA-N 0 0 444.002 6.631 50 10 IKCARN O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000095472700 569372143 /nfs/dbraw/zinc/37/21/43/569372143.db2.gz WTOMVYCDZWTKMV-UHFFFAOYSA-N 0 0 431.448 5.325 50 10 IKCARN O=C(OCc1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000096234405 569387879 /nfs/dbraw/zinc/38/78/79/569387879.db2.gz SHZPOBPNFYKBBT-RCCKNPSSSA-N 0 0 431.538 5.449 50 10 IKCARN O=C(Nc1cccc(C=C2SC(NC3CCCC3)=NC2=O)c1)c1ccc(Cl)cc1 ZINC000096401244 569400545 /nfs/dbraw/zinc/40/05/45/569400545.db2.gz JKWUFKZPDLVNTB-CPNJWEJPSA-N 0 0 425.941 5.095 50 10 IKCARN CCN(CC)c1ccc([C@@H](Nc2ccccn2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000096562247 569401021 /nfs/dbraw/zinc/40/10/21/569401021.db2.gz OXZWBTSACVCKRL-DEOSSOPVSA-N 0 0 447.560 6.577 50 10 IKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000096568955 569401487 /nfs/dbraw/zinc/40/14/87/569401487.db2.gz WIILPPOWPZFMCS-LPYMAVHISA-N 0 0 434.536 6.087 50 10 IKCARN O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)[C@@]1(Br)c1ccccc1 ZINC000096592556 569401939 /nfs/dbraw/zinc/40/19/39/569401939.db2.gz CVNXDEAERHKRMP-RUZDIDTESA-N 0 0 427.297 6.176 50 10 IKCARN COc1ccc2c(c1O)CN1CCc3cc(OCc4ccccc4)c(OC)cc3[C@H]1CC2 ZINC000096593976 569402057 /nfs/dbraw/zinc/40/20/57/569402057.db2.gz CBLFDKMWJCZGIZ-HSZRJFAPSA-N 0 0 431.532 5.034 50 10 IKCARN CC(C)c1ccc(-n2c(-c3cccc(Br)c3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000002512755 569407152 /nfs/dbraw/zinc/40/71/52/569407152.db2.gz BNCFKZOFEAORRK-UHFFFAOYSA-N 0 0 436.393 7.185 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C(C)C)[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000002644471 569413991 /nfs/dbraw/zinc/41/39/91/569413991.db2.gz AXHMCQYZQJCGIJ-UHFFFAOYSA-N 0 0 433.375 5.073 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1Br ZINC000002815567 569423037 /nfs/dbraw/zinc/42/30/37/569423037.db2.gz QCEYESVIYABBCX-AQTBWJFISA-N 0 0 448.407 5.292 50 10 IKCARN Cc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000002811626 569423060 /nfs/dbraw/zinc/42/30/60/569423060.db2.gz KCXCRERKMODCOY-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 ZINC000002825025 569423108 /nfs/dbraw/zinc/42/31/08/569423108.db2.gz WYTSMQXWILZQLB-UNOMPAQXSA-N 0 0 427.934 6.014 50 10 IKCARN O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1cccc2ccccc21 ZINC000002840927 569423353 /nfs/dbraw/zinc/42/33/53/569423353.db2.gz WCPGYXNIBIXOHB-UHFFFAOYSA-N 0 0 441.508 5.872 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC3CCC(C)CC3)c2)c1C ZINC000002929025 569425988 /nfs/dbraw/zinc/42/59/88/569425988.db2.gz NARRPYZIZLVCMZ-UHFFFAOYSA-N 0 0 444.575 5.938 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)c1C ZINC000002929041 569426006 /nfs/dbraw/zinc/42/60/06/569426006.db2.gz YNOXTFAKSOHUEF-UQBPGWFLSA-N 0 0 444.575 5.938 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000226911667 569430137 /nfs/dbraw/zinc/43/01/37/569430137.db2.gz ODRSFGKEBWMYOS-OTNCWRBYSA-N 0 0 432.545 5.323 50 10 IKCARN CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000057305015 569430578 /nfs/dbraw/zinc/43/05/78/569430578.db2.gz TWKNAOBWHJRTBP-DEOSSOPVSA-N 0 0 446.620 5.007 50 10 IKCARN CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(Cl)c(C)c2)SC1=S ZINC000002977245 569433614 /nfs/dbraw/zinc/43/36/14/569433614.db2.gz JLLUPBJSXHWDLQ-UYRXBGFRSA-N 0 0 433.982 5.327 50 10 IKCARN CCOc1ccccc1CNc1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 ZINC000002993737 569435031 /nfs/dbraw/zinc/43/50/31/569435031.db2.gz CRLMZEUMPPCPLL-UHFFFAOYSA-N 0 0 436.577 5.899 50 10 IKCARN CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000003082379 569439902 /nfs/dbraw/zinc/43/99/02/569439902.db2.gz LEVVNWZGUBGJDS-LJQANCHMSA-N 0 0 441.306 5.892 50 10 IKCARN Cc1cc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003197577 569441532 /nfs/dbraw/zinc/44/15/32/569441532.db2.gz XJWNJMCBRDCSEE-UHFFFAOYSA-N 0 0 440.478 5.931 50 10 IKCARN Cc1cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c(C)n1-c1ccc(C)cc1 ZINC000003267069 569443432 /nfs/dbraw/zinc/44/34/32/569443432.db2.gz OPVHKSMBADCXMZ-UHFFFAOYSA-N 0 0 447.629 6.179 50 10 IKCARN Cc1cc(C(=O)COC(=O)CCc2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003283218 569443959 /nfs/dbraw/zinc/44/39/59/569443959.db2.gz MJGBIQCFUFQARW-UHFFFAOYSA-N 0 0 427.447 5.054 50 10 IKCARN O=c1cc(-c2ccccc2)c2ccc(OCCOc3ccc(Br)cc3)cc2o1 ZINC000003286033 569444089 /nfs/dbraw/zinc/44/40/89/569444089.db2.gz GYCRQSXUJLXLDG-UHFFFAOYSA-N 0 0 437.289 5.680 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003292231 569444478 /nfs/dbraw/zinc/44/44/78/569444478.db2.gz XWBOAPOFKHGNIJ-UHFFFAOYSA-N 0 0 433.838 5.389 50 10 IKCARN Cc1cc(C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(F)cc1 ZINC000003331773 569446460 /nfs/dbraw/zinc/44/64/60/569446460.db2.gz CIAYHYAZRJXCBW-UHFFFAOYSA-N 0 0 434.252 5.090 50 10 IKCARN Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003364930 569448118 /nfs/dbraw/zinc/44/81/18/569448118.db2.gz WZIQTNJUMYJPCM-UHFFFAOYSA-N 0 0 435.480 5.338 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccccc1F ZINC000003398057 569449472 /nfs/dbraw/zinc/44/94/72/569449472.db2.gz MZHRAPXZQPWYLC-CQSZACIVSA-N 0 0 425.525 5.459 50 10 IKCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)C4CCCCC4)n3)c2C)cc1 ZINC000003419448 569450329 /nfs/dbraw/zinc/45/03/29/569450329.db2.gz JUKKETDQHQLSIC-UHFFFAOYSA-N 0 0 437.565 5.523 50 10 IKCARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003450366 569451634 /nfs/dbraw/zinc/45/16/34/569451634.db2.gz LTBGGBLTMLLZAE-UHFFFAOYSA-N 0 0 425.410 5.318 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@@H]3CCCC[C@H]3C)ccc21 ZINC000003585078 569454446 /nfs/dbraw/zinc/45/44/46/569454446.db2.gz NAPNZTLRZRUBMT-ATIYNZHBSA-N 0 0 449.708 6.935 50 10 IKCARN CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H](C)CC)ccc21 ZINC000003585193 569454455 /nfs/dbraw/zinc/45/44/55/569454455.db2.gz MFXSQIPIPHECJR-QGZVFWFLSA-N 0 0 448.438 6.989 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@@H](C)CC)ccc21 ZINC000003585543 569454475 /nfs/dbraw/zinc/45/44/75/569454475.db2.gz PYENQYIXDRDQFS-QFIPXVFZSA-N 0 0 437.697 6.854 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCCC1 ZINC000003741823 569456301 /nfs/dbraw/zinc/45/63/01/569456301.db2.gz YDYGAPXYTKDINU-UHFFFAOYSA-N 0 0 425.444 5.112 50 10 IKCARN CCCN1c2ccc(C)cc2/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O ZINC000031829168 569458131 /nfs/dbraw/zinc/45/81/31/569458131.db2.gz FRNVZXPXSJRXGE-HAVVHWLPSA-N 0 0 435.527 5.050 50 10 IKCARN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000004106992 569459034 /nfs/dbraw/zinc/45/90/34/569459034.db2.gz DPRJKVIDTCXOQW-UCQKPKSFSA-N 0 0 434.536 6.032 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000004107008 569459066 /nfs/dbraw/zinc/45/90/66/569459066.db2.gz OATNGXHGLJJNJV-JLPGSUDCSA-N 0 0 444.600 6.628 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/C=C(c4ccc(Cl)cc4)OC3=O)o2)c(Br)c1 ZINC000004211743 569461058 /nfs/dbraw/zinc/46/10/58/569461058.db2.gz IBPCCMCKXGYHFM-PTNGSMBKSA-N 0 0 441.708 6.652 50 10 IKCARN O=C1c2ccccc2C(=O)c2c(Oc3ccccc3)c(F)c(F)c(Oc3ccccc3)c21 ZINC000008386235 569462654 /nfs/dbraw/zinc/46/26/54/569462654.db2.gz FUPOODKGWZOVEJ-UHFFFAOYSA-N 0 0 428.390 6.325 50 10 IKCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2OCc2ccccc2)ccc2cccnc21 ZINC000008432521 569464294 /nfs/dbraw/zinc/46/42/94/569464294.db2.gz RQWRNOPXFUSWKH-MHZLTWQESA-N 0 0 433.511 6.116 50 10 IKCARN CSc1nc(-c2ccc(N(C)C)cc2)c2c(n1)/C(=C/c1ccc(N(C)C)cc1)CCC2 ZINC000067191206 569464326 /nfs/dbraw/zinc/46/43/26/569464326.db2.gz KMODLYVAEAFBFZ-LVZFUZTISA-N 0 0 430.621 5.874 50 10 IKCARN O=c1c2cc(N=Nc3ccccc3)ccc2[nH]cc1-c1ncc(C(F)(F)F)cc1Cl ZINC000008782073 569475793 /nfs/dbraw/zinc/47/57/93/569475793.db2.gz SQUZEUCHZGNVTJ-ZQHSETAFSA-N 0 0 428.801 6.678 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccco1 ZINC000008821318 569477111 /nfs/dbraw/zinc/47/71/11/569477111.db2.gz GKUIAGBYIZQRLJ-NDENLUEZSA-N 0 0 441.961 5.913 50 10 IKCARN Cc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C ZINC000008826642 569477578 /nfs/dbraw/zinc/47/75/78/569477578.db2.gz RMDUQQKTACWYSS-UHFFFAOYSA-N 0 0 427.507 6.959 50 10 IKCARN CCOc1ccc(/N=N/c2nc3cc(Br)c(Br)cc3n2C)cc1 ZINC000008836543 569478089 /nfs/dbraw/zinc/47/80/89/569478089.db2.gz VZIFZUYMDDVBPJ-QZQOTICOSA-N 0 0 438.123 5.912 50 10 IKCARN Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)c(Br)c1 ZINC000008842970 569478394 /nfs/dbraw/zinc/47/83/94/569478394.db2.gz YJMBBXZPIRVALY-UHFFFAOYSA-N 0 0 431.282 5.161 50 10 IKCARN Cc1ccc(Nc2cc3c(nnn3-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000008856555 569479763 /nfs/dbraw/zinc/47/97/63/569479763.db2.gz ASQSDTVXUSDDHR-UHFFFAOYSA-N 0 0 430.467 5.248 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000008867837 569480309 /nfs/dbraw/zinc/48/03/09/569480309.db2.gz BWIVCKDLCREYJZ-AZAZKDLZSA-N 0 0 444.969 5.894 50 10 IKCARN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000008872098 569480888 /nfs/dbraw/zinc/48/08/88/569480888.db2.gz WQVSHHWOOBEAON-RIYZIHGNSA-N 0 0 433.398 6.130 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000008872525 569480936 /nfs/dbraw/zinc/48/09/36/569480936.db2.gz IWXSKZJRKQALGP-UCQKPKSFSA-N 0 0 444.531 5.177 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008872542 569480946 /nfs/dbraw/zinc/48/09/46/569480946.db2.gz RZMQMXVDUGDQLT-GNUZOCDUSA-N 0 0 425.962 6.562 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=N)S1 ZINC000008916224 569485724 /nfs/dbraw/zinc/48/57/24/569485724.db2.gz XGMUHYMQHYMDPI-YMINWEEVSA-N 0 0 438.940 5.194 50 10 IKCARN COc1ccc2c3ccc(OCC(=O)c4c(C)n(C)c5ccccc54)cc3oc(=O)c2c1 ZINC000008964897 569491240 /nfs/dbraw/zinc/49/12/40/569491240.db2.gz LJDAFEHKTMYBLT-UHFFFAOYSA-N 0 0 427.456 5.017 50 10 biogenic IKCARN CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009009933 569496432 /nfs/dbraw/zinc/49/64/32/569496432.db2.gz HXHIWHPHFWOLRQ-UODIDJSMSA-N 0 0 433.507 5.017 50 10 IKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 ZINC000009065641 569499711 /nfs/dbraw/zinc/49/97/11/569499711.db2.gz OUXWWJPJUCJNGG-XKZIYDEJSA-N 0 0 447.629 6.013 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009076608 569500330 /nfs/dbraw/zinc/50/03/30/569500330.db2.gz DDCRWQPCZQRMBM-FHAGJXEFSA-N 0 0 443.474 5.658 50 10 IKCARN CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(C)c3C)c2)SC1=S ZINC000009113028 569502515 /nfs/dbraw/zinc/50/25/15/569502515.db2.gz JCVNZHMRPWVRSF-QNGOZBTKSA-N 0 0 427.591 5.372 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1 ZINC000009158813 569508512 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Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000009232316 569513774 /nfs/dbraw/zinc/51/37/74/569513774.db2.gz ATZQAEWRBLQWRS-YBFXNURJSA-N 0 0 432.973 5.794 50 10 IKCARN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000009232741 569513795 /nfs/dbraw/zinc/51/37/95/569513795.db2.gz XKJUJVKNBSALFI-BUVRLJJBSA-N 0 0 445.609 6.597 50 10 IKCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000009232291 569513802 /nfs/dbraw/zinc/51/38/02/569513802.db2.gz YLKZYXQSDSOKRT-LICLKQGHSA-N 0 0 434.380 5.480 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000009232613 569513811 /nfs/dbraw/zinc/51/38/11/569513811.db2.gz IVEOLFDTVCLXQH-VIZOYTHASA-N 0 0 442.345 5.122 50 10 IKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000009233980 569513896 /nfs/dbraw/zinc/51/38/96/569513896.db2.gz NBXBQJVEQUIJJQ-YZXVBUGESA-N 0 0 449.384 5.486 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009274101 569518167 /nfs/dbraw/zinc/51/81/67/569518167.db2.gz RMDHLJWOYVQVBS-KKVJOTPGSA-N 0 0 439.972 5.413 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000009281244 569518576 /nfs/dbraw/zinc/51/85/76/569518576.db2.gz IGISWWKTORIPLQ-FNSVQNJISA-N 0 0 439.972 5.475 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=N)S1 ZINC000009281976 569518670 /nfs/dbraw/zinc/51/86/70/569518670.db2.gz RROCPOUBLMUYBL-GNMKNICSSA-N 0 0 433.581 5.520 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=N)S1 ZINC000009282734 569518755 /nfs/dbraw/zinc/51/87/55/569518755.db2.gz QRGHLOGNCJIGRQ-KKVJOTPGSA-N 0 0 439.972 5.557 50 10 IKCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1 ZINC000009291196 569519785 /nfs/dbraw/zinc/51/97/85/569519785.db2.gz JIHWYTCILMKGIV-NFBUKIRSSA-N 0 0 437.544 5.289 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000009291203 569519838 /nfs/dbraw/zinc/51/98/38/569519838.db2.gz DRGUQLWFWZVQJP-OMYHDSEFSA-N 0 0 447.608 5.910 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=N)S1 ZINC000009293300 569520150 /nfs/dbraw/zinc/52/01/50/569520150.db2.gz LXRUUBVMKDKWSU-GNMKNICSSA-N 0 0 433.581 5.520 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000009293423 569520221 /nfs/dbraw/zinc/52/02/21/569520221.db2.gz GWHRWETWGPTHDA-QCIUGURRSA-N 0 0 433.581 5.376 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000009293409 569520222 /nfs/dbraw/zinc/52/02/22/569520222.db2.gz WVOWNKLZEKWZQA-WTCJYIDHSA-N 0 0 449.555 5.433 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C2=N)S1 ZINC000009293438 569520239 /nfs/dbraw/zinc/52/02/39/569520239.db2.gz ZXIOPPYSRVEBQG-PGCFBHMESA-N 0 0 449.580 5.302 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C2=N)S1 ZINC000009293316 569520263 /nfs/dbraw/zinc/52/02/63/569520263.db2.gz UIFICJWPTFMSSX-PUYZJMEQSA-N 0 0 439.972 5.475 50 10 IKCARN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 ZINC000009295733 569520359 /nfs/dbraw/zinc/52/03/59/569520359.db2.gz FWDBQSSDNWFRQD-XKZIYDEJSA-N 0 0 436.508 5.478 50 10 IKCARN O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1 ZINC000009296546 569520448 /nfs/dbraw/zinc/52/04/48/569520448.db2.gz UEQGDRDPLSEERV-KGENOOAVSA-N 0 0 437.973 6.325 50 10 IKCARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000009303301 569521013 /nfs/dbraw/zinc/52/10/13/569521013.db2.gz MMJRBYXDWXZYOK-HANTZDOSSA-N 0 0 432.907 5.445 50 10 IKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=N)N2N=C(CCC3CCCCC3)SC2=NC1=O ZINC000009307727 569521426 /nfs/dbraw/zinc/52/14/26/569521426.db2.gz KIPOULNUPYUPGH-HRXHUYTNSA-N 0 0 433.581 5.764 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000009307801 569521429 /nfs/dbraw/zinc/52/14/29/569521429.db2.gz SCDAIMJWFJPVAK-FKSIKXIZSA-N 0 0 447.608 5.883 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000009309754 569521619 /nfs/dbraw/zinc/52/16/19/569521619.db2.gz RLKPUCVOCHMTNL-ODXNEQJUSA-N 0 0 437.594 5.041 50 10 IKCARN CCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000009333945 569523157 /nfs/dbraw/zinc/52/31/57/569523157.db2.gz UOPGTZWBVZVMHJ-CPNJWEJPSA-N 0 0 437.542 5.572 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1 ZINC000009345068 569524073 /nfs/dbraw/zinc/52/40/73/569524073.db2.gz UGQRLLOWSKZYKB-ONWPUYBOSA-N 0 0 433.581 5.353 50 10 IKCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000009361420 569525884 /nfs/dbraw/zinc/52/58/84/569525884.db2.gz MMJRBYXDWXZYOK-WYIJSASQSA-N 0 0 432.907 5.445 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)n1-c1ccccn1 ZINC000009367930 569526568 /nfs/dbraw/zinc/52/65/68/569526568.db2.gz REHZXQCNAWIHIX-UHFFFAOYSA-N 0 0 447.539 5.197 50 10 IKCARN C[C@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)c1ccccc1 ZINC000009406130 569529951 /nfs/dbraw/zinc/52/99/51/569529951.db2.gz 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50 10 IKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3cccc(F)c3)cc2)C1 ZINC000009406222 569530032 /nfs/dbraw/zinc/53/00/32/569530032.db2.gz DJXSOZIPRPCGPF-HXUWFJFHSA-N 0 0 438.546 6.338 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000009541627 569545880 /nfs/dbraw/zinc/54/58/80/569545880.db2.gz YJQWNAWIZLAILH-ISKFKSNPSA-N 0 0 435.365 5.940 50 10 IKCARN CCc1ccc(C2=N[C@@](C)(CC(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000009542108 569545882 /nfs/dbraw/zinc/54/58/82/569545882.db2.gz ZSAPBFNUIQHESP-FYYLOGMGSA-N 0 0 429.402 6.003 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000009542852 569545892 /nfs/dbraw/zinc/54/58/92/569545892.db2.gz PGMFATWYWNNVNE-JTHBVZDNSA-N 0 0 439.328 5.825 50 10 IKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000009572292 569547718 /nfs/dbraw/zinc/54/77/18/569547718.db2.gz IASGNOPSTKAPNG-UHFFFAOYSA-N 0 0 426.756 5.778 50 10 IKCARN Cc1c(Cl)cccc1-n1c(-c2ccc(Br)cc2)cc2c1CC(C)(C)CC2=O ZINC000009610924 569552711 /nfs/dbraw/zinc/55/27/11/569552711.db2.gz AWEHZPXGBFCCIF-UHFFFAOYSA-N 0 0 442.784 7.024 50 10 IKCARN COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000009634841 569554512 /nfs/dbraw/zinc/55/45/12/569554512.db2.gz GNBMPPCPWDXBRC-QNGOZBTKSA-N 0 0 446.553 5.353 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)C2=N)S1 ZINC000009635925 569554672 /nfs/dbraw/zinc/55/46/72/569554672.db2.gz FEPKCFWTAWEWHC-GNMKNICSSA-N 0 0 427.533 5.277 50 10 IKCARN O=C(NC1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O ZINC000009660240 569556772 /nfs/dbraw/zinc/55/67/72/569556772.db2.gz ICQICKUAMZBPHQ-FQEVSTJZSA-N 0 0 442.357 5.348 50 10 IKCARN CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=N)N12 ZINC000009704315 569561453 /nfs/dbraw/zinc/56/14/53/569561453.db2.gz WMXQALALMRAVAY-WHJFZTRWSA-N 0 0 444.343 5.739 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000009794452 569568402 /nfs/dbraw/zinc/56/84/02/569568402.db2.gz RMKFCFBMVXLCKL-UHFFFAOYSA-N 0 0 430.533 5.003 50 10 IKCARN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000009805556 569568744 /nfs/dbraw/zinc/56/87/44/569568744.db2.gz KLGBQIWYOLFZAT-MOSHPQCFSA-N 0 0 441.961 6.405 50 10 IKCARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000009982463 569576579 /nfs/dbraw/zinc/57/65/79/569576579.db2.gz IGCYPJLSDMAWSD-UHFFFAOYSA-N 0 0 443.842 5.127 50 10 IKCARN CC(=O)N(c1nc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1)c1ccccc1 ZINC000010191572 569578898 /nfs/dbraw/zinc/57/88/98/569578898.db2.gz UFFOUYONSBJPAH-UHFFFAOYSA-N 0 0 445.544 5.592 50 10 IKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1 ZINC000010215251 569579256 /nfs/dbraw/zinc/57/92/56/569579256.db2.gz GORQYQJYNCVMMB-FXAWDEMLSA-N 0 0 427.323 5.459 50 10 IKCARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1cccc(F)c1 ZINC000000628174 193862453 /nfs/dbraw/zinc/86/24/53/193862453.db2.gz GXTNQZAEWGHAOO-UHFFFAOYSA-N 0 0 444.535 5.713 50 10 IKCARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000000653813 193873797 /nfs/dbraw/zinc/87/37/97/193873797.db2.gz UTOGTYXOAIPUSN-ULJHMMPZSA-N 0 0 439.511 5.138 50 10 IKCARN CC(C)OC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000006142163 193881668 /nfs/dbraw/zinc/88/16/68/193881668.db2.gz KFNFMOHOFSMLAQ-VBKFSLOCSA-N 0 0 443.537 5.001 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363174 193927498 /nfs/dbraw/zinc/92/74/98/193927498.db2.gz CZIFWBIIIVBSSN-JYFHCDHNSA-N 0 0 434.967 6.229 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3C)N2)c1O ZINC000053363976 193927921 /nfs/dbraw/zinc/92/79/21/193927921.db2.gz XPTZKBJWHWMSEK-BVAGGSTKSA-N 0 0 434.967 6.284 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363539 193927995 /nfs/dbraw/zinc/92/79/95/193927995.db2.gz LMENDBNAIUZLFE-ZCYQVOJMSA-N 0 0 448.950 5.617 50 10 IKCARN COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)nc12 ZINC000054360933 193931097 /nfs/dbraw/zinc/93/10/97/193931097.db2.gz DXAQEKUPXSVYGD-MFOYZWKCSA-N 0 0 428.922 5.008 50 10 IKCARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000000648246 132228477 /nfs/dbraw/zinc/22/84/77/132228477.db2.gz HBZSLHPDDXGNRA-UHFFFAOYSA-N 0 0 428.576 5.526 50 10 IKCARN Cc1cccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000002228332 132249430 /nfs/dbraw/zinc/24/94/30/132249430.db2.gz VUXYITIJBMWLIU-IRXDYDNUSA-N 0 0 439.515 5.705 50 10 IKCARN Cc1cccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000002228331 132249435 /nfs/dbraw/zinc/24/94/35/132249435.db2.gz VUXYITIJBMWLIU-IAGOWNOFSA-N 0 0 439.515 5.705 50 10 IKCARN CCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cccc(Cl)c3)ccc21 ZINC000003057300 132261296 /nfs/dbraw/zinc/26/12/96/132261296.db2.gz ISJKCUWCFHJCOE-UHFFFAOYSA-N 0 0 432.033 5.348 50 10 IKCARN CCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3)C3CCCC3)ccc21 ZINC000003057276 132261316 /nfs/dbraw/zinc/26/13/16/132261316.db2.gz RGQNNGYAKJZBKU-UHFFFAOYSA-N 0 0 428.045 6.254 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)[C@H](C)CC)ccc21 ZINC000003585580 132266190 /nfs/dbraw/zinc/26/61/90/132266190.db2.gz UIZGKCQXJSDGGC-HXUWFJFHSA-N 0 0 439.669 6.245 50 10 IKCARN CCc1ccccc1NC(=S)N(CCCOC)Cc1ccc2c(c1)CCCN2CC ZINC000003586085 132266366 /nfs/dbraw/zinc/26/63/66/132266366.db2.gz DLZDMPJDYRFEKO-UHFFFAOYSA-N 0 0 425.642 5.257 50 10 IKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3CC)C3CCCC3)ccc21 ZINC000003586120 132266370 /nfs/dbraw/zinc/26/63/70/132266370.db2.gz QJTABBDCUYUCFS-UHFFFAOYSA-N 0 0 449.708 6.943 50 10 IKCARN CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC ZINC000003649565 132267182 /nfs/dbraw/zinc/26/71/82/132267182.db2.gz LVCFPAXFNANHRH-UKTHLTGXSA-N 0 0 445.563 5.593 50 10 IKCARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccccc3OC(C)C)cc12 ZINC000003649579 132267187 /nfs/dbraw/zinc/26/71/87/132267187.db2.gz RSCBMCLZICEJOS-SDNWHVSQSA-N 0 0 429.564 5.973 50 10 aggregator IKCARN COc1cccc(Nc2cc(N3CCCC[C@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003665783 132267314 /nfs/dbraw/zinc/26/73/14/132267314.db2.gz APHBENXXUKDELZ-MRXNPFEDSA-N 0 0 439.515 6.170 50 10 IKCARN C[C@H]1CCCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741782 132267867 /nfs/dbraw/zinc/26/78/67/132267867.db2.gz BGWGYKFRYZYLKX-HNNXBMFYSA-N 0 0 427.479 6.158 50 10 IKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCCCC1 ZINC000003741990 132267892 /nfs/dbraw/zinc/26/78/92/132267892.db2.gz HYDXJMNIEZLJIS-UHFFFAOYSA-N 0 0 439.471 5.502 50 10 IKCARN CN(C)c1ccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741993 132267899 /nfs/dbraw/zinc/26/78/99/132267899.db2.gz DENUBJLNWCCATC-UHFFFAOYSA-N 0 0 438.531 5.839 50 10 IKCARN CC(=O)Nc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008456406 132282402 /nfs/dbraw/zinc/28/24/02/132282402.db2.gz GCMLMVCXNLXJOT-AIQNWGLSSA-N 0 0 427.504 5.448 50 10 IKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000008935288 132298444 /nfs/dbraw/zinc/29/84/44/132298444.db2.gz VUGPWWVPSRHYQI-MSBWEVJISA-N 0 0 449.348 6.252 50 10 IKCARN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000009190109 132307920 /nfs/dbraw/zinc/30/79/20/132307920.db2.gz STFBRXGKQZCIHI-MOHJPFBDSA-N 0 0 443.547 5.285 50 10 IKCARN CCc1ccc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 ZINC000009293660 132312893 /nfs/dbraw/zinc/31/28/93/132312893.db2.gz WSXMYTJMOSVKFV-STZFKDTASA-N 0 0 425.985 5.003 50 10 IKCARN CC1CCN(c2cc(N3CCc4ccccc43)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612348 132323554 /nfs/dbraw/zinc/32/35/54/132323554.db2.gz XTKDGBQSAREUAI-UHFFFAOYSA-N 0 0 435.527 5.970 50 10 IKCARN Cc1ccc(C)c(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612321 132323563 /nfs/dbraw/zinc/32/35/63/132323563.db2.gz DBMDXCVNPSZIIK-UHFFFAOYSA-N 0 0 437.543 6.636 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1C ZINC000033591359 518186327 /nfs/dbraw/zinc/18/63/27/518186327.db2.gz MXVSINQESPHTPC-FPYYEXTBSA-N 0 0 439.972 5.331 50 10 IKCARN CC(C)N(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C ZINC000012382427 519583890 /nfs/dbraw/zinc/58/38/90/519583890.db2.gz ZAJFNVFXSCFVPY-UHFFFAOYSA-N 0 0 438.600 6.905 50 10 IKCARN CC(C)OC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000015906198 519742892 /nfs/dbraw/zinc/74/28/92/519742892.db2.gz KFNFMOHOFSMLAQ-FOWTUZBSSA-N 0 0 443.537 5.001 50 10 IKCARN CC(C)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000012401733 519835410 /nfs/dbraw/zinc/83/54/10/519835410.db2.gz ZOYFOHZSMMYFBL-UHFFFAOYSA-N 0 0 426.541 5.558 50 10 IKCARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCC[C@]21C ZINC000016948568 519840536 /nfs/dbraw/zinc/84/05/36/519840536.db2.gz ZBMNCDSLPYJJTF-KWXIBIRDSA-N 0 0 436.596 6.224 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(OC)c(Cl)c4)o3)C2=N)S1 ZINC000033143532 519894290 /nfs/dbraw/zinc/89/42/90/519894290.db2.gz YDIPZWUZDSRIPC-CCPUYDQRSA-N 0 0 428.901 5.028 50 10 IKCARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)no2)cc1 ZINC000021524312 520805154 /nfs/dbraw/zinc/80/51/54/520805154.db2.gz SZDGUYYVEWUVGZ-UHFFFAOYSA-N 0 0 445.519 5.242 50 10 IKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000035045220 520895628 /nfs/dbraw/zinc/89/56/28/520895628.db2.gz UTGGBJMSXIYJJH-BOPFTXTBSA-N 0 0 431.706 6.713 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763260 520932381 /nfs/dbraw/zinc/93/23/81/520932381.db2.gz QJCVTACPCDMFHR-ISKFKSNPSA-N 0 0 441.358 6.320 50 10 IKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020763300 520932696 /nfs/dbraw/zinc/93/26/96/520932696.db2.gz HVTQCFUPOBJVPA-ZEQKJWHPSA-N 0 0 434.511 5.551 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000020762963 521416063 /nfs/dbraw/zinc/41/60/63/521416063.db2.gz KAGMOKBFEVDSPA-DHLKQENFSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3Cl)N2)c1O ZINC000020763066 521424275 /nfs/dbraw/zinc/42/42/75/521424275.db2.gz MPYJMIBBRUAKOP-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000020763105 521425310 /nfs/dbraw/zinc/42/53/10/521425310.db2.gz IXCYDBSALXCUAM-GJZUVCINSA-N 0 0 432.520 5.031 50 10 IKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000020763625 521425535 /nfs/dbraw/zinc/42/55/35/521425535.db2.gz PGFYIBFRPZDEPK-RDGATRHJSA-N 0 0 436.939 5.675 50 10 IKCARN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1 ZINC000016192542 521488592 /nfs/dbraw/zinc/48/85/92/521488592.db2.gz JYYLGFIUALTOOL-STZFKDTASA-N 0 0 448.906 5.891 50 10 IKCARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000035079264 521517023 /nfs/dbraw/zinc/51/70/23/521517023.db2.gz OFPSANYOPPNJAG-DEDYPNTBSA-N 0 0 435.574 5.077 50 10 IKCARN CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000022419044 521539983 /nfs/dbraw/zinc/53/99/83/521539983.db2.gz AFIXGSCNDYONJF-VWLOTQADSA-N 0 0 444.579 5.077 50 10 IKCARN CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc32)cc1 ZINC000020604029 522242858 /nfs/dbraw/zinc/24/28/58/522242858.db2.gz AMMAPBFYTFQLBY-UKQRWCPRSA-N 0 0 443.635 5.189 50 10 IKCARN COc1cc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000012469706 522928351 /nfs/dbraw/zinc/92/83/51/522928351.db2.gz UJBJTLCKAAEMCS-SXGZJXTBSA-N 0 0 434.761 6.255 50 10 IKCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)o1 ZINC000015938688 522973244 /nfs/dbraw/zinc/97/32/44/522973244.db2.gz NDCRXQRZHWQJIZ-UNOMPAQXSA-N 0 0 437.839 5.323 50 10 IKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000013126529 523263217 /nfs/dbraw/zinc/26/32/17/523263217.db2.gz MAYKYHGTFDHAHC-UHFFFAOYSA-N 0 0 436.559 5.559 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020763389 523903531 /nfs/dbraw/zinc/90/35/31/523903531.db2.gz XRJYCWVMCYRRJI-LADGPHEKSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c(C)n1-c1ccccc1 ZINC000012638760 524196780 /nfs/dbraw/zinc/19/67/80/524196780.db2.gz OYGAHIXUAFOJCB-NDEPHWFRSA-N 0 0 448.522 6.356 50 10 IKCARN Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000033347562 524223917 /nfs/dbraw/zinc/22/39/17/524223917.db2.gz ATVRHHZTBJFHGQ-QNGOZBTKSA-N 0 0 431.538 5.620 50 10 IKCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1Cl ZINC000020722290 524405700 /nfs/dbraw/zinc/40/57/00/524405700.db2.gz XXEYZSOWVRNSOI-UHFFFAOYSA-N 0 0 446.938 5.361 50 10 IKCARN COc1ccc(N2CCOCC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000009409749 524440829 /nfs/dbraw/zinc/44/08/29/524440829.db2.gz MIIMJWDIXMXQRO-UHFFFAOYSA-N 0 0 437.348 5.306 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1C ZINC000020324856 524531293 /nfs/dbraw/zinc/53/12/93/524531293.db2.gz ILNGLXUQIWFJOM-MOSHPQCFSA-N 0 0 437.611 6.595 50 10 IKCARN Cc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)cc1 ZINC000020902489 524558022 /nfs/dbraw/zinc/55/80/22/524558022.db2.gz LEZUFUSNSMXQRS-UHFFFAOYSA-N 0 0 434.583 6.652 50 10 IKCARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000021891785 524627902 /nfs/dbraw/zinc/62/79/02/524627902.db2.gz BRHKSBINHGFGCX-HHHXNRCGSA-N 0 0 436.559 5.989 50 10 IKCARN COc1ccccc1[C@@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2O)N1 ZINC000020763763 524760959 /nfs/dbraw/zinc/76/09/59/524760959.db2.gz UMSSTSXPSLGLKF-NZQKXSOJSA-N 0 0 437.337 5.386 50 10 IKCARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)C1 ZINC000020489498 525378663 /nfs/dbraw/zinc/37/86/63/525378663.db2.gz QZARURGOLJKZON-SZPZYZBQSA-N 0 0 426.604 6.531 50 10 IKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1c(O)cccc1OC ZINC000012158703 525569838 /nfs/dbraw/zinc/56/98/38/525569838.db2.gz NZILGZKIFBIYNO-HSZRJFAPSA-N 0 0 425.525 5.792 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 ZINC000012436920 525743120 /nfs/dbraw/zinc/74/31/20/525743120.db2.gz SDSNPUMVZIJDBQ-JJIBRWJFSA-N 0 0 443.572 5.043 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000041083236 526083162 /nfs/dbraw/zinc/08/31/62/526083162.db2.gz KKOAEZNAMVISNT-KMFLQCEESA-N 0 0 439.972 5.331 50 10 IKCARN Cc1cc(/C=C2/c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C ZINC000012549327 526088335 /nfs/dbraw/zinc/08/83/35/526088335.db2.gz SBCOSBAVCMUIDZ-IMRQLAEWSA-N 0 0 446.550 6.439 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1C ZINC000033332255 526088992 /nfs/dbraw/zinc/08/89/92/526088992.db2.gz CDWYCWUWGVGNDJ-RWYGKYMDSA-N 0 0 438.556 5.707 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012631160 526089715 /nfs/dbraw/zinc/08/97/15/526089715.db2.gz FAOGFBMOLCRCMR-CHMHAOGKSA-N 0 0 430.455 5.280 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1N1CCCC1 ZINC000034868477 526093301 /nfs/dbraw/zinc/09/33/01/526093301.db2.gz HGDZPCJYOHNHBW-NDENLUEZSA-N 0 0 447.387 6.139 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000012383805 526097350 /nfs/dbraw/zinc/09/73/50/526097350.db2.gz OJTQHEBLBKOMMM-GNUZOCDUSA-N 0 0 425.962 6.562 50 10 IKCARN C[C@H](c1ccccc1O)N(Cc1ccccc1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000012338986 526117765 /nfs/dbraw/zinc/11/77/65/526117765.db2.gz ZIRBHMQTTIDBKF-OAHLLOKOSA-N 0 0 431.388 6.659 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)n1-c1ccc(C)c(F)c1 ZINC000021283284 526213883 /nfs/dbraw/zinc/21/38/83/526213883.db2.gz NPQMMIDISGEGEJ-UHFFFAOYSA-N 0 0 425.485 5.468 50 10 IKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1cccc(F)c1 ZINC000012624962 526214185 /nfs/dbraw/zinc/21/41/85/526214185.db2.gz NDEPPIYZLMPXCI-UHFFFAOYSA-N 0 0 437.565 5.702 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(OCC)cc3)ccc21 ZINC000003057237 534915182 /nfs/dbraw/zinc/91/51/82/534915182.db2.gz VZEPNPUXJTYDTB-UHFFFAOYSA-N 0 0 441.641 5.093 50 10 IKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccccc3CC)ccc21 ZINC000003057212 534915342 /nfs/dbraw/zinc/91/53/42/534915342.db2.gz NTKHVNUTZKLWHT-UHFFFAOYSA-N 0 0 425.642 5.257 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(OC)cc3)[C@@H](C)CC)ccc21 ZINC000003585625 534915454 /nfs/dbraw/zinc/91/54/54/534915454.db2.gz UPDPCQAKXGLACZ-IBGZPJMESA-N 0 0 425.642 5.855 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(Cl)c3)[C@H](C)CC)ccc21 ZINC000003585642 534915850 /nfs/dbraw/zinc/91/58/50/534915850.db2.gz GPHKVEZXHWCNCO-LJQANCHMSA-N 0 0 444.088 6.809 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(Cl)c2)N1 ZINC000020764977 526347097 /nfs/dbraw/zinc/34/70/97/526347097.db2.gz OYKFIMGHJCAGEJ-XXBNENTESA-N 0 0 441.314 5.650 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccccc2Cl)N1 ZINC000020763538 526347363 /nfs/dbraw/zinc/34/73/63/526347363.db2.gz JASVRWHNSBCFKZ-AUSIDOKSSA-N 0 0 441.314 5.650 50 10 IKCARN O=C(OCCOc1ccc(Cl)cc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000016044846 526419748 /nfs/dbraw/zinc/41/97/48/526419748.db2.gz SVTMCWMQTJJNEB-UHFFFAOYSA-N 0 0 441.266 5.005 50 10 IKCARN O=C(NCc1cccc(F)c1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902551 526719577 /nfs/dbraw/zinc/71/95/77/526719577.db2.gz ROOCAYNSQZCFDG-UHFFFAOYSA-N 0 0 438.546 6.482 50 10 IKCARN O=C(NCc1cccs1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902521 526783665 /nfs/dbraw/zinc/78/36/65/526783665.db2.gz YADLDQFJKQWCSL-UHFFFAOYSA-N 0 0 426.585 6.405 50 10 IKCARN O=C(c1ccccc1)c1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018191786 526798706 /nfs/dbraw/zinc/79/87/06/526798706.db2.gz ASZPFNMIPOZUDL-QNEJGDQOSA-N 0 0 428.495 7.390 50 10 IKCARN Cc1sc2nc(CN3CCCC3)nc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2c1C ZINC000012514764 526890573 /nfs/dbraw/zinc/89/05/73/526890573.db2.gz ICSRUIYLOFFEPO-UHFFFAOYSA-N 0 0 444.608 5.074 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000009311248 526939564 /nfs/dbraw/zinc/93/95/64/526939564.db2.gz YGWFFUJXGLRQBA-NCELDCMTSA-N 0 0 433.938 7.478 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCc1ccccc1 ZINC000014946051 526939660 /nfs/dbraw/zinc/93/96/60/526939660.db2.gz IDKQUWOGKOJZTC-ZHZULCJRSA-N 0 0 436.514 5.299 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccccc1Br ZINC000013894639 526939848 /nfs/dbraw/zinc/93/98/48/526939848.db2.gz WHJSOJOXOJNYSQ-NBVRZTHBSA-N 0 0 436.736 6.574 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCc1ccccc1 ZINC000033395479 526940033 /nfs/dbraw/zinc/94/00/33/526940033.db2.gz JXCZVFRJRLIWLV-ZHZULCJRSA-N 0 0 425.962 6.044 50 10 IKCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000012285100 526941344 /nfs/dbraw/zinc/94/13/44/526941344.db2.gz RGCNFVKVCMYSGA-AUWJEWJLSA-N 0 0 445.190 6.162 50 10 IKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1CCOc1ccccc1 ZINC000012466966 526941559 /nfs/dbraw/zinc/94/15/59/526941559.db2.gz OPOOYZXOGHPQQF-XLNRJJMWSA-N 0 0 433.554 5.759 50 10 IKCARN O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1C1CCCCC1 ZINC000016450035 526942019 /nfs/dbraw/zinc/94/20/19/526942019.db2.gz KSYHMYFRLRRWLY-STZFKDTASA-N 0 0 444.021 6.453 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000001415973 526945988 /nfs/dbraw/zinc/94/59/88/526945988.db2.gz YDLGBGZPNLZPAE-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(Cl)cc1 ZINC000014922770 526946689 /nfs/dbraw/zinc/94/66/89/526946689.db2.gz YNBVHOYGMAAXCA-OVCLIPMQSA-N 0 0 429.781 5.918 50 10 IKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Sc2ccc(Br)cc2)o1 ZINC000041155233 527044378 /nfs/dbraw/zinc/04/43/78/527044378.db2.gz IHWHZOGIGCCQEF-FOWTUZBSSA-N 0 0 449.395 5.650 50 10 IKCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000012496863 527068310 /nfs/dbraw/zinc/06/83/10/527068310.db2.gz QTVXLWNPAHGBLL-UHFFFAOYSA-N 0 0 433.964 5.983 50 10 IKCARN O=C(NC1CCCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020489526 527519311 /nfs/dbraw/zinc/51/93/11/527519311.db2.gz DRRBXISVRYUEMJ-UHFFFAOYSA-N 0 0 426.604 6.866 50 10 IKCARN O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000032937673 527618792 /nfs/dbraw/zinc/61/87/92/527618792.db2.gz CDBCUOMMAOSDFG-RUZDIDTESA-N 0 0 444.575 5.305 50 10 IKCARN CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000004757660 535485574 /nfs/dbraw/zinc/48/55/74/535485574.db2.gz LMGBIRHMDKESTO-FMIVXFBMSA-N 0 0 429.564 5.830 50 10 IKCARN Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000000705785 555544721 /nfs/dbraw/zinc/54/47/21/555544721.db2.gz LYKHBTSJTXOYQG-UHFFFAOYSA-N 0 0 434.464 5.983 50 10 IKCARN COc1cc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000000846836 555569557 /nfs/dbraw/zinc/56/95/57/555569557.db2.gz DQCPQSBZPWAWPX-VWLOTQADSA-N 0 0 443.499 5.091 50 10 biogenic,in-vitro IKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@@H](C)CC3)c1 ZINC000000920908 555584673 /nfs/dbraw/zinc/58/46/73/555584673.db2.gz PYMNHHOLIWZYKE-AWEZNQCLSA-N 0 0 440.565 5.656 50 10 IKCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1 ZINC000000944112 555587657 /nfs/dbraw/zinc/58/76/57/555587657.db2.gz OUOLOFHQNYOJJP-UHFFFAOYSA-N 0 0 428.560 5.262 50 10 IKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000001011157 555601942 /nfs/dbraw/zinc/60/19/42/555601942.db2.gz QJTCJLIUABTWBW-UCQKPKSFSA-N 0 0 449.551 5.536 50 10 IKCARN CC(C)N1C(=O)/C(=C/c2ccc(COc3cccc(Cl)c3Cl)o2)SC1=S ZINC000001021557 555603615 /nfs/dbraw/zinc/60/36/15/555603615.db2.gz XPKRCVQOWRQMMY-NVNXTCNLSA-N 0 0 428.362 5.775 50 10 IKCARN CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000001063320 555617040 /nfs/dbraw/zinc/61/70/40/555617040.db2.gz PCRAIZZSKAOEGE-AREMUKBSSA-N 0 0 441.575 5.138 50 10 IKCARN O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1cccs1 ZINC000001121413 555638284 /nfs/dbraw/zinc/63/82/84/555638284.db2.gz YFBNGNLLWVASRC-UYRXBGFRSA-N 0 0 437.567 5.369 50 10 IKCARN COc1ccc(N2C(=O)/C(=C/c3ccc4c5ccccc5n(C)c4c3)SC2=S)cc1 ZINC000001152323 555656959 /nfs/dbraw/zinc/65/69/59/555656959.db2.gz DTBANQZXJKAKIF-HMAPJEAMSA-N 0 0 430.554 5.746 50 10 IKCARN Cc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 ZINC000001156951 555659548 /nfs/dbraw/zinc/65/95/48/555659548.db2.gz YADWDLPWBYGWQZ-UDWIEESQSA-N 0 0 435.530 5.408 50 10 IKCARN CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000001167398 555664698 /nfs/dbraw/zinc/66/46/98/555664698.db2.gz PQHGCRDZHDHMQE-MOSHPQCFSA-N 0 0 428.941 5.105 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(CCOc3cc(C)ccc3C)c3ccccc23)SC1=S ZINC000001168761 555665289 /nfs/dbraw/zinc/66/52/89/555665289.db2.gz RVZHAQKZIFZTFN-HMAPJEAMSA-N 0 0 436.602 5.558 50 10 IKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1 ZINC000001182815 555672473 /nfs/dbraw/zinc/67/24/73/555672473.db2.gz NUFLEIWYRZPIQN-ATVHPVEESA-N 0 0 434.945 5.099 50 10 IKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000001186878 555674634 /nfs/dbraw/zinc/67/46/34/555674634.db2.gz SQMMUSGVZZUEGY-CPNJWEJPSA-N 0 0 428.554 5.008 50 10 IKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000001186875 555674713 /nfs/dbraw/zinc/67/47/13/555674713.db2.gz ZRLMEWFVYCBWQS-XMHGGMMESA-N 0 0 445.009 5.523 50 10 IKCARN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000001209349 555681566 /nfs/dbraw/zinc/68/15/66/555681566.db2.gz DSLGGWUUDXOOTH-DEDYPNTBSA-N 0 0 435.526 5.135 50 10 IKCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000001411629 555694384 /nfs/dbraw/zinc/69/43/84/555694384.db2.gz ILKRIUNBHNXCLE-ZDLGFXPLSA-N 0 0 449.384 6.209 50 10 IKCARN Nc1c(C(=O)Oc2ccc(Cl)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000001471622 555701512 /nfs/dbraw/zinc/70/15/12/555701512.db2.gz UMTCNQLADONFQM-UHFFFAOYSA-N 0 0 438.814 6.030 50 10 IKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Br)cc1 ZINC000001782194 555714915 /nfs/dbraw/zinc/71/49/15/555714915.db2.gz KQKZXJDBKZDKMY-HSZRJFAPSA-N 0 0 432.317 5.827 50 10 IKCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Br)cc1 ZINC000001782193 555714928 /nfs/dbraw/zinc/71/49/28/555714928.db2.gz KQKZXJDBKZDKMY-QHCPKHFHSA-N 0 0 432.317 5.827 50 10 IKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S ZINC000001798127 555716626 /nfs/dbraw/zinc/71/66/26/555716626.db2.gz FPIKCQRYNPQHBA-DVSFIDLUSA-N 0 0 430.639 5.621 50 10 IKCARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)c1C ZINC000001926283 555725085 /nfs/dbraw/zinc/72/50/85/555725085.db2.gz XLJJGBLBWCKYGZ-UHFFFAOYSA-N 0 0 447.556 5.952 50 10 IKCARN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1cccc(Cl)c1 ZINC000002056488 555730908 /nfs/dbraw/zinc/73/09/08/555730908.db2.gz HMHICAGMUJHSEB-HYARGMPZSA-N 0 0 431.969 7.052 50 10 IKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000002064096 555733058 /nfs/dbraw/zinc/73/30/58/555733058.db2.gz RZIGUFITZCMEIG-UHFFFAOYSA-N 0 0 428.484 5.563 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@@H](C)C2 ZINC000002072948 555735176 /nfs/dbraw/zinc/73/51/76/555735176.db2.gz UNPNJTZSQAKLIL-CYBMUJFWSA-N 0 0 444.984 6.301 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@H](C)C2 ZINC000002072947 555735199 /nfs/dbraw/zinc/73/51/99/555735199.db2.gz UNPNJTZSQAKLIL-ZDUSSCGKSA-N 0 0 444.984 6.301 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CC[C@H](C)C2 ZINC000002072943 555735208 /nfs/dbraw/zinc/73/52/08/555735208.db2.gz QIGADTORCOEIPM-HNNXBMFYSA-N 0 0 440.634 6.506 50 10 IKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000002120012 555745273 /nfs/dbraw/zinc/74/52/73/555745273.db2.gz MFNBAWVRUAVIDN-UDWIEESQSA-N 0 0 445.972 5.301 50 10 IKCARN COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002160159 555750867 /nfs/dbraw/zinc/75/08/67/555750867.db2.gz SCVSORPAGYTUES-UHFFFAOYSA-N 0 0 438.738 6.552 50 10 IKCARN CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c(C[NH+]2CCCCC2)c1[O-] ZINC000002581668 555788678 /nfs/dbraw/zinc/78/86/78/555788678.db2.gz HLSVIZFAYYJHSF-UHFFFAOYSA-N 0 0 449.444 5.872 50 10 IKCARN CCCCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000002672184 555797444 /nfs/dbraw/zinc/79/74/44/555797444.db2.gz ASALIJMHBJJVKQ-HNENSFHCSA-N 0 0 442.993 5.258 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000002674182 555797826 /nfs/dbraw/zinc/79/78/26/555797826.db2.gz NNISLMMBLACSTE-JCMHNJIXSA-N 0 0 439.602 5.808 50 10 IKCARN CCCC(=O)N[C@@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O ZINC000002815448 555828507 /nfs/dbraw/zinc/82/85/07/555828507.db2.gz WHQCGANOTXJOPB-QFIPXVFZSA-N 0 0 425.960 5.446 50 10 IKCARN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000002840120 555835078 /nfs/dbraw/zinc/83/50/78/555835078.db2.gz FBDHKVILQKJDDX-HZHRSRAPSA-N 0 0 431.582 5.975 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000002864070 555846399 /nfs/dbraw/zinc/84/63/99/555846399.db2.gz QZBGGTMIFOPGAN-HZHRSRAPSA-N 0 0 447.581 5.988 50 10 IKCARN CC[C@@H](C)c1ccccc1OCCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000002878435 555853561 /nfs/dbraw/zinc/85/35/61/555853561.db2.gz MLZGSZHFKOVLGO-GXPOEHQZSA-N 0 0 427.591 5.537 50 10 IKCARN O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000002965842 555868599 /nfs/dbraw/zinc/86/85/99/555868599.db2.gz KTDOXJNQLKAOJL-GIDUJCDVSA-N 0 0 430.765 5.715 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)SC2=S)c1 ZINC000003001733 555877855 /nfs/dbraw/zinc/87/78/55/555877855.db2.gz LPHULLFKTVBORY-HMAPJEAMSA-N 0 0 435.545 6.119 50 10 IKCARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccccc1F ZINC000003672740 555945750 /nfs/dbraw/zinc/94/57/50/555945750.db2.gz CWRMBSVULOHESE-XMMPIXPASA-N 0 0 436.918 5.473 50 10 IKCARN CN(C)c1ccccc1NC(=O)C1=CC(=NNc2ccc(Cl)cc2)c2ccccc2C1=O ZINC000004048201 555955461 /nfs/dbraw/zinc/95/54/61/555955461.db2.gz UJDHAJCLVKJAHE-ZQHSETAFSA-N 0 0 444.922 6.933 50 10 IKCARN COc1cc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000004164735 555971279 /nfs/dbraw/zinc/97/12/79/555971279.db2.gz PKONGJVFAYPTNC-QHCPKHFHSA-N 0 0 445.519 5.180 50 10 biogenic IKCARN CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000006387305 556086266 /nfs/dbraw/zinc/08/62/66/556086266.db2.gz DFGDEHMIIPYKSL-XMMPIXPASA-N 0 0 429.520 5.561 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1cccnc1)CCCCC2 ZINC000006406383 556086639 /nfs/dbraw/zinc/08/66/39/556086639.db2.gz OUUBJCRSRJFGOH-UHFFFAOYSA-N 0 0 441.984 5.938 50 10 IKCARN Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000006444190 556087658 /nfs/dbraw/zinc/08/76/58/556087658.db2.gz IHURJJHSHBKYJK-UHFFFAOYSA-N 0 0 432.479 5.766 50 10 IKCARN O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000006446001 556088167 /nfs/dbraw/zinc/08/81/67/556088167.db2.gz JYIBJKZHKXOLDT-RRRUWBTGSA-N 0 0 437.714 6.233 50 10 IKCARN O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1O ZINC000006457216 556089369 /nfs/dbraw/zinc/08/93/69/556089369.db2.gz HPNHVAVMMGWFEQ-YAOQVBECSA-N 0 0 444.918 5.544 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S ZINC000006470417 556089982 /nfs/dbraw/zinc/08/99/82/556089982.db2.gz ZFXCESJUYKDCTJ-WOJGMQOQSA-N 0 0 433.982 5.457 50 10 IKCARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006599799 556096527 /nfs/dbraw/zinc/09/65/27/556096527.db2.gz GJJCCABKDVQQRZ-LTGZKZEYSA-N 0 0 429.903 5.988 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000006645263 556099978 /nfs/dbraw/zinc/09/99/78/556099978.db2.gz LPDGDEYQTPGUII-XDHOZWIPSA-N 0 0 427.934 6.014 50 10 IKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 ZINC000006924968 556110886 /nfs/dbraw/zinc/11/08/86/556110886.db2.gz HVUGFBRDTPAFJP-NZQKXSOJSA-N 0 0 441.314 5.950 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000002696750 556121438 /nfs/dbraw/zinc/12/14/38/556121438.db2.gz SKHCQVCSQOPQOX-HYTQYMIGSA-N 0 0 444.578 6.272 50 10 IKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CC[C@H](C)C2 ZINC000002909586 556149748 /nfs/dbraw/zinc/14/97/48/556149748.db2.gz UZSKTCSMYDEEOI-HNNXBMFYSA-N 0 0 426.607 6.198 50 10 IKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000002962052 556151310 /nfs/dbraw/zinc/15/13/10/556151310.db2.gz DPUJFRJDYWASKS-WASCAKKMSA-N 0 0 427.591 5.489 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2OC)SC1=S ZINC000002993367 556155874 /nfs/dbraw/zinc/15/58/74/556155874.db2.gz SWOCQYLCKAAMCY-UYRXBGFRSA-N 0 0 449.981 5.028 50 10 IKCARN COc1ccc(-c2nc3c4ccccc4ccn3c2/N=N/c2nc3ccccc3n2C)cc1 ZINC000008386970 556162418 /nfs/dbraw/zinc/16/24/18/556162418.db2.gz IDFWWMMYXMINOY-QVIHXGFCSA-N 0 0 432.487 6.465 50 10 IKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000008398840 556165138 /nfs/dbraw/zinc/16/51/38/556165138.db2.gz CQYHMXMCNYOEQV-XDHOZWIPSA-N 0 0 427.934 6.014 50 10 IKCARN CC1CCN(S(=O)(=O)c2ccc(NN=C3C=C(Cl)C=C(Cl)C3=O)cc2)CC1 ZINC000008400623 556166255 /nfs/dbraw/zinc/16/62/55/556166255.db2.gz JVZPHHWDRXKEAC-QURGRASLSA-N 0 0 428.341 5.535 50 10 IKCARN O=C1C(=NNc2ccc(Cl)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000008409955 556167093 /nfs/dbraw/zinc/16/70/93/556167093.db2.gz XVKQVSUDKKABLM-CYYJNZCTSA-N 0 0 430.920 7.504 50 10 IKCARN COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1OC ZINC000008424939 556168290 /nfs/dbraw/zinc/16/82/90/556168290.db2.gz LMOFVLWTPSNGII-MOSHPQCFSA-N 0 0 448.902 5.918 50 10 IKCARN COc1cccc(/C=C/C(=C2\C(C)=NN(c3ccccc3)C2=O)c2ccc(C)cc2)c1OC ZINC000008424868 556168315 /nfs/dbraw/zinc/16/83/15/556168315.db2.gz QVNDILWMFVYOEB-AAVFARQKSA-N 0 0 438.527 5.902 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1OCc1ccccc1 ZINC000008425790 556168564 /nfs/dbraw/zinc/16/85/64/556168564.db2.gz RCMYFHYALKEBPV-BUVRLJJBSA-N 0 0 426.516 5.697 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000008425788 556168569 /nfs/dbraw/zinc/16/85/69/556168569.db2.gz OFFJKKJFDLKNIU-ODLFYWEKSA-N 0 0 437.839 5.323 50 10 IKCARN COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000008425794 556168572 /nfs/dbraw/zinc/16/85/72/556168572.db2.gz WPQHWAMIBCDLMB-MTJSOVHGSA-N 0 0 431.448 5.286 50 10 IKCARN CCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl ZINC000008430538 556170468 /nfs/dbraw/zinc/17/04/68/556170468.db2.gz DUMFVJKCNCKGGH-PDGQHHTCSA-N 0 0 432.307 5.279 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008435036 556173148 /nfs/dbraw/zinc/17/31/48/556173148.db2.gz TWHFOXCYUSMAFM-FRQCXROJSA-N 0 0 432.261 5.334 50 10 IKCARN Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000008437991 556174359 /nfs/dbraw/zinc/17/43/59/556174359.db2.gz KQSLBWJBZMFNLO-AREMUKBSSA-N 0 0 442.518 5.821 50 10 IKCARN CCc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1 ZINC000008438973 556174947 /nfs/dbraw/zinc/17/49/47/556174947.db2.gz DSPCZNWSCLGSTA-UHFFFAOYSA-N 0 0 442.587 5.516 50 10 IKCARN COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000008442875 556177740 /nfs/dbraw/zinc/17/77/40/556177740.db2.gz VJMWCJVZKVVUKP-LPYMAVHISA-N 0 0 434.442 5.359 50 10 IKCARN CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4cc(Cl)cc(Cl)c4)N=C3C)o2)c1 ZINC000008442993 556177983 /nfs/dbraw/zinc/17/79/83/556177983.db2.gz IMLXVRWBEDDTIM-MTJSOVHGSA-N 0 0 439.298 6.262 50 10 IKCARN CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 ZINC000008450737 556181566 /nfs/dbraw/zinc/18/15/66/556181566.db2.gz ZNWKKBDFEGEAAG-QINSGFPZSA-N 0 0 436.342 5.929 50 10 IKCARN CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000008451878 556182440 /nfs/dbraw/zinc/18/24/40/556182440.db2.gz HPWDEMHPWRBDIH-ZDLGFXPLSA-N 0 0 438.401 6.184 50 10 IKCARN Cc1ccnc(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 ZINC000008452688 556183128 /nfs/dbraw/zinc/18/31/28/556183128.db2.gz YGDWDKVACVMXAO-HHHXNRCGSA-N 0 0 447.538 6.424 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=N)S1 ZINC000008453012 556183436 /nfs/dbraw/zinc/18/34/36/556183436.db2.gz HOJCJOBOSVMXBO-YXBAXSDQSA-N 0 0 438.940 5.338 50 10 IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000008453005 556183475 /nfs/dbraw/zinc/18/34/75/556183475.db2.gz JWMZUHRCYYKYEM-KBPMXWKNSA-N 0 0 433.320 5.529 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(C)c1 ZINC000008454105 556184661 /nfs/dbraw/zinc/18/46/61/556184661.db2.gz GXQQCRJNMBUKQF-UNVFRBQDSA-N 0 0 448.563 6.070 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000008493083 556186474 /nfs/dbraw/zinc/18/64/74/556186474.db2.gz TVRXAPPPLJFOOY-YZQMTWDLSA-N 0 0 432.892 5.267 50 10 IKCARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000008496238 556186497 /nfs/dbraw/zinc/18/64/97/556186497.db2.gz BPTSCPOBXYHLRR-HZHRSRAPSA-N 0 0 428.488 5.626 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000008495073 556186524 /nfs/dbraw/zinc/18/65/24/556186524.db2.gz BWIVCKDLCREYJZ-AXPJIBDUSA-N 0 0 444.969 5.894 50 10 IKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(-c5ccc(Cl)cc5)o4)C3=N)S2)cc1 ZINC000008493092 556186625 /nfs/dbraw/zinc/18/66/25/556186625.db2.gz FRGFXGGFCSYFCZ-QDLOHUEYSA-N 0 0 446.919 5.576 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCC3)c1 ZINC000003066018 556187122 /nfs/dbraw/zinc/18/71/22/556187122.db2.gz VHNRACIDBDJLPL-UHFFFAOYSA-N 0 0 440.540 5.648 50 10 IKCARN C[C@@H](c1ccccc1O)N(Cc1ccccc1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000008616798 556192964 /nfs/dbraw/zinc/19/29/64/556192964.db2.gz ZIRBHMQTTIDBKF-HNNXBMFYSA-N 0 0 431.388 6.659 50 10 IKCARN COc1cc(OC)c(NCc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)cc1Cl ZINC000008738893 556205389 /nfs/dbraw/zinc/20/53/89/556205389.db2.gz FWRXVJNLZAGDCZ-UHFFFAOYSA-N 0 0 437.879 5.448 50 10 IKCARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc12 ZINC000009057016 556243069 /nfs/dbraw/zinc/24/30/69/556243069.db2.gz FFQDNOMGHJIZFU-BYYHNAKLSA-N 0 0 437.528 7.063 50 10 IKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000009188502 556251152 /nfs/dbraw/zinc/25/11/52/556251152.db2.gz VTWRKKAWEOCOPO-KQWNVCNZSA-N 0 0 447.581 6.070 50 10 IKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009188563 556251333 /nfs/dbraw/zinc/25/13/33/556251333.db2.gz BJDJNSJGKNGRHO-WQRHYEAKSA-N 0 0 437.417 6.245 50 10 IKCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009188566 556251357 /nfs/dbraw/zinc/25/13/57/556251357.db2.gz OREAPQOJMDTGGM-ZSOIEALJSA-N 0 0 444.297 5.874 50 10 IKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000009188924 556252074 /nfs/dbraw/zinc/25/20/74/556252074.db2.gz OSFLXEZAYKROSV-QOMWVZHYSA-N 0 0 438.596 6.279 50 10 IKCARN COc1cc2c(cc1NC(=O)CSc1nc3cc(Cl)ccc3[nH]1)oc1ccccc12 ZINC000009191545 556253769 /nfs/dbraw/zinc/25/37/69/556253769.db2.gz GQYXWQWDMOWCIU-UHFFFAOYSA-N 0 0 437.908 5.855 50 10 IKCARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009288529 556272898 /nfs/dbraw/zinc/27/28/98/556272898.db2.gz AFHYWEYSDWKWMI-VWLOTQADSA-N 0 0 437.547 5.338 50 10 IKCARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)n2c3ccccc3nc2N1 ZINC000009288549 556273212 /nfs/dbraw/zinc/27/32/12/556273212.db2.gz GWGICVOTBQOJDA-DEOSSOPVSA-N 0 0 441.510 5.169 50 10 IKCARN COCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000009295916 556275300 /nfs/dbraw/zinc/27/53/00/556275300.db2.gz UAYUBPZFFWKZGM-JCMHNJIXSA-N 0 0 435.570 5.266 50 10 IKCARN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000009310726 556278841 /nfs/dbraw/zinc/27/88/41/556278841.db2.gz XOBYHHZALPNJHD-KGENOOAVSA-N 0 0 448.525 5.580 50 10 IKCARN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000009310407 556278864 /nfs/dbraw/zinc/27/88/64/556278864.db2.gz HFKPMMGRLIISID-VGOFMYFVSA-N 0 0 444.843 5.673 50 10 IKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000009311245 556279590 /nfs/dbraw/zinc/27/95/90/556279590.db2.gz MOYVLFAOUVSFHP-NBVRZTHBSA-N 0 0 436.736 6.574 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1 ZINC000009311295 556279614 /nfs/dbraw/zinc/27/96/14/556279614.db2.gz TYPSOTKBMYKGAB-OQKWZONESA-N 0 0 448.478 6.635 50 10 IKCARN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1Cl ZINC000009311236 556279714 /nfs/dbraw/zinc/27/97/14/556279714.db2.gz GQIQZCPWNPTBGB-NBVRZTHBSA-N 0 0 436.736 6.574 50 10 IKCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC ZINC000013750201 556298766 /nfs/dbraw/zinc/29/87/66/556298766.db2.gz SWGHJPVHYDIAPY-NVNXTCNLSA-N 0 0 426.346 5.416 50 10 IKCARN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000013765764 556302760 /nfs/dbraw/zinc/30/27/60/556302760.db2.gz SFPQFFFBGIKXAJ-JCMHNJIXSA-N 0 0 443.572 5.489 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013773684 556306041 /nfs/dbraw/zinc/30/60/41/556306041.db2.gz ZRLMEWFVYCBWQS-RGEXLXHISA-N 0 0 445.009 5.523 50 10 IKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3CC)C2=O)cc1 ZINC000013774038 556306636 /nfs/dbraw/zinc/30/66/36/556306636.db2.gz SZMUKMILPNFXCY-PGMHBOJBSA-N 0 0 438.618 5.432 50 10 IKCARN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)Nc1cccc2ccccc21 ZINC000013775087 556307160 /nfs/dbraw/zinc/30/71/60/556307160.db2.gz JOPMGMSOXOYIMA-UHFFFAOYSA-N 0 0 426.859 5.913 50 10 IKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013798726 556309831 /nfs/dbraw/zinc/30/98/31/556309831.db2.gz XFWAHYZWPLXVJP-AQTBWJFISA-N 0 0 430.982 5.269 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccnc1 ZINC000013799757 556310220 /nfs/dbraw/zinc/31/02/20/556310220.db2.gz OSSMVEKTMIYETA-HMMYKYKNSA-N 0 0 435.439 5.721 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000013810857 556312285 /nfs/dbraw/zinc/31/22/85/556312285.db2.gz BFDWUEFQAVLBKZ-JHBSOEOQSA-N 0 0 431.348 5.568 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013810828 556312317 /nfs/dbraw/zinc/31/23/17/556312317.db2.gz WTYPWUUMPYUVKE-JHBSOEOQSA-N 0 0 431.348 5.568 50 10 IKCARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CNc1ccccc1Br ZINC000013881967 556326560 /nfs/dbraw/zinc/32/65/60/556326560.db2.gz CUJBRVKKDKBWRU-OQLLNIDSSA-N 0 0 439.787 5.373 50 10 IKCARN Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000013898591 556330476 /nfs/dbraw/zinc/33/04/76/556330476.db2.gz PQXCMCKDZHUMSE-HAHDFKILSA-N 0 0 431.582 5.975 50 10 IKCARN CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)S1 ZINC000013940594 556337900 /nfs/dbraw/zinc/33/79/00/556337900.db2.gz SKDXCDDFOFEHCL-MTJSOVHGSA-N 0 0 436.920 5.179 50 10 IKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000013944064 556341007 /nfs/dbraw/zinc/34/10/07/556341007.db2.gz VSDHYHXAPRPWRK-STZFKDTASA-N 0 0 427.591 5.407 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCc1ccccc1 ZINC000011617148 556342876 /nfs/dbraw/zinc/34/28/76/556342876.db2.gz CRBYLYMBTMGTHZ-XSFVSMFZSA-N 0 0 436.514 5.299 50 10 IKCARN CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000014009850 556354420 /nfs/dbraw/zinc/35/44/20/556354420.db2.gz CYXSAZUJYIMJMP-BUVRLJJBSA-N 0 0 447.966 6.187 50 10 IKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000014009607 556354423 /nfs/dbraw/zinc/35/44/23/556354423.db2.gz CKIGYCMDELTOCY-BWAHOGKJSA-N 0 0 444.575 5.657 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000014010052 556354438 /nfs/dbraw/zinc/35/44/38/556354438.db2.gz JWSUPPLTLIENAG-ATVHPVEESA-N 0 0 432.303 5.269 50 10 IKCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000014009521 556354448 /nfs/dbraw/zinc/35/44/48/556354448.db2.gz LTMYQPMFNWBGSI-NHDPSOOVSA-N 0 0 440.971 5.385 50 10 IKCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000014010571 556354797 /nfs/dbraw/zinc/35/47/97/556354797.db2.gz VWNNOAIDPJIJBW-HAHDFKILSA-N 0 0 430.479 5.110 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000032593921 556407477 /nfs/dbraw/zinc/40/74/77/556407477.db2.gz ULVWBZUFPNBCHT-KEBDBYFISA-N 0 0 439.489 5.216 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000032640980 556411989 /nfs/dbraw/zinc/41/19/89/556411989.db2.gz MAECJXAYRZJGMQ-IHVOSJJMSA-N 0 0 446.919 5.462 50 10 IKCARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl ZINC000028287545 556448001 /nfs/dbraw/zinc/44/80/01/556448001.db2.gz JRUVXOVXTZRWLZ-IBGZPJMESA-N 0 0 437.971 5.419 50 10 IKCARN Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)cc(=O)c2cc1Cl ZINC000028288383 556448208 /nfs/dbraw/zinc/44/82/08/556448208.db2.gz VKIZZQWZXGGUAU-UHFFFAOYSA-N 0 0 447.922 5.063 50 10 IKCARN Cc1ccc(C(=O)Nc2cccc(C=C3SC(Nc4cc(C)ccc4C)=NC3=O)c2)cc1 ZINC000013041967 556448183 /nfs/dbraw/zinc/44/81/83/556448183.db2.gz KJWREIBXDUVDKW-HAHDFKILSA-N 0 0 441.556 5.947 50 10 IKCARN Cc1cc(C(=O)[C@@H](C)OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013095516 556456703 /nfs/dbraw/zinc/45/67/03/556456703.db2.gz BZOFMNNHPCFDFE-KAKFPZCNSA-N 0 0 441.955 5.257 50 10 IKCARN CCN(CC)c1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1 ZINC000028580808 556456675 /nfs/dbraw/zinc/45/66/75/556456675.db2.gz YLKFMVXKLBBQCW-UHFFFAOYSA-N 0 0 441.575 6.446 50 10 IKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1 ZINC000015012081 556483542 /nfs/dbraw/zinc/48/35/42/556483542.db2.gz GKPNYBGIYHOLLH-SFQUDFHCSA-N 0 0 429.975 6.490 50 10 IKCARN Cc1ccnc(N[C@@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016654 556485793 /nfs/dbraw/zinc/48/57/93/556485793.db2.gz PZEUMJUWHZCRJQ-NRFANRHFSA-N 0 0 434.337 5.916 50 10 IKCARN COc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1[N+](=O)[O-] ZINC000015016965 556486561 /nfs/dbraw/zinc/48/65/61/556486561.db2.gz NCUKGVAQQZZNPE-HXUWFJFHSA-N 0 0 436.855 5.107 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000013169297 556498376 /nfs/dbraw/zinc/49/83/76/556498376.db2.gz UVQLYVGRJTZQFB-JFBLTNLISA-N 0 0 431.348 5.568 50 10 IKCARN Clc1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1 ZINC000013370285 556503493 /nfs/dbraw/zinc/50/34/93/556503493.db2.gz DACBWLIZQKHTQJ-PSTGCABASA-N 0 0 442.127 6.425 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000030765766 556505834 /nfs/dbraw/zinc/50/58/34/556505834.db2.gz RBHDFDMUKBBEIZ-YZQMTWDLSA-N 0 0 432.892 5.267 50 10 IKCARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1 ZINC000013510976 556510161 /nfs/dbraw/zinc/51/01/61/556510161.db2.gz JKPRBBCONXVSOD-JWGURIENSA-N 0 0 444.560 5.004 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000013562257 556517854 /nfs/dbraw/zinc/51/78/54/556517854.db2.gz TWHFOXCYUSMAFM-GPMSIDNRSA-N 0 0 432.261 5.334 50 10 IKCARN COc1ccc(N(C)C(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 ZINC000013562594 556517882 /nfs/dbraw/zinc/51/78/82/556517882.db2.gz WRGLJNQEYLTNCQ-UHFFFAOYSA-N 0 0 443.506 6.375 50 10 IKCARN Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000032903773 556540135 /nfs/dbraw/zinc/54/01/35/556540135.db2.gz ORMFEYZTMAAHDJ-UHFFFAOYSA-N 0 0 442.563 5.268 50 10 IKCARN COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634613 556540535 /nfs/dbraw/zinc/54/05/35/556540535.db2.gz KLLKBTDTOANIRJ-FBLLAGFSSA-N 0 0 432.545 5.323 50 10 IKCARN CCCCC1(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000013645259 556543564 /nfs/dbraw/zinc/54/35/64/556543564.db2.gz RGXSHOGFLVZTOM-UHFFFAOYSA-N 0 0 441.531 5.187 50 10 IKCARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1OC ZINC000033715537 556567144 /nfs/dbraw/zinc/56/71/44/556567144.db2.gz CZMSCMQQQCPIFB-AWEZNQCLSA-N 0 0 440.337 5.689 50 10 IKCARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1 ZINC000015947824 556568687 /nfs/dbraw/zinc/56/86/87/556568687.db2.gz SMQKGHAPEDXRRK-WHEQGISXSA-N 0 0 438.980 6.252 50 10 IKCARN CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000015947817 556568688 /nfs/dbraw/zinc/56/86/88/556568688.db2.gz GDAVIIMNADPHBO-CQLKUDPESA-N 0 0 427.353 5.713 50 10 IKCARN COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000015821574 556575153 /nfs/dbraw/zinc/57/51/53/556575153.db2.gz MDWNHEVMSYQJKP-QFIPXVFZSA-N 0 0 432.907 5.430 50 10 biogenic IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000034713460 556581484 /nfs/dbraw/zinc/58/14/84/556581484.db2.gz XGKCMNPYIDYPKA-TUKHXMGSSA-N 0 0 445.592 5.602 50 10 IKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000016192801 556588692 /nfs/dbraw/zinc/58/86/92/556588692.db2.gz VOYAPHVFLMKYKB-KGENOOAVSA-N 0 0 449.601 5.468 50 10 IKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 ZINC000016192663 556588730 /nfs/dbraw/zinc/58/87/30/556588730.db2.gz YMDXXZNDQQUJMI-NOTUOJBMSA-N 0 0 440.974 6.760 50 10 IKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000016193143 556589023 /nfs/dbraw/zinc/58/90/23/556589023.db2.gz AAEUOASCCBQFAU-NVMNQCDNSA-N 0 0 433.385 6.497 50 10 IKCARN C[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1ccccc1 ZINC000016193307 556589302 /nfs/dbraw/zinc/58/93/02/556589302.db2.gz CLRSSTQQYNXACC-GRVPHDJPSA-N 0 0 435.545 6.372 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000016214831 556591576 /nfs/dbraw/zinc/59/15/76/556591576.db2.gz BORPCIJAFXTYEJ-HAHDFKILSA-N 0 0 447.581 5.676 50 10 IKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1 ZINC000247903616 556617212 /nfs/dbraw/zinc/61/72/12/556617212.db2.gz LDXBECMGKIJQKC-UZLBHIALSA-N 0 0 445.700 5.643 50 10 IKCARN CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 ZINC000033676937 556620677 /nfs/dbraw/zinc/62/06/77/556620677.db2.gz NQNOWYYVUCPTLH-PDGQHHTCSA-N 0 0 425.315 6.676 50 10 IKCARN COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1 ZINC000016672206 556621980 /nfs/dbraw/zinc/62/19/80/556621980.db2.gz YIKOBSATCXWBPI-RUZDIDTESA-N 0 0 439.939 5.219 50 10 IKCARN Cc1cccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000100574248 556622915 /nfs/dbraw/zinc/62/29/15/556622915.db2.gz VLEVDRBVAFVSFI-UHFFFAOYSA-N 0 0 431.495 6.703 50 10 IKCARN Cc1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)c(C)n1-c1ccccn1 ZINC000016679579 556623476 /nfs/dbraw/zinc/62/34/76/556623476.db2.gz YJEJVEHNVUPEBX-UHFFFAOYSA-N 0 0 442.466 5.426 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000016682876 556624887 /nfs/dbraw/zinc/62/48/87/556624887.db2.gz BZPSMRYVNCATOC-MOSHPQCFSA-N 0 0 440.337 5.333 50 10 IKCARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)c1 ZINC000039944180 556630529 /nfs/dbraw/zinc/63/05/29/556630529.db2.gz MJNBPQFGXZARHX-ZCYQVOJMSA-N 0 0 433.939 5.657 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000016791054 556643067 /nfs/dbraw/zinc/64/30/67/556643067.db2.gz IDOFVDVYSKOXIQ-NPRIEWAGSA-N 0 0 434.026 7.018 50 10 IKCARN COc1ccccc1/C=C1/N=C(c2ccc(OC)c(OC)c2)N(c2ccc(C)cc2C)C1=O ZINC000011847371 556660325 /nfs/dbraw/zinc/66/03/25/556660325.db2.gz RXAMMFHDWJHJKF-RCCKNPSSSA-N 0 0 442.515 5.164 50 10 IKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Cl)c1O ZINC000013913957 556661803 /nfs/dbraw/zinc/66/18/03/556661803.db2.gz ADRNTVKDTJUZFE-MOSHPQCFSA-N 0 0 432.907 5.587 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000017136163 556669507 /nfs/dbraw/zinc/66/95/07/556669507.db2.gz FVJACXNWSPLCFK-KQWNVCNZSA-N 0 0 447.581 6.070 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265391 556674215 /nfs/dbraw/zinc/67/42/15/556674215.db2.gz DGBYBHFQPFLNJH-UGKGYDQZSA-N 0 0 445.733 6.595 50 10 IKCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000011914833 556674217 /nfs/dbraw/zinc/67/42/17/556674217.db2.gz QPRWHIVOIRUFEK-UHFFFAOYSA-N 0 0 435.911 5.497 50 10 IKCARN CC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000017821755 556679652 /nfs/dbraw/zinc/67/96/52/556679652.db2.gz XGFZZURANXHOPT-JAFLTTMTSA-N 0 0 444.775 5.221 50 10 IKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CCCCC1 ZINC000013517284 556681931 /nfs/dbraw/zinc/68/19/31/556681931.db2.gz VMZNZMOSZRNIJN-STZFKDTASA-N 0 0 444.021 6.453 50 10 IKCARN COc1ccc(N2CCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)CC2)cc1 ZINC000018106330 556684142 /nfs/dbraw/zinc/68/41/42/556684142.db2.gz FMBWVDICPKTPID-UHFFFAOYSA-N 0 0 445.950 5.184 50 10 IKCARN COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC ZINC000018190086 556686026 /nfs/dbraw/zinc/68/60/26/556686026.db2.gz PHJSFZUPVICELW-HSZRJFAPSA-N 0 0 445.519 5.180 50 10 IKCARN COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC ZINC000018208675 556686874 /nfs/dbraw/zinc/68/68/74/556686874.db2.gz BITXZZNWWHVZPE-JOCHJYFZSA-N 0 0 449.938 5.824 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1 ZINC000013590948 556701175 /nfs/dbraw/zinc/70/11/75/556701175.db2.gz YEMXYPRVNUXRRC-LICLKQGHSA-N 0 0 446.347 5.704 50 10 IKCARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031554 556711012 /nfs/dbraw/zinc/71/10/12/556711012.db2.gz SHTBDDHHLYMQFP-RLWLMLJZSA-N 0 0 426.604 6.722 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000005196389 556723666 /nfs/dbraw/zinc/72/36/66/556723666.db2.gz LSKCTAHLJWXCHD-ITYLOYPMSA-N 0 0 426.535 6.620 50 10 IKCARN Cc1ccc(-c2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl ZINC000013799110 556741553 /nfs/dbraw/zinc/74/15/53/556741553.db2.gz PDZIYEBXXWIGLG-OEEDQDNFSA-N 0 0 445.931 6.213 50 10 IKCARN COC(=O)c1cc(CSCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)oc1C ZINC000002655098 556802525 /nfs/dbraw/zinc/80/25/25/556802525.db2.gz LGWJDVBTKFFFSG-UHFFFAOYSA-N 0 0 431.941 5.552 50 10 IKCARN Cc1ccccc1-c1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)o1 ZINC000003203254 556804395 /nfs/dbraw/zinc/80/43/95/556804395.db2.gz SAGJMFPBBYQGEI-JJIBRWJFSA-N 0 0 443.572 5.356 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000003356037 556811530 /nfs/dbraw/zinc/81/15/30/556811530.db2.gz PEYXLUIYKSMUDC-UHFFFAOYSA-N 0 0 444.506 5.633 50 10 IKCARN Cc1cc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1 ZINC000003341887 556813111 /nfs/dbraw/zinc/81/31/11/556813111.db2.gz QKWYPGRQTYGIIL-JLHYYAGUSA-N 0 0 433.964 6.523 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccccc1F ZINC000003378423 556816288 /nfs/dbraw/zinc/81/62/88/556816288.db2.gz QSDHBUHCEMQPSM-UHFFFAOYSA-N 0 0 444.506 5.633 50 10 IKCARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CNc1cc(Cl)ccc1Cl ZINC000334161060 556837069 /nfs/dbraw/zinc/83/70/69/556837069.db2.gz RVIJCGYYOPYVBA-CHHVJCJISA-N 0 0 429.781 5.918 50 10 IKCARN CC1(C)OC(=O)C(=Cc2ccc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C(=O)O1 ZINC000096602403 556838009 /nfs/dbraw/zinc/83/80/09/556838009.db2.gz LMEXAYXEPWWTBF-UHFFFAOYSA-N 0 0 449.303 5.280 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000033153885 556878513 /nfs/dbraw/zinc/87/85/13/556878513.db2.gz YJPMNTPTLULLSS-JLFKZYKSSA-N 0 0 431.904 5.904 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000016031646 556892123 /nfs/dbraw/zinc/89/21/23/556892123.db2.gz IYFBLMBSWRSJAH-SKTBBKMWSA-N 0 0 432.608 5.441 50 10 biogenic IKCARN Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000020033548 556969393 /nfs/dbraw/zinc/96/93/93/556969393.db2.gz YVIFCSCQCFPNQE-OBTVHEKISA-N 0 0 444.600 6.239 50 10 IKCARN CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc21 ZINC000020059385 556975536 /nfs/dbraw/zinc/97/55/36/556975536.db2.gz ZUWCPTGIACZLKR-HYARGMPZSA-N 0 0 443.344 5.969 50 10 IKCARN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)c2ccccc2N1c1ccccc1 ZINC000020059410 556975569 /nfs/dbraw/zinc/97/55/69/556975569.db2.gz BANMKSMBXMDVOV-NLRVBDNBSA-N 0 0 444.509 7.048 50 10 IKCARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033265476 556975784 /nfs/dbraw/zinc/97/57/84/556975784.db2.gz XKKMEOZWCCRNTC-XMMPIXPASA-N 0 0 448.636 5.508 50 10 IKCARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1OC ZINC000048262282 557049935 /nfs/dbraw/zinc/04/99/35/557049935.db2.gz BWFPXOXSVHVMPR-UHFFFAOYSA-N 0 0 442.943 5.249 50 10 IKCARN COc1ccc(OC)c(/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)c1 ZINC000033288729 557066054 /nfs/dbraw/zinc/06/60/54/557066054.db2.gz FCXUYPVAJWWBHP-VGOFMYFVSA-N 0 0 425.699 5.470 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccco1 ZINC000033295263 557072598 /nfs/dbraw/zinc/07/25/98/557072598.db2.gz LIVFHSQJGKRWAA-MFOYZWKCSA-N 0 0 436.341 6.248 50 10 IKCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000023382741 557089818 /nfs/dbraw/zinc/08/98/18/557089818.db2.gz PLAIEIXVHBMPDU-BUVRLJJBSA-N 0 0 445.538 5.624 50 10 IKCARN CC(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000049003902 557091943 /nfs/dbraw/zinc/09/19/43/557091943.db2.gz FGALDVKBOHPFPH-UHFFFAOYSA-N 0 0 444.984 5.243 50 10 IKCARN CC(C)c1ccc(CSc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)cc1 ZINC000023597971 557100526 /nfs/dbraw/zinc/10/05/26/557100526.db2.gz QJCPHDCJSVJFNR-UHFFFAOYSA-N 0 0 432.592 5.340 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000049593228 557114842 /nfs/dbraw/zinc/11/48/42/557114842.db2.gz MRWFJCRXPLMBCN-UGWYOXCXSA-N 0 0 441.354 5.024 50 10 IKCARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000033332212 557117293 /nfs/dbraw/zinc/11/72/93/557117293.db2.gz WCXFDCFQTBRKJQ-WOJGMQOQSA-N 0 0 433.451 5.305 50 10 IKCARN COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000033332306 557117643 /nfs/dbraw/zinc/11/76/43/557117643.db2.gz WPQHWAMIBCDLMB-CIAFOILYSA-N 0 0 431.448 5.286 50 10 IKCARN O=C1N(Cc2cccc3ccccc32)c2ccccc2C12Nc1cccc3cccc(c31)N2 ZINC000049947087 557118808 /nfs/dbraw/zinc/11/88/08/557118808.db2.gz TXQDPIADBCYWGA-UHFFFAOYSA-N 0 0 427.507 6.230 50 10 IKCARN COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1OC ZINC000009010393 557130489 /nfs/dbraw/zinc/13/04/89/557130489.db2.gz MEFSZRVSQIJVBG-CKFHNAJUSA-N 0 0 433.289 5.135 50 10 IKCARN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cs2)cc1 ZINC000024208146 557141058 /nfs/dbraw/zinc/14/10/58/557141058.db2.gz ZCQOZCIQGQEMPR-UHFFFAOYSA-N 0 0 449.620 5.222 50 10 IKCARN COc1cc2c(cc1NCC(=O)Nc1ccccc1Br)oc1ccccc12 ZINC000011619273 557212196 /nfs/dbraw/zinc/21/21/96/557212196.db2.gz JVCBTBSOKYQBFW-UHFFFAOYSA-N 0 0 425.282 5.408 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025558728 557214397 /nfs/dbraw/zinc/21/43/97/557214397.db2.gz VGXKXBKMGRGZBW-KNQAVFIVSA-N 0 0 445.733 6.595 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025558733 557214457 /nfs/dbraw/zinc/21/44/57/557214457.db2.gz VGXKXBKMGRGZBW-DENIHFKCSA-N 0 0 445.733 6.595 50 10 IKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572778 557215123 /nfs/dbraw/zinc/21/51/23/557215123.db2.gz IEFJFGHRKIGBDM-UGKGYDQZSA-N 0 0 439.284 5.536 50 10 IKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000026964672 557252850 /nfs/dbraw/zinc/25/28/50/557252850.db2.gz OOFSRGWYCPKJPE-ITYLOYPMSA-N 0 0 448.526 5.744 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCc1ccccc1 ZINC000026965590 557252883 /nfs/dbraw/zinc/25/28/83/557252883.db2.gz CSHJWYHMQNLCFZ-ZHZULCJRSA-N 0 0 436.514 5.299 50 10 IKCARN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000101113840 557256180 /nfs/dbraw/zinc/25/61/80/557256180.db2.gz PIHJZCAHTZZOIQ-KGENOOAVSA-N 0 0 447.922 5.777 50 10 IKCARN O=C1/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000027061412 557256336 /nfs/dbraw/zinc/25/63/36/557256336.db2.gz AEGRPEZBLVBOQF-HXJKNVDSSA-N 0 0 435.570 5.127 50 10 IKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl ZINC000101114194 557256647 /nfs/dbraw/zinc/25/66/47/557256647.db2.gz CAUWCQDDWTUZEM-XSFVSMFZSA-N 0 0 425.916 5.324 50 10 IKCARN CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1 ZINC000008386237 557269777 /nfs/dbraw/zinc/26/97/77/557269777.db2.gz WJZWFLWTNIKLQB-UHFFFAOYSA-N 0 0 447.534 6.935 50 10 IKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]c2ccc(Br)cc2s1 ZINC000101346764 557279858 /nfs/dbraw/zinc/27/98/58/557279858.db2.gz BDVOKYXIWMMIFH-ZROIWOOFSA-N 0 0 447.745 5.431 50 10 IKCARN Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000033399203 557327195 /nfs/dbraw/zinc/32/71/95/557327195.db2.gz CLDABAKPKPXCRA-STZFKDTASA-N 0 0 437.521 5.130 50 10 IKCARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102489375 557331992 /nfs/dbraw/zinc/33/19/92/557331992.db2.gz AVJMDCFRAVPEOG-XMMPIXPASA-N 0 0 448.636 5.913 50 10 IKCARN COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c([N+](=O)[O-])c1 ZINC000033341736 557333845 /nfs/dbraw/zinc/33/38/45/557333845.db2.gz OFFJKKJFDLKNIU-YBFXNURJSA-N 0 0 437.839 5.323 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000033387949 557334451 /nfs/dbraw/zinc/33/44/51/557334451.db2.gz SCJDIQDLVBFAOJ-WQRHYEAKSA-N 0 0 448.953 6.042 50 10 IKCARN Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000013562253 557352959 /nfs/dbraw/zinc/35/29/59/557352959.db2.gz XHUJUZMMNHEFPO-TXPKVOOTSA-N 0 0 432.261 5.334 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000033932683 557379908 /nfs/dbraw/zinc/37/99/08/557379908.db2.gz WVOWNKLZEKWZQA-MFTVFGMVSA-N 0 0 449.555 5.433 50 10 IKCARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000102788952 557388122 /nfs/dbraw/zinc/38/81/22/557388122.db2.gz LMCNORUSFYPUTC-HHHXNRCGSA-N 0 0 445.607 6.735 50 10 IKCARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000102788951 557388189 /nfs/dbraw/zinc/38/81/89/557388189.db2.gz LMCNORUSFYPUTC-MHZLTWQESA-N 0 0 445.607 6.735 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000033424116 557396361 /nfs/dbraw/zinc/39/63/61/557396361.db2.gz CCWRMQPQVYNIBS-NVNXTCNLSA-N 0 0 440.771 5.517 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000100317641 557399287 /nfs/dbraw/zinc/39/92/87/557399287.db2.gz ZAIUFZUAZXBEOP-DEDYPNTBSA-N 0 0 449.919 6.206 50 10 IKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000100321689 557399661 /nfs/dbraw/zinc/39/96/61/557399661.db2.gz KCQIRYIUXNGUOU-OQKWZONESA-N 0 0 430.935 6.505 50 10 IKCARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000102968050 557414351 /nfs/dbraw/zinc/41/43/51/557414351.db2.gz MFCWHXAXSHFDJA-OEAKJJBVSA-N 0 0 440.587 6.947 50 10 IKCARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000033607296 557420276 /nfs/dbraw/zinc/42/02/76/557420276.db2.gz KLEGHMQRXNNOKF-XDHOZWIPSA-N 0 0 438.915 5.353 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000105971675 557512449 /nfs/dbraw/zinc/51/24/49/557512449.db2.gz KMMVCZHPQBONOG-MTDXEUNCSA-N 0 0 441.534 6.649 50 10 IKCARN O=C1/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1c1ccccc1 ZINC000108967824 557544715 /nfs/dbraw/zinc/54/47/15/557544715.db2.gz LNLRBKVBBMEXNB-PDGQHHTCSA-N 0 0 447.459 6.251 50 10 IKCARN O=C1N=C(NCc2ccccc2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000000851128 557830767 /nfs/dbraw/zinc/83/07/67/557830767.db2.gz FYANTEODNSPILX-UNOMPAQXSA-N 0 0 439.334 5.469 50 10 IKCARN COc1ccccc1[C@@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCOC(C)(C)C1 ZINC000000856827 557831398 /nfs/dbraw/zinc/83/13/98/557831398.db2.gz BCIULTFOTMBIAA-MHZLTWQESA-N 0 0 438.612 5.027 50 10 biogenic IKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 ZINC000229960259 557834215 /nfs/dbraw/zinc/83/42/15/557834215.db2.gz VUGPWWVPSRHYQI-REJRFELZSA-N 0 0 449.348 6.252 50 10 IKCARN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O ZINC000002199949 562926280 /nfs/dbraw/zinc/92/62/80/562926280.db2.gz WNYYRVZLSZMJQM-OKILXGFUSA-N 0 0 435.549 5.120 50 10 IKCARN O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1ccc(Cl)cc1 ZINC000002485286 562928152 /nfs/dbraw/zinc/92/81/52/562928152.db2.gz HRMJMXZVQQTHDA-UHFFFAOYSA-N 0 0 425.893 5.372 50 10 IKCARN CCOc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CC[C@@H](C)C3)cc1 ZINC000002909560 562930448 /nfs/dbraw/zinc/93/04/48/562930448.db2.gz TWYFWPZASGEDOV-OAHLLOKOSA-N 0 0 426.607 6.198 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CCCC2 ZINC000002909504 562930503 /nfs/dbraw/zinc/93/05/03/562930503.db2.gz FMJYWZCQYQVDND-UHFFFAOYSA-N 0 0 432.998 6.215 50 10 IKCARN O=C1C(=Cc2ccc(F)cc2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl ZINC000003192030 562932669 /nfs/dbraw/zinc/93/26/69/562932669.db2.gz FZWVUPGNOPOYCF-XGICHPGQSA-N 0 0 433.839 5.121 50 10 aggregator IKCARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000006804326 562948355 /nfs/dbraw/zinc/94/83/55/562948355.db2.gz IVWAKVKHUXEHAS-SFHVURJKSA-N 0 0 426.944 5.304 50 10 IKCARN Cc1oc(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)nc1COc1ccccc1 ZINC000008592308 562952276 /nfs/dbraw/zinc/95/22/76/562952276.db2.gz DUIKGKNXEIMYMS-UHFFFAOYSA-N 0 0 441.531 5.225 50 10 IKCARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000008613822 562959465 /nfs/dbraw/zinc/95/94/65/562959465.db2.gz IHYMYVXTZIQQFX-FQEVSTJZSA-N 0 0 440.971 5.590 50 10 IKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1ccc(Br)cc1 ZINC000009075555 562966924 /nfs/dbraw/zinc/96/69/24/562966924.db2.gz UTZOOJMZMLLULY-AWEZNQCLSA-N 0 0 442.353 5.611 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000019792863 563022983 /nfs/dbraw/zinc/02/29/83/563022983.db2.gz QLKKWKAXICFEPN-UHFFFAOYSA-N 0 0 447.453 5.850 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053151162 563141021 /nfs/dbraw/zinc/14/10/21/563141021.db2.gz XKLPSSJPCWPKBB-IRLDBZIGSA-N 0 0 431.750 6.575 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053151161 563141030 /nfs/dbraw/zinc/14/10/30/563141030.db2.gz XKLPSSJPCWPKBB-RBBKRZOGSA-N 0 0 431.750 6.575 50 10 IKCARN O=C1/C(=C\c2cccs2)C(=O)N(c2cccc3ccccc32)C(=S)N1c1ccccc1 ZINC000210974563 568635248 /nfs/dbraw/zinc/63/52/48/568635248.db2.gz GHRZRZGKGMCLGD-LTGZKZEYSA-N 0 0 440.549 5.650 50 10 IKCARN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC ZINC000001140315 568660944 /nfs/dbraw/zinc/66/09/44/568660944.db2.gz PNBGPVUYAZYKNM-DHDCSXOGSA-N 0 0 444.416 5.104 50 10 IKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001158706 568664013 /nfs/dbraw/zinc/66/40/13/568664013.db2.gz MYPJYLBRODHDEE-WQRHYEAKSA-N 0 0 442.905 5.914 50 10 IKCARN Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)ccc1OCC(C)C ZINC000001159640 568664152 /nfs/dbraw/zinc/66/41/52/568664152.db2.gz ROVNKHKMAMTMCL-MTJSOVHGSA-N 0 0 449.601 5.371 50 10 IKCARN N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000001166709 568664847 /nfs/dbraw/zinc/66/48/47/568664847.db2.gz UYBFCCKACDPGLH-WMUNWQNWSA-N 0 0 442.456 5.159 50 10 IKCARN O=C(COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@H]32)cc1)N1CCCCC1 ZINC000015228621 568735058 /nfs/dbraw/zinc/73/50/58/568735058.db2.gz UINQBVNBGHZANO-SKVJQKLOSA-N 0 0 438.571 6.058 50 10 IKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000001218050 568740880 /nfs/dbraw/zinc/74/08/80/568740880.db2.gz RKCYGWNRWPIPJQ-YBEGLDIGSA-N 0 0 437.373 5.223 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000001220685 568741792 /nfs/dbraw/zinc/74/17/92/568741792.db2.gz BOBVICOIQHUTGD-SXGWCWSVSA-N 0 0 440.373 5.412 50 10 IKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000003768983 568754457 /nfs/dbraw/zinc/75/44/57/568754457.db2.gz WFPFGPKGJCNDEF-YBFXNURJSA-N 0 0 429.925 6.047 50 10 IKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O ZINC000003769527 568754609 /nfs/dbraw/zinc/75/46/09/568754609.db2.gz HAMBLCWZLMRUPZ-UDWIEESQSA-N 0 0 427.547 5.033 50 10 IKCARN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc2ccccc2c1 ZINC000001263838 568775355 /nfs/dbraw/zinc/77/53/55/568775355.db2.gz ZATIZKLAJSTJRB-XZHCKZKCSA-N 0 0 430.554 5.236 50 10 IKCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)cc(Cl)c1 ZINC000001263880 568775432 /nfs/dbraw/zinc/77/54/32/568775432.db2.gz KEYXZSPWIRUVKA-XNTDXEJSSA-N 0 0 441.361 5.207 50 10 IKCARN Cc1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001276418 568775670 /nfs/dbraw/zinc/77/56/70/568775670.db2.gz AVIBXWZPBFDVDN-KQWNVCNZSA-N 0 0 447.604 5.331 50 10 IKCARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)c1cc(OC)ccc1OC ZINC000001318371 568779491 /nfs/dbraw/zinc/77/94/91/568779491.db2.gz YZVQXCDIBMQGOP-UHFFFAOYSA-N 0 0 425.525 5.317 50 10 biogenic IKCARN CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c1 ZINC000032099376 568780682 /nfs/dbraw/zinc/78/06/82/568780682.db2.gz IGSYVZRKNZDINS-BKUYFWCQSA-N 0 0 438.405 5.974 50 10 IKCARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000004132901 568781288 /nfs/dbraw/zinc/78/12/88/568781288.db2.gz QTFBGSKBYZNYHK-BTDLBPIBSA-N 0 0 435.387 5.221 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 ZINC000001394560 568785588 /nfs/dbraw/zinc/78/55/88/568785588.db2.gz RIMVPMQBSBGFLR-UHFFFAOYSA-N 0 0 439.371 6.839 50 10 IKCARN CC1=NN(c2cc(Cl)ccc2[N+](=O)[O-])C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000059922955 568790533 /nfs/dbraw/zinc/79/05/33/568790533.db2.gz WBOCPEYOQZCXKF-BKUYFWCQSA-N 0 0 447.878 5.633 50 10 IKCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(C)cc3)C2=O)SC1=S ZINC000016729380 568792273 /nfs/dbraw/zinc/79/22/73/568792273.db2.gz GAMJZRWEKGMJHO-MRCUWXFGSA-N 0 0 436.602 5.303 50 10 IKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000085382197 568816384 /nfs/dbraw/zinc/81/63/84/568816384.db2.gz YRCNNJNWLBMISR-PCLIKHOPSA-N 0 0 439.515 5.127 50 10 IKCARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1 ZINC000006088757 568823113 /nfs/dbraw/zinc/82/31/13/568823113.db2.gz ODRSFGKEBWMYOS-RQTOMXEWSA-N 0 0 432.545 5.323 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=N)S1 ZINC000015837957 568844401 /nfs/dbraw/zinc/84/44/01/568844401.db2.gz TXZKUAUQKGWYPJ-OQYABBNDSA-N 0 0 448.548 5.084 50 10 IKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(OC)c(Cl)c4)o3)C2=N)S1 ZINC000015855905 568845182 /nfs/dbraw/zinc/84/51/82/568845182.db2.gz ANUDJSDRNWKXRA-HCQBZFMKSA-N 0 0 442.928 5.418 50 10 IKCARN COc1ccccc1-c1c(=O)c2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc1C(F)(F)F ZINC000006162688 568849116 /nfs/dbraw/zinc/84/91/16/568849116.db2.gz VSVRCAWGDWSIPT-AWEZNQCLSA-N 0 0 447.453 5.425 50 10 IKCARN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362954 568866451 /nfs/dbraw/zinc/86/64/51/568866451.db2.gz UJKSUESWRWBMQY-GMAHTHKFSA-N 0 0 437.337 5.386 50 10 IKCARN COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000053363280 568866563 /nfs/dbraw/zinc/86/65/63/568866563.db2.gz BCQGOQYNAFJDPU-NTKDMRAZSA-N 0 0 436.895 5.005 50 10 IKCARN CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363183 568866567 /nfs/dbraw/zinc/86/65/67/568866567.db2.gz HCKVEGAHKPBXTO-VWNXMTODSA-N 0 0 425.359 6.484 50 10 IKCARN COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363334 568866631 /nfs/dbraw/zinc/86/66/31/568866631.db2.gz NFHPFWJZHOBQBV-FYYLOGMGSA-N 0 0 427.331 5.930 50 10 IKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363470 568866635 /nfs/dbraw/zinc/86/66/35/568866635.db2.gz UBRBQWJWTXYKPE-RBBKRZOGSA-N 0 0 441.756 6.031 50 10 IKCARN COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363344 568866682 /nfs/dbraw/zinc/86/66/82/568866682.db2.gz KSGPNRNCZNNXLW-GGAORHGYSA-N 0 0 437.337 5.386 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3OCC)N2)c1O ZINC000053364420 568866819 /nfs/dbraw/zinc/86/68/19/568866819.db2.gz TVJMNNXMASTRCB-HOFKKMOUSA-N 0 0 446.547 5.421 50 10 IKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(OC)c3)N2)c1O ZINC000053363851 568866862 /nfs/dbraw/zinc/86/68/62/568866862.db2.gz YTVVJGSGJLUIPS-OZXSUGGESA-N 0 0 432.520 5.031 50 10 IKCARN COC(=O)c1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Cl)ccc3O)N2)cc1 ZINC000053364658 568866879 /nfs/dbraw/zinc/86/68/79/568866879.db2.gz MNMDESKCUPUODS-VWNXMTODSA-N 0 0 434.923 5.363 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053363606 568866899 /nfs/dbraw/zinc/86/68/99/568866899.db2.gz CIDRZNDAZISVBJ-OFNKIYASSA-N 0 0 427.331 5.930 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364997 568866982 /nfs/dbraw/zinc/86/69/82/568866982.db2.gz ZMWXTZUJNUJDKV-JTHBVZDNSA-N 0 0 439.328 5.825 50 10 IKCARN CCc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364741 568867049 /nfs/dbraw/zinc/86/70/49/568867049.db2.gz HNLRLWZOJZIQBX-LADGPHEKSA-N 0 0 425.359 6.484 50 10 IKCARN Cc1ccc(C2=N[C@H](c3ccccc3C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365034 568867060 /nfs/dbraw/zinc/86/70/60/568867060.db2.gz PKJRZZKFEPOWLG-UPVQGACJSA-N 0 0 435.365 5.994 50 10 IKCARN COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364869 568867093 /nfs/dbraw/zinc/86/70/93/568867093.db2.gz OACJIYZHCYNRCN-GMAHTHKFSA-N 0 0 427.331 5.930 50 10 IKCARN Cc1ccc(C2=N[C@@H](c3ccccc3C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053365030 568867109 /nfs/dbraw/zinc/86/71/09/568867109.db2.gz PKJRZZKFEPOWLG-LADGPHEKSA-N 0 0 435.365 5.994 50 10 IKCARN O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12 ZINC000016050864 568869002 /nfs/dbraw/zinc/86/90/02/568869002.db2.gz PFMBLXHALVVYAK-SRZZPIQSSA-N 0 0 447.307 6.084 50 10 IKCARN COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OC(C)C ZINC000016115940 568870921 /nfs/dbraw/zinc/87/09/21/568870921.db2.gz OQLKUKFOILDKOQ-ZDLGFXPLSA-N 0 0 429.314 5.051 50 10 IKCARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000016195678 568872448 /nfs/dbraw/zinc/87/24/48/568872448.db2.gz DMBKIXDEHSKJIA-ODLFYWEKSA-N 0 0 441.961 5.570 50 10 IKCARN Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@H]42)c1Cl ZINC000017264718 568875786 /nfs/dbraw/zinc/87/57/86/568875786.db2.gz OOLWDDHOESJTDM-QXGCJCELSA-N 0 0 444.405 8.041 50 10 IKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C ZINC000226897595 568885501 /nfs/dbraw/zinc/88/55/01/568885501.db2.gz SHAOQNRSKRYIJH-JQYIIUTOSA-N 0 0 448.563 6.070 50 10 IKCARN O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000006446050 568907407 /nfs/dbraw/zinc/90/74/07/568907407.db2.gz RUGXSZXNFBPZKD-NFOKUVPFSA-N 0 0 440.528 6.214 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2CCCC(C)(C)C2)c1[O-] ZINC000001794013 568908212 /nfs/dbraw/zinc/90/82/12/568908212.db2.gz KPEBBTIKYOWPML-UHFFFAOYSA-N 0 0 448.588 5.960 50 10 IKCARN O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(O)c1 ZINC000001800067 568908566 /nfs/dbraw/zinc/90/85/66/568908566.db2.gz CTHULZQHYLUHGJ-XMHGGMMESA-N 0 0 426.563 5.428 50 10 IKCARN COc1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000059267091 568909451 /nfs/dbraw/zinc/90/94/51/568909451.db2.gz NUDPKGCOKVZIDG-VBHSOAQHSA-N 0 0 431.286 5.201 50 10 IKCARN CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000025578325 568909853 /nfs/dbraw/zinc/90/98/53/568909853.db2.gz DDFODXNBWVAKQG-LADGPHEKSA-N 0 0 438.358 6.302 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577448 568909888 /nfs/dbraw/zinc/90/98/88/568909888.db2.gz PWGZGULYMMNJJP-OZXSUGGESA-N 0 0 426.903 6.441 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577465 568909892 /nfs/dbraw/zinc/90/98/92/568909892.db2.gz PWGZGULYMMNJJP-ZEQKJWHPSA-N 0 0 426.903 6.441 50 10 IKCARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000001831921 568916060 /nfs/dbraw/zinc/91/60/60/568916060.db2.gz XSVWZDTVEWIFKJ-LJAQVGFWSA-N 0 0 444.619 6.111 50 10 biogenic IKCARN O=C1/C(=C/c2ccc(-c3cccc4ccccc43)o2)SC(=S)N1Cc1ccccc1 ZINC000001908596 568919500 /nfs/dbraw/zinc/91/95/00/568919500.db2.gz YXUNKSIFACTDGB-HAHDFKILSA-N 0 0 427.550 6.501 50 10 IKCARN O=c1oc2c(ccc([O-])c2C[NH+](Cc2ccccc2)Cc2ccccc2)c2c1CCCC2 ZINC000054219859 568926975 /nfs/dbraw/zinc/92/69/75/568926975.db2.gz DYIRXYJSZROQEG-UHFFFAOYSA-N 0 0 425.528 5.580 50 10 IKCARN Cc1ccc(Oc2cc(Oc3ccc(C)cc3)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000002025204 568931394 /nfs/dbraw/zinc/93/13/94/568931394.db2.gz ZRHUOMDTEOJSGB-UHFFFAOYSA-N 0 0 433.463 7.241 50 10 IKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S ZINC000027025908 568939506 /nfs/dbraw/zinc/93/95/06/568939506.db2.gz GEHPOLGVKBUCGY-STZFKDTASA-N 0 0 447.629 6.076 50 10 IKCARN CC(C)OCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1 ZINC000006782111 568985242 /nfs/dbraw/zinc/98/52/42/568985242.db2.gz JDYRWDDWFCSXTC-NRFANRHFSA-N 0 0 430.592 5.814 50 10 IKCARN CC1CCC(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CC[C@H](C)C4)cc2)CC1 ZINC000006782093 568985294 /nfs/dbraw/zinc/98/52/94/568985294.db2.gz OPUHVIRCDDHODI-JQJXBVGUSA-N 0 0 426.604 6.578 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000065080288 569101330 /nfs/dbraw/zinc/10/13/30/569101330.db2.gz PCMAFFISGVLIAI-IBGZPJMESA-N 0 0 439.515 5.499 50 10 IKCARN CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000065080307 569101343 /nfs/dbraw/zinc/10/13/43/569101343.db2.gz AOUJVIGJGVWDJM-UHFFFAOYSA-N 0 0 443.478 5.077 50 10 IKCARN O=C1C(=CNc2cccc(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000006974451 569114880 /nfs/dbraw/zinc/11/48/80/569114880.db2.gz QXDCHVPLAQTAPO-UHFFFAOYSA-N 0 0 429.948 5.092 50 10 IKCARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000007026783 569118750 /nfs/dbraw/zinc/11/87/50/569118750.db2.gz REUYYMJEEGXLMG-POCHDABASA-N 0 0 429.532 5.394 50 10 IKCARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000007026781 569118793 /nfs/dbraw/zinc/11/87/93/569118793.db2.gz REUYYMJEEGXLMG-FQQGMQMYSA-N 0 0 429.532 5.394 50 10 IKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccccc2)SC1=S ZINC000002828353 569133716 /nfs/dbraw/zinc/13/37/16/569133716.db2.gz DNIAAELSGMGURC-RGEXLXHISA-N 0 0 433.982 5.409 50 10 IKCARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N(C)Cc3ccccc3O)cc12 ZINC000065625329 569140409 /nfs/dbraw/zinc/14/04/09/569140409.db2.gz BFOVVJSOGDYLAK-UHFFFAOYSA-N 0 0 445.466 5.392 50 10 IKCARN CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 ZINC000013302752 569154870 /nfs/dbraw/zinc/15/48/70/569154870.db2.gz XAIUYGMTCFRGEH-JWGURIENSA-N 0 0 446.348 5.350 50 10 IKCARN O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000013302737 569154879 /nfs/dbraw/zinc/15/48/79/569154879.db2.gz SMQNSIZHFWMJTC-ZHZULCJRSA-N 0 0 448.276 5.192 50 10 IKCARN CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S ZINC000013757132 569156891 /nfs/dbraw/zinc/15/68/91/569156891.db2.gz ONZWGFGYRTWEHO-BILXGNRESA-N 0 0 434.630 6.119 50 10 IKCARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000016699684 569159855 /nfs/dbraw/zinc/15/98/55/569159855.db2.gz NNISLMMBLACSTE-PXLXIMEGSA-N 0 0 439.602 5.808 50 10 IKCARN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000089677974 569161270 /nfs/dbraw/zinc/16/12/70/569161270.db2.gz VNTGDQIZCUIUDE-RUZDIDTESA-N 0 0 436.515 5.251 50 10 IKCARN Cc1c(/C=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc2n1Cc1ccccc1 ZINC000016850763 569164869 /nfs/dbraw/zinc/16/48/69/569164869.db2.gz JEHPEZKRTYNRCN-WUKNDPDISA-N 0 0 449.554 5.261 50 10 IKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C1CCCC1 ZINC000002533013 569180880 /nfs/dbraw/zinc/18/08/80/569180880.db2.gz IDMLPKPFEGXDPL-STZFKDTASA-N 0 0 449.576 5.822 50 10 IKCARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(OCc3ccccc3)cc1)CO2 ZINC000002115820 569182423 /nfs/dbraw/zinc/18/24/23/569182423.db2.gz BEFPPMCWZLMUOP-UHFFFAOYSA-N 0 0 439.511 5.526 50 10 biogenic IKCARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3 ZINC000002120734 569183467 /nfs/dbraw/zinc/18/34/67/569183467.db2.gz OJOTVOFYXCBYGL-UHFFFAOYSA-N 0 0 441.527 5.989 50 10 biogenic IKCARN CCCCOc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002158613 569187734 /nfs/dbraw/zinc/18/77/34/569187734.db2.gz HCXASTIFXLOUQQ-UHFFFAOYSA-N 0 0 427.500 5.995 50 10 biogenic IKCARN Cc1ccccc1Nc1cc(N(C)Cc2ccccc2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002198646 569191467 /nfs/dbraw/zinc/19/14/67/569191467.db2.gz IIENSPLNLZVMRZ-UHFFFAOYSA-N 0 0 445.522 6.728 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@H+]2CCCC[C@H]2CC)c1[O-] ZINC000002201168 569192368 /nfs/dbraw/zinc/19/23/68/569192368.db2.gz VCRHLVZKHTUHEI-QGZVFWFLSA-N 0 0 448.588 6.102 50 10 IKCARN CCc1nn2c3ccccc3n(C)c2c1N=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000252596200 569193208 /nfs/dbraw/zinc/19/32/08/569193208.db2.gz CHDNSWYEQDBNQZ-UHFFFAOYSA-N 0 0 433.519 6.202 50 10 IKCARN CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)O1 ZINC000002210515 569201108 /nfs/dbraw/zinc/20/11/08/569201108.db2.gz MLOLUEVXNUNCRW-UHFFFAOYSA-N 0 0 433.298 5.407 50 10 IKCARN Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000037613797 569203049 /nfs/dbraw/zinc/20/30/49/569203049.db2.gz YVIFCSCQCFPNQE-KHVXQDHOSA-N 0 0 444.600 6.239 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000002216321 569203691 /nfs/dbraw/zinc/20/36/91/569203691.db2.gz KTOXWMUPMZQOEM-HYTQYMIGSA-N 0 0 444.578 6.272 50 10 IKCARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000002234340 569211269 /nfs/dbraw/zinc/21/12/69/569211269.db2.gz OVMTYXTUUIVOPG-NJHZRGNWSA-N 0 0 437.524 5.569 50 10 IKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3sccc3C)sc3c2CCCC3)c1 ZINC000002909405 569212872 /nfs/dbraw/zinc/21/28/72/569212872.db2.gz LJICJJNTXJHZBQ-UHFFFAOYSA-N 0 0 442.606 5.878 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1 ZINC000027499092 569216280 /nfs/dbraw/zinc/21/62/80/569216280.db2.gz PLAGOBUACVXKCJ-WOJGMQOQSA-N 0 0 442.905 5.914 50 10 IKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000002279136 569217975 /nfs/dbraw/zinc/21/79/75/569217975.db2.gz ZLGKFHWQJRABTK-STZFKDTASA-N 0 0 449.601 5.004 50 10 IKCARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1OC ZINC000027521613 569218197 /nfs/dbraw/zinc/21/81/97/569218197.db2.gz FYCMGHTWLSVGBX-STZFKDTASA-N 0 0 432.907 5.500 50 10 IKCARN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)c1 ZINC000027521684 569218228 /nfs/dbraw/zinc/21/82/28/569218228.db2.gz IUFYNKOKPZSTGZ-MTJSOVHGSA-N 0 0 430.891 5.520 50 10 IKCARN O=C1/C(=C/c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000027520823 569218263 /nfs/dbraw/zinc/21/82/63/569218263.db2.gz MCJWKFPFLUPCDD-MOSHPQCFSA-N 0 0 439.259 5.562 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)N2c2ccc(Cl)c(C)c2)cc1 ZINC000027521185 569218278 /nfs/dbraw/zinc/21/82/78/569218278.db2.gz LDNOIYWNOBOGSX-ITYLOYPMSA-N 0 0 442.990 7.134 50 10 IKCARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000027521762 569218760 /nfs/dbraw/zinc/21/87/60/569218760.db2.gz VIGVZOVNUMRRPM-ULJHMMPZSA-N 0 0 432.926 6.656 50 10 IKCARN Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N=C2c2cccc(Cl)c2)c(C)c1 ZINC000027522275 569250154 /nfs/dbraw/zinc/25/01/54/569250154.db2.gz KAFZPAZJYHCSQA-BKUYFWCQSA-N 0 0 431.879 5.700 50 10 IKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 ZINC000002287174 569264032 /nfs/dbraw/zinc/26/40/32/569264032.db2.gz UXLCMHBQTNGESC-QILGALRJSA-N 0 0 436.455 5.045 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C1CCCCC1 ZINC000002287292 569264041 /nfs/dbraw/zinc/26/40/41/569264041.db2.gz XCDIOPMBNVFORS-WOJGMQOQSA-N 0 0 438.401 6.787 50 10 IKCARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000248022801 569270372 /nfs/dbraw/zinc/27/03/72/569270372.db2.gz GACKBCGBQGSCSV-RSXGOPAZSA-N 0 0 447.966 6.047 50 10 IKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000002304745 569271739 /nfs/dbraw/zinc/27/17/39/569271739.db2.gz UPZJUEQHRNDJAY-STZFKDTASA-N 0 0 449.601 5.468 50 10 IKCARN Cc1c(/C=C2/C(=N)N3C=CSC3=NC2=O)c2cc(C)ccc2n1Cc1ccc(F)cc1 ZINC000027572703 569273642 /nfs/dbraw/zinc/27/36/42/569273642.db2.gz QKVISFWFQBMCSR-JYHUHERQSA-N 0 0 430.508 5.222 50 10 IKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000002332569 569274688 /nfs/dbraw/zinc/27/46/88/569274688.db2.gz JDXZMWHONBNVRE-HYTQYMIGSA-N 0 0 434.026 7.018 50 10 IKCARN Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] ZINC000257370772 569281030 /nfs/dbraw/zinc/28/10/30/569281030.db2.gz NAULBUWJGXCSOS-DNRQZRRGSA-N 0 0 443.478 6.121 50 10 IKCARN Cc1cccc(Nc2cc(N(C)Cc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000002355932 569286035 /nfs/dbraw/zinc/28/60/35/569286035.db2.gz HOXBISWNQLHWBU-UHFFFAOYSA-N 0 0 445.522 6.728 50 10 IKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 ZINC000002363503 569287844 /nfs/dbraw/zinc/28/78/44/569287844.db2.gz MBMBIZVDXIHPIS-BKUYFWCQSA-N 0 0 449.601 5.466 50 10 IKCARN CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)O1 ZINC000002367195 569288548 /nfs/dbraw/zinc/28/85/48/569288548.db2.gz DAAXFDGUYUWYMJ-UHFFFAOYSA-N 0 0 439.261 5.065 50 10 IKCARN O=C1/C(=C\c2ccccc2SC2CCCCC2)SC(=S)N1Cc1ccccc1 ZINC000008733338 569290196 /nfs/dbraw/zinc/29/01/96/569290196.db2.gz PPDRNXFUFYJFLV-RCCKNPSSSA-N 0 0 425.644 6.513 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008888386 569292096 /nfs/dbraw/zinc/29/20/96/569292096.db2.gz JXVJYDSDRNPPJU-UHFFFAOYSA-N 0 0 438.478 6.551 50 10 IKCARN COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002381786 569292670 /nfs/dbraw/zinc/29/26/70/569292670.db2.gz RTLXZCYIKNAANI-JXAWBTAJSA-N 0 0 446.619 5.157 50 10 IKCARN COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000002381790 569292674 /nfs/dbraw/zinc/29/26/74/569292674.db2.gz YAYAYCIALINEPN-JXAWBTAJSA-N 0 0 446.619 5.157 50 10 IKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C)oc21 ZINC000002404611 569299989 /nfs/dbraw/zinc/29/99/89/569299989.db2.gz RIPNCCIRSCZKNR-UHFFFAOYSA-N 0 0 432.314 5.204 50 10 IKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)coc21 ZINC000002411950 569301073 /nfs/dbraw/zinc/30/10/73/569301073.db2.gz AUOVCKQFQWRSAA-AWEZNQCLSA-N 0 0 444.325 5.428 50 10 IKCARN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000011869508 569303112 /nfs/dbraw/zinc/30/31/12/569303112.db2.gz NYPMOHTYSGSIJQ-MRXNPFEDSA-N 0 0 445.563 5.155 50 10 IKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000012955330 569305200 /nfs/dbraw/zinc/30/52/00/569305200.db2.gz WQZPQBHSWAOBAP-UHFFFAOYSA-N 0 0 446.579 7.199 50 10 IKCARN O=C1N=C(NOCc2c(Cl)cccc2Cl)SC1=Cc1ccccc1C(F)(F)F ZINC000012958940 569305280 /nfs/dbraw/zinc/30/52/80/569305280.db2.gz RZCOXPYDUOGJSS-NVNXTCNLSA-N 0 0 447.265 5.704 50 10 IKCARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(C)c(C)c4)c3C)o2)cc1 ZINC000013062653 569308673 /nfs/dbraw/zinc/30/86/73/569308673.db2.gz IVSGNEGOMREZFH-UHFFFAOYSA-N 0 0 447.560 5.745 50 10 IKCARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C ZINC000013141974 569311819 /nfs/dbraw/zinc/31/18/19/569311819.db2.gz QIBIDYKLZCEQEZ-UHFFFAOYSA-N 0 0 426.516 5.553 50 10 IKCARN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccccc1 ZINC000013304525 569312867 /nfs/dbraw/zinc/31/28/67/569312867.db2.gz ZFWKJNOJPFOTCQ-LDADJPATSA-N 0 0 442.359 6.115 50 10 IKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000013940445 569321850 /nfs/dbraw/zinc/32/18/50/569321850.db2.gz DJRXFNUMSGYNEN-LDADJPATSA-N 0 0 441.365 5.512 50 10 IKCARN Cc1ccc2c(c1)nc(Nc1cc(C)ccc1C(=O)c1ccccc1)c(C)c2-c1ccccc1 ZINC000079047073 569323064 /nfs/dbraw/zinc/32/30/64/569323064.db2.gz IYUKAJOLXHUIMG-UHFFFAOYSA-N 0 0 442.562 7.802 50 10 IKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793076 569329404 /nfs/dbraw/zinc/32/94/04/569329404.db2.gz ZWRRQCIOXZGFSS-HNNXBMFYSA-N 0 0 447.453 5.850 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793086 569329407 /nfs/dbraw/zinc/32/94/07/569329407.db2.gz GSIMDTOMEUREDL-HNNXBMFYSA-N 0 0 447.453 5.850 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1C ZINC000019793917 569329438 /nfs/dbraw/zinc/32/94/38/569329438.db2.gz VVKPVCCSXUXPJL-UHFFFAOYSA-N 0 0 447.453 5.912 50 10 IKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793085 569329454 /nfs/dbraw/zinc/32/94/54/569329454.db2.gz GSIMDTOMEUREDL-OAHLLOKOSA-N 0 0 447.453 5.850 50 10 IKCARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCCC4)c3-c3ccc(O)c(O)c3)c2ccc1O ZINC000079473785 569330617 /nfs/dbraw/zinc/33/06/17/569330617.db2.gz QIUBFPLHLRCBGB-UHFFFAOYSA-N 0 0 445.475 5.634 50 10 IKCARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070707 569333343 /nfs/dbraw/zinc/33/33/43/569333343.db2.gz GGBCREULTAGHTC-NTKDMRAZSA-N 0 0 436.895 5.305 50 10 IKCARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)c1OC ZINC000020070798 569333440 /nfs/dbraw/zinc/33/34/40/569333440.db2.gz WKAVKZMULJNSGK-DVECYGJZSA-N 0 0 436.895 5.305 50 10 IKCARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)c1OC ZINC000020070718 569333447 /nfs/dbraw/zinc/33/34/47/569333447.db2.gz IGIKCDMWPFJRJZ-NTKDMRAZSA-N 0 0 436.895 5.305 50 10 IKCARN CCOc1ccccc1NCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000020072911 569333687 /nfs/dbraw/zinc/33/36/87/569333687.db2.gz FACUIHJOAWERAM-LICLKQGHSA-N 0 0 439.389 5.663 50 10 IKCARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1OC ZINC000020071283 569333705 /nfs/dbraw/zinc/33/37/05/569333705.db2.gz UZSFQVXPKOLXMM-LVXARBLLSA-N 0 0 446.503 5.050 50 10 IKCARN CCOc1ccc(-n2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000020210802 569356126 /nfs/dbraw/zinc/35/61/26/569356126.db2.gz LRWINWBIUGIDKE-VHDUERLVSA-N 0 0 440.528 5.180 50 10 IKCARN N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000020324630 569360366 /nfs/dbraw/zinc/36/03/66/569360366.db2.gz SEBJSCKJXUBJKT-HRXHUYTNSA-N 0 0 443.553 5.876 50 10 IKCARN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 ZINC000020324929 569360380 /nfs/dbraw/zinc/36/03/80/569360380.db2.gz MZVCUHRMZKNDMF-MOSHPQCFSA-N 0 0 437.611 6.595 50 10 IKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000020324808 569360420 /nfs/dbraw/zinc/36/04/20/569360420.db2.gz QKPRLYWQQBANNW-PDGQHHTCSA-N 0 0 427.547 6.117 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000080348114 569363239 /nfs/dbraw/zinc/36/32/39/569363239.db2.gz PLXBEHOHXDUDBO-CPWDNUMFSA-N 0 0 425.945 5.085 50 10 IKCARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(N(C)C)cc2)cc1C(F)(F)F ZINC000096203750 569386379 /nfs/dbraw/zinc/38/63/79/569386379.db2.gz CDPCBTBMWYDKSO-QFIPXVFZSA-N 0 0 427.470 5.127 50 10 IKCARN CN(C)c1ccc(C(=O)O/C(=C\c2nc3ccccc3s2)c2ccc(N(C)C)cc2)cc1 ZINC000096291712 569391096 /nfs/dbraw/zinc/39/10/96/569391096.db2.gz ZAXRJOYVPVPTRE-QJOMJCCJSA-N 0 0 443.572 5.783 50 10 IKCARN CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Cl)c([O-])c(C[NH+](C)C)c21 ZINC000096576616 569401464 /nfs/dbraw/zinc/40/14/64/569401464.db2.gz PVYWKLIGFSNZHB-UHFFFAOYSA-N 0 0 432.973 5.068 50 10 IKCARN O=C(Oc1c(Cl)c2nc3cc4ccccc4cc3nc2c2ccccc21)c1ccccc1 ZINC000096579723 569401600 /nfs/dbraw/zinc/40/16/00/569401600.db2.gz FIDPJUPGWPLKLW-UHFFFAOYSA-N 0 0 434.882 6.962 50 10 IKCARN CC1(C)Cc2c(cc(-c3cccc(Br)c3)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000002512754 569407047 /nfs/dbraw/zinc/40/70/47/569407047.db2.gz KWXMZUBMUPRURV-UHFFFAOYSA-N 0 0 428.757 6.715 50 10 IKCARN Cc1cc2c(n1-c1ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc1)CC(C)(C)CC2=O ZINC000002562109 569409485 /nfs/dbraw/zinc/40/94/85/569409485.db2.gz PGJSLLJHQPIQSW-UHFFFAOYSA-N 0 0 448.872 6.800 50 10 IKCARN Cc1cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c(C)n1-c1ccccc1 ZINC000002680300 569416723 /nfs/dbraw/zinc/41/67/23/569416723.db2.gz MSTNTSWGKDYUNQ-UHFFFAOYSA-N 0 0 447.629 6.261 50 10 IKCARN O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000002700567 569417281 /nfs/dbraw/zinc/41/72/81/569417281.db2.gz UZUUYCUMKDIUOT-LGMDPLHJSA-N 0 0 434.583 5.288 50 10 IKCARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)SC1=S ZINC000002822418 569423178 /nfs/dbraw/zinc/42/31/78/569423178.db2.gz OVFIYKNRYCDWSN-WQRHYEAKSA-N 0 0 448.407 5.558 50 10 IKCARN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000002818671 569423021 /nfs/dbraw/zinc/42/30/21/569423021.db2.gz YTHOPDXJCOGQIR-JAIQZWGSSA-N 0 0 448.009 5.785 50 10 IKCARN CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000002818008 569423058 /nfs/dbraw/zinc/42/30/58/569423058.db2.gz SZTXVDPMMIVKNV-FBLLAGFSSA-N 0 0 443.930 6.323 50 10 IKCARN COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1Br ZINC000002813781 569423061 /nfs/dbraw/zinc/42/30/61/569423061.db2.gz QKCSXZBFSRNHOW-WJDWOHSUSA-N 0 0 426.401 5.239 50 10 IKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCC3)c(OC)c1 ZINC000002909433 569424693 /nfs/dbraw/zinc/42/46/93/569424693.db2.gz CEFLVEUFRHNEGQ-UHFFFAOYSA-N 0 0 426.538 5.410 50 10 IKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccn2C)sc2c1CCCC2 ZINC000002909508 569424695 /nfs/dbraw/zinc/42/46/95/569424695.db2.gz UOLXHLIEINIMSD-UHFFFAOYSA-N 0 0 429.973 5.492 50 10 IKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1C ZINC000002929387 569425999 /nfs/dbraw/zinc/42/59/99/569425999.db2.gz BOVBSTBWCOSAJV-UHFFFAOYSA-N 0 0 442.490 6.021 50 10 IKCARN CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000002967071 569432994 /nfs/dbraw/zinc/43/29/94/569432994.db2.gz JRHXVNDHWRCULP-OCKHKDLRSA-N 0 0 447.412 6.218 50 10 IKCARN COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccccc1Cl ZINC000002971087 569433402 /nfs/dbraw/zinc/43/34/02/569433402.db2.gz RUIMAFKGSUXQON-UHFFFAOYSA-N 0 0 444.911 5.173 50 10 IKCARN C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1)c1ccccc1 ZINC000002983696 569434277 /nfs/dbraw/zinc/43/42/77/569434277.db2.gz VRNXTPOWSLOQDR-BGAMQZKWSA-N 0 0 444.438 5.008 50 10 IKCARN O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1F)Nc1ccccc1OC(F)F ZINC000003322104 569446005 /nfs/dbraw/zinc/44/60/05/569446005.db2.gz VIZXLBSICXWPBG-UHFFFAOYSA-N 0 0 448.828 5.362 50 10 IKCARN Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003338349 569446792 /nfs/dbraw/zinc/44/67/92/569446792.db2.gz OQMXPPBJUZNHDE-UHFFFAOYSA-N 0 0 433.838 5.389 50 10 IKCARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3cccs3)N2)c1O ZINC000058083302 569446891 /nfs/dbraw/zinc/44/68/91/569446891.db2.gz KXGWTCMRQLGIFB-LAUBAEHRSA-N 0 0 443.366 5.447 50 10 IKCARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3cccs3)N2)c1O ZINC000058083310 569446899 /nfs/dbraw/zinc/44/68/99/569446899.db2.gz KXGWTCMRQLGIFB-DYESRHJHSA-N 0 0 443.366 5.447 50 10 IKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccsc2)N1 ZINC000058083459 569446902 /nfs/dbraw/zinc/44/69/02/569446902.db2.gz BQIOANBRHPLXOB-ICSRJNTNSA-N 0 0 447.785 6.092 50 10 IKCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000003348954 569447239 /nfs/dbraw/zinc/44/72/39/569447239.db2.gz ACEFKPBUHPMOOF-UHFFFAOYSA-N 0 0 440.499 5.682 50 10 IKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000058136153 569448409 /nfs/dbraw/zinc/44/84/09/569448409.db2.gz KDBKOIIDRVUBRI-AUSIDOKSSA-N 0 0 441.314 5.650 50 10 IKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(Cl)cc1 ZINC000003504329 569452925 /nfs/dbraw/zinc/45/29/25/569452925.db2.gz HOSDWFCDUGYHDM-LBPRGKRZSA-N 0 0 442.894 5.258 50 10 IKCARN CCCN1CCCc2cc(CN(CCCOC)C(=S)Nc3ccccc3CC)ccc21 ZINC000003585491 569454434 /nfs/dbraw/zinc/45/44/34/569454434.db2.gz GSYAJLKOGPEVLG-UHFFFAOYSA-N 0 0 439.669 5.647 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(Cl)c3C)[C@H](C)CC)ccc21 ZINC000003585171 569454454 /nfs/dbraw/zinc/45/44/54/569454454.db2.gz AISIGSGFGXKHQY-GOSISDBHSA-N 0 0 444.088 6.809 50 10 IKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)[C@H](C)CC)ccc21 ZINC000003585136 569454471 /nfs/dbraw/zinc/45/44/71/569454471.db2.gz OGTPWWBCPVBIDZ-LJQANCHMSA-N 0 0 425.642 5.855 50 10 IKCARN CCCCCCOC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635768 569455509 /nfs/dbraw/zinc/45/55/09/569455509.db2.gz ORCDTCBUHHLMTQ-UHFFFAOYSA-N 0 0 425.484 5.605 50 10 IKCARN COc1ccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003665772 569455994 /nfs/dbraw/zinc/45/59/94/569455994.db2.gz ZJKUCYIESXRCQW-UHFFFAOYSA-N 0 0 439.515 6.172 50 10 IKCARN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CCCCC1 ZINC000003765767 569456367 /nfs/dbraw/zinc/45/63/67/569456367.db2.gz VMZNZMOSZRNIJN-KGENOOAVSA-N 0 0 444.021 6.453 50 10 IKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)cc1 ZINC000003999881 569457661 /nfs/dbraw/zinc/45/76/61/569457661.db2.gz LKOHGFCXPAZGDV-MYKRZTLLSA-N 0 0 434.624 5.360 50 10 biogenic IKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000004090320 569458831 /nfs/dbraw/zinc/45/88/31/569458831.db2.gz FMRLANWIXABMLO-OEMPCWLZSA-N 0 0 431.565 5.294 50 10 IKCARN Cc1ccc(NC(=O)C2=CC(=NNc3ccc(O)cc3Cl)c3ccccc3C2=O)c(C)c1 ZINC000004113473 569459521 /nfs/dbraw/zinc/45/95/21/569459521.db2.gz BNWXSPRZGLCIIM-ZQHSETAFSA-N 0 0 445.906 7.189 50 10 IKCARN COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000004149984 569460472 /nfs/dbraw/zinc/46/04/72/569460472.db2.gz QUBLTLNFWVSHCQ-SLSDLSHTSA-N 0 0 432.545 5.323 50 10 IKCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000004211741 569461065 /nfs/dbraw/zinc/46/10/65/569461065.db2.gz VMFJGVQHEJLGBK-PTNGSMBKSA-N 0 0 427.681 6.344 50 10 IKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000008408083 569464029 /nfs/dbraw/zinc/46/40/29/569464029.db2.gz ISJKFJVUSXVXTB-NFLXFJMZSA-N 0 0 442.519 5.538 50 10 IKCARN CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2N=Nc2c(O)ccc3ccccc32)cc1 ZINC000008695030 569470238 /nfs/dbraw/zinc/47/02/38/569470238.db2.gz PPSPYHDJQJRPBN-BYYHNAKLSA-N 0 0 429.436 5.113 50 10 IKCARN COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(C[NH+](CC(C)C)CC(C)C)c32)cc1 ZINC000008717863 569471216 /nfs/dbraw/zinc/47/12/16/569471216.db2.gz TVPVRJMNWDTPLE-UHFFFAOYSA-N 0 0 438.568 5.822 50 10 IKCARN CCn1c(-c2ccccc2)cnc1SCc1csc(N(C(C)=O)c2cccc(C)c2)n1 ZINC000008719769 569471447 /nfs/dbraw/zinc/47/14/47/569471447.db2.gz ZFDAGIXSHZRRMH-UHFFFAOYSA-N 0 0 448.617 6.312 50 10 IKCARN CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)SC1=S ZINC000008733368 569472488 /nfs/dbraw/zinc/47/24/88/569472488.db2.gz XIGIDHMVXJDZBB-MHWRWJLKSA-N 0 0 436.967 5.621 50 10 IKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000008763468 569474389 /nfs/dbraw/zinc/47/43/89/569474389.db2.gz QQBGLXGBZGPDFK-RTMICUHXSA-N 0 0 444.581 5.626 50 10 IKCARN CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000008763448 569474414 /nfs/dbraw/zinc/47/44/14/569474414.db2.gz OXDLJAKZSLXKCC-VKAVYKQESA-N 0 0 426.003 5.445 50 10 IKCARN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)OCc1ccccc1 ZINC000008765862 569474797 /nfs/dbraw/zinc/47/47/97/569474797.db2.gz ACDPOKNGWQUGJC-SILNSSARSA-N 0 0 425.575 5.192 50 10 IKCARN CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000008775962 569475328 /nfs/dbraw/zinc/47/53/28/569475328.db2.gz RVXQGAFYZOPAGM-XQNSMLJCSA-N 0 0 447.991 5.985 50 10 IKCARN COc1ccc(NN=C2C(=O)c3c(C)oc(C)c3C(=O)C=C2c2ccc(OC)cc2)cc1 ZINC000008817912 569476960 /nfs/dbraw/zinc/47/69/60/569476960.db2.gz MNVIPWXXVMNMRX-CYYJNZCTSA-N 0 0 430.460 6.215 50 10 IKCARN O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccco1 ZINC000008821432 569477140 /nfs/dbraw/zinc/47/71/40/569477140.db2.gz SOPPOOGQGAAMEC-RQZCQDPDSA-N 0 0 436.341 6.248 50 10 IKCARN C[C@H](c1ccccc1)N1C(=O)C(=CNc2cc(C(F)(F)F)ccc2Cl)SC1=S ZINC000008836373 569478053 /nfs/dbraw/zinc/47/80/53/569478053.db2.gz FWLGQXSWIBRJBJ-FFCYNSPCSA-N 0 0 442.915 6.234 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000008836404 569478070 /nfs/dbraw/zinc/47/80/70/569478070.db2.gz QMJYALQHUQUUHD-RNHFSVANSA-N 0 0 425.484 5.519 50 10 IKCARN Cc1cc(O)c(Sc2nc3ccccc3s2)cc1NS(=O)(=O)c1ccccc1 ZINC000008870313 569480592 /nfs/dbraw/zinc/48/05/92/569480592.db2.gz FVYYZQALEFDYMJ-UHFFFAOYSA-N 0 0 428.560 5.262 50 10 IKCARN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1 ZINC000008872376 569480919 /nfs/dbraw/zinc/48/09/19/569480919.db2.gz UZQWPZFEHFJPQY-YBFXNURJSA-N 0 0 446.380 6.968 50 10 IKCARN COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c1 ZINC000008872490 569480970 /nfs/dbraw/zinc/48/09/70/569480970.db2.gz NFGFZRUEUBURBB-PXLXIMEGSA-N 0 0 434.948 5.927 50 10 IKCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000008872980 569481023 /nfs/dbraw/zinc/48/10/23/569481023.db2.gz FKAYVIKOVGQXFK-MOHJPFBDSA-N 0 0 439.511 5.533 50 10 IKCARN O=[N+]([O-])c1cccc(-c2csc(N3N=C(c4ccccc4O)C[C@@H]3c3ccccc3)n2)c1 ZINC000039932480 569482037 /nfs/dbraw/zinc/48/20/37/569482037.db2.gz WPVZJEKCFRWBPQ-JOCHJYFZSA-N 0 0 442.500 5.780 50 10 IKCARN CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N21 ZINC000008918152 569486202 /nfs/dbraw/zinc/48/62/02/569486202.db2.gz MPYSYTCCHLYARA-ZNZIZOMTSA-N 0 0 433.507 5.017 50 10 biogenic IKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000008919868 569486472 /nfs/dbraw/zinc/48/64/72/569486472.db2.gz DNRNWSQLRCAIST-JEOXALJRSA-N 0 0 434.989 6.086 50 10 IKCARN COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000008927177 569487311 /nfs/dbraw/zinc/48/73/11/569487311.db2.gz QMJYALQHUQUUHD-FHAGJXEFSA-N 0 0 425.484 5.519 50 10 IKCARN O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1cccc(Cl)c1 ZINC000008983532 569494654 /nfs/dbraw/zinc/49/46/54/569494654.db2.gz KXFWPOYPZILFMD-FYJGNVAPSA-N 0 0 437.973 6.325 50 10 IKCARN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc32)SC1=S ZINC000008983905 569494671 /nfs/dbraw/zinc/49/46/71/569494671.db2.gz PVFQOHFLEGGLFM-FYJGNVAPSA-N 0 0 439.989 6.293 50 10 IKCARN CC(C)n1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000008984928 569494790 /nfs/dbraw/zinc/49/47/90/569494790.db2.gz ZVOARMGJDMNFMD-UHFFFAOYSA-N 0 0 439.151 5.460 50 10 IKCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)c2=O)cc1OC ZINC000009065644 569499682 /nfs/dbraw/zinc/49/96/82/569499682.db2.gz HERFLOACOIJPFO-UHFFFAOYSA-N 0 0 445.515 5.123 50 10 biogenic IKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=N)S1 ZINC000009066168 569499847 /nfs/dbraw/zinc/49/98/47/569499847.db2.gz QARPEVNHTVFVFJ-BTGMWCQSSA-N 0 0 445.523 5.104 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1-c1ccccn1 ZINC000009139643 569507230 /nfs/dbraw/zinc/50/72/30/569507230.db2.gz GGZYOUJRIFPGGW-UHFFFAOYSA-N 0 0 449.605 5.043 50 10 IKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccccc3Br)cc1)CC[C@@H](C)C2 ZINC000009153313 569508054 /nfs/dbraw/zinc/50/80/54/569508054.db2.gz WYKTYGQLLJEYAC-MRXNPFEDSA-N 0 0 437.381 5.603 50 10 IKCARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000009159465 569508587 /nfs/dbraw/zinc/50/85/87/569508587.db2.gz JTCVDNFSZVKVGA-FGQUTTIRSA-N 0 0 448.522 5.945 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000009159131 569508610 /nfs/dbraw/zinc/50/86/10/569508610.db2.gz KWYHEUOOCDTJBL-OMYHDSEFSA-N 0 0 447.608 5.910 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C2=N)S1 ZINC000009161435 569508728 /nfs/dbraw/zinc/50/87/28/569508728.db2.gz BOHVVATWXFGPEW-RLPJPJOASA-N 0 0 449.580 5.302 50 10 IKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=N)S1 ZINC000009191679 569510669 /nfs/dbraw/zinc/51/06/69/569510669.db2.gz JYEHSUAJMYVHDO-PWSGBSGUSA-N 0 0 439.972 5.475 50 10 IKCARN Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccc(Br)cc2)cc1 ZINC000009192397 569510792 /nfs/dbraw/zinc/51/07/92/569510792.db2.gz XOTOGPQEHVVJLC-NRFANRHFSA-N 0 0 435.321 5.455 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=N)S1 ZINC000009193108 569510810 /nfs/dbraw/zinc/51/08/10/569510810.db2.gz CRTLALLMLZFJIT-VPOOPXLYSA-N 0 0 443.985 5.077 50 10 IKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1 ZINC000009193194 569510845 /nfs/dbraw/zinc/51/08/45/569510845.db2.gz VWYSDYYSBXPXTB-ONWPUYBOSA-N 0 0 433.581 5.602 50 10 IKCARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000009210261 569511626 /nfs/dbraw/zinc/51/16/26/569511626.db2.gz RKEFUOAANGMJBQ-LCQIMXFNSA-N 0 0 446.919 5.462 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=N)S1 ZINC000009210577 569511714 /nfs/dbraw/zinc/51/17/14/569511714.db2.gz VEANLYIGLDRBTR-UYAJQHSGSA-N 0 0 446.363 5.430 50 10 IKCARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(Br)c1 ZINC000009217898 569512338 /nfs/dbraw/zinc/51/23/38/569512338.db2.gz XWFHJNGRVBLPKC-UHFFFAOYSA-N 0 0 445.386 5.066 50 10 IKCARN CCOC(=O)Cc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000009228599 569513614 /nfs/dbraw/zinc/51/36/14/569513614.db2.gz UYABZGUNXBMJFO-UHFFFAOYSA-N 0 0 439.943 5.175 50 10 IKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000009228803 569513662 /nfs/dbraw/zinc/51/36/62/569513662.db2.gz TZTMEANSYRUDKN-UHFFFAOYSA-N 0 0 432.749 5.832 50 10 IKCARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC000009229099 569513665 /nfs/dbraw/zinc/51/36/65/569513665.db2.gz JRNJWAFWYVAXFM-UHFFFAOYSA-N 0 0 429.539 5.442 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000009232938 569513770 /nfs/dbraw/zinc/51/37/70/569513770.db2.gz PGMMIFVBHXYBIC-ODJOWLHGSA-N 0 0 445.573 5.132 50 10 IKCARN CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=N)S1 ZINC000009233484 569513884 /nfs/dbraw/zinc/51/38/84/569513884.db2.gz ILGYAUINCPKOAV-AMWUQPRHSA-N 0 0 437.594 5.041 50 10 IKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000009235277 569514106 /nfs/dbraw/zinc/51/41/06/569514106.db2.gz FSPWYLOAZOOUMS-SMKDVUIYSA-N 0 0 439.544 5.070 50 10 IKCARN CCOC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CC/C3=C\c1ccccc1 ZINC000009245791 569515414 /nfs/dbraw/zinc/51/54/14/569515414.db2.gz HSLUPIRXNNHBNF-OBGWFSINSA-N 0 0 426.541 6.209 50 10 IKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C2=N)S1 ZINC000009281116 569518562 /nfs/dbraw/zinc/51/85/62/569518562.db2.gz 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