smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O ZINC000409414409 1069810426 /nfs/dbraw/zinc/81/04/26/1069810426.db2.gz VBRCLROKQWPASB-OAQYLSRUSA-N 0 0 551.680 5.512 50 10 KKCARN CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000002832190 1069823596 /nfs/dbraw/zinc/82/35/96/1069823596.db2.gz PIJSNXQDUIDPCH-JWGURIENSA-N 0 0 506.425 5.263 50 10 KKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000100306089 1069841825 /nfs/dbraw/zinc/84/18/25/1069841825.db2.gz KNRXJDRHZHRIBB-UHFFFAOYSA-N 0 0 576.564 5.742 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002959261 1069844095 /nfs/dbraw/zinc/84/40/95/1069844095.db2.gz BQYFNKRMGPEYIP-HYARGMPZSA-N 0 0 590.542 5.935 50 10 KKCARN CCn1c2cc(-c3nc4ccccc4s3)ccc2[n+](-c2ccccc2)c1C=CC=C1N(CCCS(=O)(=O)[O-])c2cc(Cl)ccc2N1c1ccccc1 ZINC000685944235 1070938115 /nfs/dbraw/zinc/93/81/15/1070938115.db2.gz FPWADWHAWFPVKV-UHFFFAOYSA-O 0 0 745.350 9.659 50 10 KKCARN CCn1c(O)c(C=CC=C2CCCC(C=CC=C3C(=O)N(CC)C(=S)N(CC)C3=O)=C2c2ccccc2)c(=O)n(CC)c1=S ZINC000685944750 1070945671 /nfs/dbraw/zinc/94/56/71/1070945671.db2.gz UXWUMXURJZWAEL-ZPOAUVDRSA-N 0 0 630.836 6.180 50 10 KKCARN CN(C)c1ccc(/C=C/c2ccnc3c(SCCOCCOCCSc4cccc5c(/C=C/c6ccc(N(C)C)cc6)ccnc45)cccc23)cc1 ZINC000685944763 1070946183 /nfs/dbraw/zinc/94/61/83/1070946183.db2.gz VVCOLOHHXCATPR-JYFOCSDGSA-N 0 0 727.012 10.173 50 10 KKCARN CCN1c2cc(-c3nc4ccccc4s3)ccc2N(c2ccccc2)/C1=C\C=C\c1n(CCCS(=O)(=O)[O-])c2cc(-c3nc4ccccc4o3)ccc2[n+]1C ZINC000685944534 1070942545 /nfs/dbraw/zinc/94/25/45/1070942545.db2.gz UXDXJEIBXIJCBK-UHFFFAOYSA-O 0 0 765.941 9.361 50 10 KKCARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1/C=C1\C(C)=NN(c2ccccc2)C1=O ZINC000015906629 1071084304 /nfs/dbraw/zinc/08/43/04/1071084304.db2.gz DKGXLOQHRZXIRZ-XLNRJJMWSA-N 0 0 507.644 6.748 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000001870626 1071130932 /nfs/dbraw/zinc/13/09/32/1071130932.db2.gz PTIAICMCXVOOKI-AJPHYDNBSA-N 0 0 567.758 5.353 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 ZINC000588106659 1071168443 /nfs/dbraw/zinc/16/84/43/1071168443.db2.gz OMDIOWPVCMVWEU-DYIKCSJPSA-N 0 0 563.575 7.330 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(=O)N3N=C4/C(=C\c5ccc(OC)cc5)CCC[C@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000150538472 1071173409 /nfs/dbraw/zinc/17/34/09/1071173409.db2.gz MWOAEBXAHIEWJU-OHGVLNFNSA-N 0 0 697.835 6.280 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000227241169 1071185039 /nfs/dbraw/zinc/18/50/39/1071185039.db2.gz LAPYRLLXPSDQEA-RWSKJCERSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc2c3c(n(CC[C@@H](CCC(C)C)[C@H]4CCOC(C)(C)C4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404311 1071269345 /nfs/dbraw/zinc/26/93/45/1071269345.db2.gz BYLXGPRUAZFRKF-YADHBBJMSA-N 0 0 531.693 6.878 50 10 KKCARN COc1ccc2c3c(n(CCCNc4ccnc5cc(Cl)ccc54)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404702 1071270561 /nfs/dbraw/zinc/27/05/61/1071270561.db2.gz JFALEYKFJLMPHH-UHFFFAOYSA-N 0 0 525.992 5.934 50 10 KKCARN CCOC(=O)c1c(C)oc2ccc(OC[C@@H](O)CN3CCn4c5ccc(C)cc5c5c4[C@H]3CCC5)cc21 ZINC000823246791 1071281403 /nfs/dbraw/zinc/28/14/03/1071281403.db2.gz ZMESHXSFNUCJCT-RXFWQSSRSA-N 0 0 502.611 5.314 50 10 KKCARN CCOC(=O)c1c(C)oc2ccc(OC[C@H](O)CN3CCn4c5ccc(C)cc5c5c4[C@H]3CCC5)cc21 ZINC000823246790 1071281603 /nfs/dbraw/zinc/28/16/03/1071281603.db2.gz ZMESHXSFNUCJCT-FQRUVTKNSA-N 0 0 502.611 5.314 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000102831553 1071303658 /nfs/dbraw/zinc/30/36/58/1071303658.db2.gz FUFLZMHQKMQZPN-RLWVUDJFSA-N 0 0 622.193 6.160 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000102833161 1071304279 /nfs/dbraw/zinc/30/42/79/1071304279.db2.gz YWNGHMRNKOWJBS-SGSZHJQISA-N 0 0 553.731 5.025 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S)c1csc2c1CCCC2 ZINC000102922131 1071305462 /nfs/dbraw/zinc/30/54/62/1071305462.db2.gz VGSLNRZMNKDCBA-KEBDBYFISA-N 0 0 535.499 6.740 50 10 KKCARN O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4c(Cl)cccc4Cl)S3)CC2)S/C1=C/c1c(Cl)cccc1Cl ZINC000003176359 1071317151 /nfs/dbraw/zinc/31/71/51/1071317151.db2.gz BVBYHIWCXNJHTL-UHWBUFEVSA-N 0 0 598.364 6.559 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000003070801 1071317286 /nfs/dbraw/zinc/31/72/86/1071317286.db2.gz CXOCVPKXEIJLEP-VXLYETTFSA-N 0 0 516.069 5.236 50 10 KKCARN COc1cc(/C=C\C(=O)Nc2nc(-c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cs2)cc(OC)c1OC ZINC000103047617 1071329087 /nfs/dbraw/zinc/32/90/87/1071329087.db2.gz KPIHUQQNESZLGC-KTKRTIGZSA-N 0 0 557.594 6.914 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000103054871 1071329233 /nfs/dbraw/zinc/32/92/33/1071329233.db2.gz IMQMWVWAXLMIKN-YPKPFQOOSA-N 0 0 558.612 5.275 50 10 KKCARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)n1-c1ccccc1F ZINC000103125383 1071336483 /nfs/dbraw/zinc/33/64/83/1071336483.db2.gz XGICWUSWXCIZJV-SSZFMOIBSA-N 0 0 538.641 5.237 50 10 KKCARN CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N(c4ccccc4)N=C3C)ccc21 ZINC000034871159 1072825394 /nfs/dbraw/zinc/82/53/94/1072825394.db2.gz IVORPCWSBBELRY-ANYBSYGZSA-N 0 0 521.624 7.473 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 ZINC000097983444 1072839195 /nfs/dbraw/zinc/83/91/95/1072839195.db2.gz RLSJMHWVFJBDTP-ONUIUJJFSA-N 0 0 547.592 5.122 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2sc(=Cc4ccc(F)cc4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000254395816 1072852017 /nfs/dbraw/zinc/85/20/17/1072852017.db2.gz YTUKXEVITIRQKC-ASTAXOBBSA-N 0 0 564.730 5.754 50 10 KKCARN CN(C)c1ccc(/C=C2/CCCC3=C2N=c2sc(=Cc4ccccc4[N+](=O)[O-])c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000254852022 1072885435 /nfs/dbraw/zinc/88/54/35/1072885435.db2.gz CXMPQWBMCKMPDJ-FMGHZQSPSA-N 0 0 591.737 5.523 50 10 KKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Br)c3)SC2=S)c1 ZINC000001118986 1072889650 /nfs/dbraw/zinc/88/96/50/1072889650.db2.gz SBQZFYGUYJOAMU-UNOMPAQXSA-N 0 0 500.395 5.976 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(Cl)c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000000659421 551515317 /nfs/dbraw/zinc/51/53/17/551515317.db2.gz RQCAJTKSKJJYBV-HVNZXBJASA-N 0 0 532.979 6.387 50 10 KKCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(Cl)c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000000659419 551515327 /nfs/dbraw/zinc/51/53/27/551515327.db2.gz RQCAJTKSKJJYBV-MXBOTTGLSA-N 0 0 532.979 6.387 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000000675730 551522098 /nfs/dbraw/zinc/52/20/98/551522098.db2.gz XPDYQYITSBHZRM-PCCBWWKXSA-N 0 0 571.210 5.451 50 10 KKCARN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(Br)cc3)C23C(=O)c2ccccc2C3=O)c1 ZINC000000680211 551523710 /nfs/dbraw/zinc/52/37/10/551523710.db2.gz CKIBJDIKDWCVEN-SUYBVONHSA-N 0 0 577.430 6.496 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000797198 551542923 /nfs/dbraw/zinc/54/29/23/551542923.db2.gz OKLOBSACDDNZGO-RNAHPLFWSA-N 0 0 529.504 5.334 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000000809003 551543702 /nfs/dbraw/zinc/54/37/02/551543702.db2.gz GQEAHPHHXYVRJG-HZHRSRAPSA-N 0 0 525.428 5.277 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000000822394 551544284 /nfs/dbraw/zinc/54/42/84/551544284.db2.gz YCHLDQUWABZTKE-PCCBWWKXSA-N 0 0 526.759 5.342 50 10 KKCARN CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@H](C)C2 ZINC000000938463 551587587 /nfs/dbraw/zinc/58/75/87/551587587.db2.gz SGEQXVPRMCWFDZ-GTNSWQLSSA-N 0 0 512.575 5.510 50 10 KKCARN O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000001002907 551595670 /nfs/dbraw/zinc/59/56/70/551595670.db2.gz JWBPBLZIJJRVED-VIZOYTHASA-N 0 0 518.241 5.067 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(F)cc1 ZINC000001200029 551623325 /nfs/dbraw/zinc/62/33/25/551623325.db2.gz WGWHLCIEQCXDFM-SETSBSEESA-N 0 0 536.942 6.218 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000001242485 551630979 /nfs/dbraw/zinc/63/09/79/551630979.db2.gz BBDLQSVLMFEBDR-DQRAZIAOSA-N 0 0 512.056 5.229 50 10 KKCARN NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)CC1 ZINC000001270607 551634617 /nfs/dbraw/zinc/63/46/17/551634617.db2.gz IGUJUTZGAWRRJO-USHMODERSA-N 0 0 563.683 5.286 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001739030 551691194 /nfs/dbraw/zinc/69/11/94/551691194.db2.gz QWBDAAGMRHXNNX-YPKYBTACSA-N 0 0 559.593 6.159 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C)n1-c1ccccc1 ZINC000001746521 551692116 /nfs/dbraw/zinc/69/21/16/551692116.db2.gz ACTIMXGUZNHFAY-UHFFFAOYSA-N 0 0 525.699 6.709 50 10 KKCARN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)sc2c1CCCC2 ZINC000001746939 551692140 /nfs/dbraw/zinc/69/21/40/551692140.db2.gz XTWBZFWYMIVKEQ-YVLHZVERSA-N 0 0 555.530 5.950 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000001766879 551695145 /nfs/dbraw/zinc/69/51/45/551695145.db2.gz IFZJZBWSJPHFEK-CHHVJCJISA-N 0 0 502.242 5.596 50 10 KKCARN CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)sc2c1CCCC2 ZINC000001776414 551697521 /nfs/dbraw/zinc/69/75/21/551697521.db2.gz BNOXDSHBKOZEHA-BOPFTXTBSA-N 0 0 521.085 5.297 50 10 KKCARN C[N@H+](Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001782076 551698554 /nfs/dbraw/zinc/69/85/54/551698554.db2.gz UYZWLMJWEHQULX-UHFFFAOYSA-N 0 0 526.349 6.837 50 10 biogenic KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000001785186 551699461 /nfs/dbraw/zinc/69/94/61/551699461.db2.gz RBVRGBLXCOIQQA-VATRIRCNSA-N 0 0 581.712 7.600 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000001815586 551707511 /nfs/dbraw/zinc/70/75/11/551707511.db2.gz SBZOPAIQZLMSAG-OIFRRMEBSA-N 0 0 540.575 6.220 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000001817645 551708159 /nfs/dbraw/zinc/70/81/59/551708159.db2.gz GNHRCODOBKECND-YTCPBCGMSA-N 0 0 560.993 6.565 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000001830378 551711228 /nfs/dbraw/zinc/71/12/28/551711228.db2.gz QKUVWIQDDCISFS-DYIKCSJPSA-N 0 0 564.012 6.804 50 10 KKCARN CN(C)c1ccc([C@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000001839543 551713799 /nfs/dbraw/zinc/71/37/99/551713799.db2.gz PSFILSMFIGPJHI-HHHXNRCGSA-N 0 0 503.495 7.123 50 10 KKCARN CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000001851647 551715657 /nfs/dbraw/zinc/71/56/57/551715657.db2.gz PNPCKAAXONGGKM-JGCGQSQUSA-N 0 0 595.707 7.219 50 10 KKCARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1cc(C)ccc1C(C)C ZINC000001864666 551717737 /nfs/dbraw/zinc/71/77/37/551717737.db2.gz XDEPVAOETWTVQQ-UDWIEESQSA-N 0 0 569.486 6.090 50 10 KKCARN CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000001868830 551718756 /nfs/dbraw/zinc/71/87/56/551718756.db2.gz MSSKZRDFBNMVOH-GVAUOCQISA-N 0 0 557.444 5.713 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001873712 551720522 /nfs/dbraw/zinc/72/05/22/551720522.db2.gz QWLRAMATASVKNB-PFBJBMPXSA-N 0 0 556.058 6.406 50 10 KKCARN N=C1/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000001881201 551724220 /nfs/dbraw/zinc/72/42/20/551724220.db2.gz MCNAWMZRNZEMDI-ZQCDYBDLSA-N 0 0 576.534 7.506 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000001884979 551725268 /nfs/dbraw/zinc/72/52/68/551725268.db2.gz VUAREGVQKQGSRK-YTCPBCGMSA-N 0 0 578.983 6.704 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000001890152 551726272 /nfs/dbraw/zinc/72/62/72/551726272.db2.gz VBKDRVPWWJTYBC-YTCPBCGMSA-N 0 0 594.892 7.419 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000001896809 551728330 /nfs/dbraw/zinc/72/83/30/551728330.db2.gz JYMJWURAJYXCMG-OIFRRMEBSA-N 0 0 556.574 5.920 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001897014 551728627 /nfs/dbraw/zinc/72/86/27/551728627.db2.gz HFTXTZBLQVGJSF-OLUZHXLYSA-N 0 0 557.577 6.067 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)c1 ZINC000001899215 551729932 /nfs/dbraw/zinc/72/99/32/551729932.db2.gz YFEBTZDEIHLWQO-OIFRRMEBSA-N 0 0 580.467 7.318 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)c1 ZINC000001900703 551730583 /nfs/dbraw/zinc/73/05/83/551730583.db2.gz DGKBCLJAEKGKGG-OIFRRMEBSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000001900481 551730593 /nfs/dbraw/zinc/73/05/93/551730593.db2.gz JIHZXFZUKLWBIK-OCBJUFRSSA-N 0 0 590.473 6.774 50 10 KKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001946145 551734947 /nfs/dbraw/zinc/73/49/47/551734947.db2.gz DTCVDPNNQPUPCF-MTJSOVHGSA-N 0 0 586.863 6.575 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000002055960 551739917 /nfs/dbraw/zinc/73/99/17/551739917.db2.gz VUPRASPIHHRETA-FAJYDZGRSA-N 0 0 543.735 7.576 50 10 KKCARN CC(C)(C)c1cc(N2CCN(c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2c2ccccc2O)c(O)c(C(C)(C)C)c1 ZINC000002066747 551745529 /nfs/dbraw/zinc/74/55/29/551745529.db2.gz IUGUFIKIAXVEHF-UHFFFAOYSA-N 0 0 572.834 9.019 50 10 KKCARN C[C@@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002079132 551750830 /nfs/dbraw/zinc/75/08/30/551750830.db2.gz AEILBXHSFQWBLI-ZDUSSCGKSA-N 0 0 574.247 7.869 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002089296 551758351 /nfs/dbraw/zinc/75/83/51/551758351.db2.gz WEWVCTBHZLXVPN-CLNXTWJPSA-N 0 0 599.778 5.209 50 10 KKCARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(OCc3ccccc3)cc2)CO4)cc1 ZINC000002114431 551769032 /nfs/dbraw/zinc/76/90/32/551769032.db2.gz PPZJMCCACMPNDY-UHFFFAOYSA-N 0 0 505.570 6.713 50 10 biogenic KKCARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000002159260 551780550 /nfs/dbraw/zinc/78/05/50/551780550.db2.gz RBOPVYNOEAYSAT-UHFFFAOYSA-N 0 0 545.586 6.861 50 10 KKCARN CCOc1cc(/C=C2\SC(N(C(C)=O)c3ccccc3C)=NC2=O)c(Br)cc1OC(C)C ZINC000002177797 551783746 /nfs/dbraw/zinc/78/37/46/551783746.db2.gz KJMAFFGKPGPLSI-UUYOSTAYSA-N 0 0 517.445 5.967 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002182213 551785452 /nfs/dbraw/zinc/78/54/52/551785452.db2.gz VQRMSPYZOBJZJS-ZGOFBEGVSA-N 0 0 561.704 5.067 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000002185788 551787052 /nfs/dbraw/zinc/78/70/52/551787052.db2.gz QZVXWBMKPALUSX-DDIUQFJASA-N 0 0 595.696 5.507 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000002194398 551791523 /nfs/dbraw/zinc/79/15/23/551791523.db2.gz GOIRLBUVEFJCSJ-QQXSKIMKSA-N 0 0 527.671 6.266 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000002194403 551791704 /nfs/dbraw/zinc/79/17/04/551791704.db2.gz SENGGFQUSSIXPE-NAZSJVEXSA-N 0 0 519.692 6.017 50 10 KKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000002199385 551792481 /nfs/dbraw/zinc/79/24/81/551792481.db2.gz BGJBHNMVORQADH-YRKKDBSBSA-N 0 0 527.731 5.305 50 10 KKCARN Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000002203721 551793060 /nfs/dbraw/zinc/79/30/60/551793060.db2.gz JPAREEJZWRVZLG-CEZZIEKDSA-N 0 0 515.685 6.117 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 ZINC000002205539 551793234 /nfs/dbraw/zinc/79/32/34/551793234.db2.gz DKPPPKGFXNALSF-UTPYHIIDSA-N 0 0 518.661 6.274 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002215617 551795001 /nfs/dbraw/zinc/79/50/01/551795001.db2.gz CAEOJQLDXOEADA-UNRZKBSHSA-N 0 0 512.565 5.500 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1C ZINC000002216866 551795242 /nfs/dbraw/zinc/79/52/42/551795242.db2.gz OAQAXKGHMFTMEF-IWIPYMOSSA-N 0 0 501.633 6.241 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000002248581 551800673 /nfs/dbraw/zinc/80/06/73/551800673.db2.gz BFPHXOMSBIBSNL-IMRQLAEWSA-N 0 0 525.699 7.038 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000002249597 551801139 /nfs/dbraw/zinc/80/11/39/551801139.db2.gz CGAXCKKCQDXJCV-JLPGSUDCSA-N 0 0 517.701 7.036 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1Cl ZINC000002258367 551803391 /nfs/dbraw/zinc/80/33/91/551803391.db2.gz LWKDQQZIBGUUGL-JCMHNJIXSA-N 0 0 514.072 5.829 50 10 KKCARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(CN2c3ccc(OCC)cc3C(C)=CC2(C)C)cc1 ZINC000002289142 551807250 /nfs/dbraw/zinc/80/72/50/551807250.db2.gz SERVRFVGYRYWRA-UHFFFAOYSA-N 0 0 536.760 8.888 50 10 KKCARN CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000002255436 552083564 /nfs/dbraw/zinc/08/35/64/552083564.db2.gz IAMQACGDKZOEOW-CQKAXJAZSA-N 0 0 527.740 7.614 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCc1ccccc1 ZINC000002314732 552092421 /nfs/dbraw/zinc/09/24/21/552092421.db2.gz WAAWVYKKMAZCST-ULJHMMPZSA-N 0 0 502.064 6.637 50 10 KKCARN CC1=CC(C)(C)N(CC(=O)N2CCc3ccccc32)c2ccc(OCC(=O)N3CCc4ccccc43)cc21 ZINC000002336213 552097082 /nfs/dbraw/zinc/09/70/82/552097082.db2.gz FAOQMLFBSYFYQB-UHFFFAOYSA-N 0 0 507.634 5.246 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S ZINC000002355877 552101017 /nfs/dbraw/zinc/10/10/17/552101017.db2.gz UGKHMDUNLVRGJP-JLPGSUDCSA-N 0 0 507.681 5.873 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(C)C ZINC000002363236 552103343 /nfs/dbraw/zinc/10/33/43/552103343.db2.gz YEBCLKCDFKQZTJ-QRQIAZFYSA-N 0 0 539.726 7.284 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000002367907 552104562 /nfs/dbraw/zinc/10/45/62/552104562.db2.gz XLDCWXNKWRQCFP-JTOYMXJDSA-N 0 0 505.709 6.964 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000002367902 552104597 /nfs/dbraw/zinc/10/45/97/552104597.db2.gz XLDCWXNKWRQCFP-AUFPJITRSA-N 0 0 505.709 6.964 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1C ZINC000002378214 552107208 /nfs/dbraw/zinc/10/72/08/552107208.db2.gz HXQHZCLDQCKOOU-JTOYMXJDSA-N 0 0 505.709 7.026 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)S3)CC2)cc1Cl ZINC000002403597 552111766 /nfs/dbraw/zinc/11/17/66/552111766.db2.gz HBRMKRKXFAJSND-UCQKPKSFSA-N 0 0 532.880 7.008 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000002425476 552116710 /nfs/dbraw/zinc/11/67/10/552116710.db2.gz GIWHFOAGGSDEJP-OCBJUFRSSA-N 0 0 540.575 5.323 50 10 KKCARN CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000002427647 552116965 /nfs/dbraw/zinc/11/69/65/552116965.db2.gz PDSKTXSBFGTOID-XGDNCFSYSA-N 0 0 511.672 6.900 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000002443110 552120275 /nfs/dbraw/zinc/12/02/75/552120275.db2.gz ZSGISSXRUKFRKG-NXCFDTQHSA-N 0 0 541.003 6.297 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000002446094 552121273 /nfs/dbraw/zinc/12/12/73/552121273.db2.gz DWOHIBAWTQWGFQ-JBOQNHBVSA-N 0 0 529.567 6.151 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000002448873 552122276 /nfs/dbraw/zinc/12/22/76/552122276.db2.gz CZWIGQKWMMYNIQ-OLUZHXLYSA-N 0 0 543.594 6.541 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC(=S)N1Cc1ccccc1Cl ZINC000002448810 552122321 /nfs/dbraw/zinc/12/23/21/552122321.db2.gz FOCCAJJRNKHLPQ-HZHRSRAPSA-N 0 0 545.089 5.312 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000002449298 552122544 /nfs/dbraw/zinc/12/25/44/552122544.db2.gz VWKOHKSEZVOYNU-JBOQNHBVSA-N 0 0 529.567 6.151 50 10 KKCARN CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000002449176 552122574 /nfs/dbraw/zinc/12/25/74/552122574.db2.gz XSRVDKZQVUTXLN-UBFVSLLYSA-N 0 0 522.815 6.669 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002450133 552122808 /nfs/dbraw/zinc/12/28/08/552122808.db2.gz AEXMQEBNJCRDDS-OCBJUFRSSA-N 0 0 529.567 6.151 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000002449813 552122859 /nfs/dbraw/zinc/12/28/59/552122859.db2.gz HBRVUEJATAXEFU-NLDZOOGBSA-N 0 0 533.986 6.795 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002450269 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/nfs/dbraw/zinc/23/58/10/553235810.db2.gz UOHBZAZOGNKXJS-DHRITJCHSA-N 0 0 521.616 5.163 50 10 KKCARN COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1 ZINC000009311273 553239487 /nfs/dbraw/zinc/23/94/87/553239487.db2.gz RGZCVKVRDKQVEB-HMMYKYKNSA-N 0 0 516.380 7.511 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000009346205 553244419 /nfs/dbraw/zinc/24/44/19/553244419.db2.gz CXMHWVFYLQPYTM-KQWNVCNZSA-N 0 0 518.708 5.347 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S ZINC000009347839 553244645 /nfs/dbraw/zinc/24/46/45/553244645.db2.gz MZVBERBLEIKQEU-ITYLOYPMSA-N 0 0 519.736 7.416 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC)C2=O)cc1 ZINC000009427547 553259888 /nfs/dbraw/zinc/25/98/88/553259888.db2.gz BFBXSYONFYCTQM-QOMWVZHYSA-N 0 0 519.736 7.500 50 10 KKCARN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000009428537 553260582 /nfs/dbraw/zinc/26/05/82/553260582.db2.gz ZDBKSOKWCCSTMD-JLPGSUDCSA-N 0 0 520.632 5.219 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000009439161 553264805 /nfs/dbraw/zinc/26/48/05/553264805.db2.gz KBKHPJAZIHYMES-JWGRYVKWSA-N 0 0 507.677 7.378 50 10 KKCARN Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1 ZINC000009456730 553266546 /nfs/dbraw/zinc/26/65/46/553266546.db2.gz BPSINLXXIUXXOH-ZLLSNJOHSA-N 0 0 502.621 5.572 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000009461632 553267754 /nfs/dbraw/zinc/26/77/54/553267754.db2.gz WIFFOIICTJPNAX-ULJHMMPZSA-N 0 0 526.127 7.373 50 10 KKCARN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 ZINC000009471640 553269976 /nfs/dbraw/zinc/26/99/76/553269976.db2.gz NEBHZVQCIWUNDI-WIHNTMTLSA-N 0 0 516.671 5.239 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000009554188 553278871 /nfs/dbraw/zinc/27/88/71/553278871.db2.gz BTLUVPSMQVWAQR-UUYOSTAYSA-N 0 0 513.541 6.096 50 10 KKCARN O=C1/C(=C\c2ccc3c(c2)OCO3)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000009635698 553291827 /nfs/dbraw/zinc/29/18/27/553291827.db2.gz VNEFEEMHVVBGNG-WQRHYEAKSA-N 0 0 506.008 6.257 50 10 KKCARN O=C1/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(F)cc1 ZINC000009763054 553303223 /nfs/dbraw/zinc/30/32/23/553303223.db2.gz MCQKICLQXKESGI-KQWNVCNZSA-N 0 0 500.016 6.733 50 10 KKCARN CCOC(=O)[C@H]1CCCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009780307 553307388 /nfs/dbraw/zinc/30/73/88/553307388.db2.gz BWCQHVBESSALFI-SFHVURJKSA-N 0 0 510.594 5.628 50 10 KKCARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000009781147 553307783 /nfs/dbraw/zinc/30/77/83/553307783.db2.gz GPZCBPXKYJQMIF-SANMLTNESA-N 0 0 525.682 5.739 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000009781142 553307820 /nfs/dbraw/zinc/30/78/20/553307820.db2.gz GPZCBPXKYJQMIF-AREMUKBSSA-N 0 0 525.682 5.739 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000009957708 553320379 /nfs/dbraw/zinc/32/03/79/553320379.db2.gz HVSABBCZOKOVLF-IMRQLAEWSA-N 0 0 519.688 6.561 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000009969801 553322329 /nfs/dbraw/zinc/32/23/29/553322329.db2.gz QCLKFVNWCOLIMD-ONUIUJJFSA-N 0 0 524.107 7.635 50 10 KKCARN O=C(NC(=S)Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc(Cl)sc1Cl ZINC000011852718 553345493 /nfs/dbraw/zinc/34/54/93/553345493.db2.gz CEOLCTGNHFUNFK-UHFFFAOYSA-N 0 0 514.253 6.175 50 10 KKCARN Cc1ccc(C)c(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000012285490 553356676 /nfs/dbraw/zinc/35/66/76/553356676.db2.gz QGXDWJHZUGDBMH-IRCMEVCOSA-N 0 0 525.678 6.537 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c2ccccc2c2c(-c3ccccc3)cc(-c3ccccc3)oc1-2 ZINC000012311796 553357732 /nfs/dbraw/zinc/35/77/32/553357732.db2.gz GGCLYAJNGRLBSS-XHLNEMQHSA-N 0 0 504.589 8.678 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1 ZINC000012318385 553358251 /nfs/dbraw/zinc/35/82/51/553358251.db2.gz BUHWAOYYVIGTBF-XPJQHBIASA-N 0 0 523.658 6.880 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1 ZINC000012349624 553358869 /nfs/dbraw/zinc/35/88/69/553358869.db2.gz JUNDERPREDRMIB-JWGURIENSA-N 0 0 512.450 6.313 50 10 KKCARN COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2O)c2ccc(Cl)cc2Cl)c1O ZINC000012372136 553360652 /nfs/dbraw/zinc/36/06/52/553360652.db2.gz DBKKZSJTYUPBDA-UHFFFAOYSA-N 0 0 501.409 5.898 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2C)cc1 ZINC000012634594 553406298 /nfs/dbraw/zinc/40/62/98/553406298.db2.gz OZHIXSIPQMLPOW-SFHVURJKSA-N 0 0 505.571 5.287 50 10 KKCARN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4cc(C)n(-c5ccccc5F)c4C)n3C)cc2C1 ZINC000013139958 553454147 /nfs/dbraw/zinc/45/41/47/553454147.db2.gz UKQWXYXHVWFZQJ-GOSISDBHSA-N 0 0 508.688 6.580 50 10 KKCARN COc1cc(Br)c(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000013145555 553454760 /nfs/dbraw/zinc/45/47/60/553454760.db2.gz MBEZVVJSPBJMOQ-UHFFFAOYSA-N 0 0 520.807 5.496 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C ZINC000013619119 553478294 /nfs/dbraw/zinc/47/82/94/553478294.db2.gz AXVSEEYZSCWPFV-PKAZHMFMSA-N 0 0 525.699 6.956 50 10 KKCARN CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1 ZINC000013714867 553486420 /nfs/dbraw/zinc/48/64/20/553486420.db2.gz BHJJZRIYYHEWMX-MOHJPFBDSA-N 0 0 523.749 6.669 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)SC1=S ZINC000013715192 553486473 /nfs/dbraw/zinc/48/64/73/553486473.db2.gz BOAFFTBZAYTYFH-MOHJPFBDSA-N 0 0 507.750 7.433 50 10 KKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 ZINC000013752080 553488042 /nfs/dbraw/zinc/48/80/42/553488042.db2.gz KBPHCWHNFVWUFS-RRAHZORUSA-N 0 0 520.658 6.575 50 10 KKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000013776531 553490049 /nfs/dbraw/zinc/49/00/49/553490049.db2.gz BGJBHNMVORQADH-SCWLSEGGSA-N 0 0 527.731 5.305 50 10 KKCARN N=C1/C(=C/c2ccc(OCCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000013777108 553490164 /nfs/dbraw/zinc/49/01/64/553490164.db2.gz ODGNBIQDMPUTCK-ZSAFTPKOSA-N 0 0 517.998 5.250 50 10 KKCARN Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)ccc1Cl ZINC000013798942 553491056 /nfs/dbraw/zinc/49/10/56/553491056.db2.gz UNKITRZDLGZJRZ-WNUQXASFSA-N 0 0 516.022 6.410 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000013809854 553492009 /nfs/dbraw/zinc/49/20/09/553492009.db2.gz GSFHYGIIKZRMTO-CILUPWNJSA-N 0 0 516.022 6.622 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000013809758 553492072 /nfs/dbraw/zinc/49/20/72/553492072.db2.gz OVTXVSDYKOUXOR-JFSIGMPTSA-N 0 0 523.658 6.962 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000013809948 553492157 /nfs/dbraw/zinc/49/21/57/553492157.db2.gz RCNYSRDMHIKJPV-BWAHOGKJSA-N 0 0 505.709 7.028 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000013810398 553492382 /nfs/dbraw/zinc/49/23/82/553492382.db2.gz DKAKOZRENDQBAP-DZIBZFBXSA-N 0 0 502.640 5.326 50 10 KKCARN Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21 ZINC000013810568 553492439 /nfs/dbraw/zinc/49/24/39/553492439.db2.gz GGNNYWCAQLPESW-WRLNMTLESA-N 0 0 504.615 6.333 50 10 KKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000013811237 553492509 /nfs/dbraw/zinc/49/25/09/553492509.db2.gz WCCGFVLOMNYHHE-GGMSWHNTSA-N 0 0 525.699 7.291 50 10 KKCARN COc1ccc(Br)cc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000013831091 553492880 /nfs/dbraw/zinc/49/28/80/553492880.db2.gz AWPVJENCARCDPF-CYFREDJKSA-N 0 0 515.791 5.768 50 10 KKCARN O=C1/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000013895208 553494513 /nfs/dbraw/zinc/49/45/13/553494513.db2.gz RXVWYXGPPGOSAD-JCMHNJIXSA-N 0 0 502.444 6.857 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccccc1OC ZINC000013895500 553494686 /nfs/dbraw/zinc/49/46/86/553494686.db2.gz YXHKASXELGMYHS-RCCKNPSSSA-N 0 0 508.061 5.816 50 10 KKCARN Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000013898848 553495215 /nfs/dbraw/zinc/49/52/15/553495215.db2.gz WUYDKJREMGCNST-HYARGMPZSA-N 0 0 516.471 7.165 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000013940167 553496164 /nfs/dbraw/zinc/49/61/64/553496164.db2.gz WPNQLRXTJUJQFG-MUGVLWBISA-N 0 0 512.591 5.533 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000013940213 553496212 /nfs/dbraw/zinc/49/62/12/553496212.db2.gz AEJZGWZACQALRA-ZFLZBDSRSA-N 0 0 520.655 5.689 50 10 KKCARN C[C@H](COc1ccccc1)Cn1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21 ZINC000013940708 553496498 /nfs/dbraw/zinc/49/64/98/553496498.db2.gz UERQTAOCYLEEQJ-AZPOBORNSA-N 0 0 518.642 6.661 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000013942983 553496897 /nfs/dbraw/zinc/49/68/97/553496897.db2.gz AGFXNTAMZLGVKL-HSVRYATOSA-N 0 0 513.019 5.534 50 10 KKCARN COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O ZINC000015947354 553545372 /nfs/dbraw/zinc/54/53/72/553545372.db2.gz SCEJAWMXGVMTJH-NRFANRHFSA-N 0 0 500.418 5.212 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016001556 553550046 /nfs/dbraw/zinc/55/00/46/553550046.db2.gz JOIHQDPYNAAEPU-NXCFDTQHSA-N 0 0 513.996 6.528 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016009714 553550515 /nfs/dbraw/zinc/55/05/15/553550515.db2.gz CMGQYXWEHPXLGA-YTCPBCGMSA-N 0 0 517.531 6.281 50 10 KKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016031714 553551610 /nfs/dbraw/zinc/55/16/10/553551610.db2.gz UYBVBFZQKLNELJ-NRUCJFFWSA-N 0 0 522.686 5.467 50 10 biogenic KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000016160734 553555590 /nfs/dbraw/zinc/55/55/90/553555590.db2.gz PCCWXYZUZYFEQB-XKZIYDEJSA-N 0 0 505.361 5.508 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016196058 553556667 /nfs/dbraw/zinc/55/66/67/553556667.db2.gz IBIVAOLUZLDGDR-MXAYSNPKSA-N 0 0 519.688 6.218 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 ZINC000016700889 553574724 /nfs/dbraw/zinc/57/47/24/553574724.db2.gz WNQDFFMPHLWASE-QOMWVZHYSA-N 0 0 516.667 5.801 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c(C)c1 ZINC000016701086 553574764 /nfs/dbraw/zinc/57/47/64/553574764.db2.gz CWSMAWFJVXOBSE-WQUKECCVSA-N 0 0 516.667 5.716 50 10 KKCARN CCCCCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(CCCOCC)C2=O)C1=O ZINC000016731824 553577338 /nfs/dbraw/zinc/57/73/38/553577338.db2.gz AGVLQSKNFBBFOK-HNENSFHCSA-N 0 0 511.507 5.374 50 10 KKCARN CCCCCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(C3CCCCC3)C2=O)C1=O ZINC000016731983 553577510 /nfs/dbraw/zinc/57/75/10/553577510.db2.gz HYOPUIOIVRYADL-VXPUYCOJSA-N 0 0 507.519 6.280 50 10 KKCARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000016790686 553582443 /nfs/dbraw/zinc/58/24/43/553582443.db2.gz SIJXHAYISYGVCW-ZLBRTXFESA-N 0 0 514.910 7.171 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000016805374 553582836 /nfs/dbraw/zinc/58/28/36/553582836.db2.gz QVCFOVCSIKGCQD-WYRWUVFZSA-N 0 0 507.700 7.404 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)C2=O)c(C)c1 ZINC000016805480 553582852 /nfs/dbraw/zinc/58/28/52/553582852.db2.gz NYVHCKHLAYPZCA-IZHYLOQSSA-N 0 0 513.644 5.060 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016805541 553583081 /nfs/dbraw/zinc/58/30/81/553583081.db2.gz FDNFTJNQWUYHHY-ANNUQZOISA-N 0 0 515.498 6.319 50 10 KKCARN N=C1/C(=C/c2ccc(OCCOCCOc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000017122927 553588269 /nfs/dbraw/zinc/58/82/69/553588269.db2.gz HFIFFWSUSXALEO-OMWGEVJXSA-N 0 0 511.603 5.465 50 10 KKCARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070672465 553602453 /nfs/dbraw/zinc/60/24/53/553602453.db2.gz MTWOILHVMYQEOR-CFNUTJGKSA-N 0 0 520.629 5.456 50 10 biogenic KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000070687975 553607746 /nfs/dbraw/zinc/60/77/46/553607746.db2.gz JGQDXYKWYJGIPJ-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1 ZINC000018191569 553608133 /nfs/dbraw/zinc/60/81/33/553608133.db2.gz IULWGHVQPFFMLC-SGNDLWITSA-N 0 0 533.502 5.524 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000018249796 553611316 /nfs/dbraw/zinc/61/13/16/553611316.db2.gz JVJGTRBIYMNBEO-CCDWMCETSA-N 0 0 507.929 5.188 50 10 KKCARN Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1c(-c2ccc(Br)cc2)cn2ccccc12 ZINC000019321810 553613062 /nfs/dbraw/zinc/61/30/62/553613062.db2.gz GBKYEZXWDJNJHW-UHFFFAOYSA-N 0 0 554.488 6.797 50 10 KKCARN COc1cc([C@@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000019902800 553632812 /nfs/dbraw/zinc/63/28/12/553632812.db2.gz YDEISYFAMGRJDK-MHZLTWQESA-N 0 0 520.029 5.531 50 10 KKCARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079204177 553669579 /nfs/dbraw/zinc/66/95/79/553669579.db2.gz HZOFJAVOORGTFE-SQAZNZTQSA-N 0 0 699.372 11.445 50 10 biogenic KKCARN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000020059455 553671596 /nfs/dbraw/zinc/67/15/96/553671596.db2.gz MOUVTNGKNDZKHY-DFKUXCBWSA-N 0 0 512.653 8.371 50 10 KKCARN COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000083319178 553676906 /nfs/dbraw/zinc/67/69/06/553676906.db2.gz MFJINOJGJPPLHJ-NSIKDUERSA-N 0 0 503.212 5.765 50 10 KKCARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867559 553687933 /nfs/dbraw/zinc/68/79/33/553687933.db2.gz XTMLICIYPNABCR-FAIIXZJTSA-N 0 0 713.399 11.836 50 10 biogenic KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(CC)c3)ccc21 ZINC000020730820 553691850 /nfs/dbraw/zinc/69/18/50/553691850.db2.gz YFRVXGGGOKBAAE-UHFFFAOYSA-N 0 0 508.776 5.723 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(OC)c3)ccc21 ZINC000020730824 553691860 /nfs/dbraw/zinc/69/18/60/553691860.db2.gz KQSWOLYCTXOWSV-UHFFFAOYSA-N 0 0 510.748 5.169 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(SC)c3)ccc21 ZINC000020730857 553691883 /nfs/dbraw/zinc/69/18/83/553691883.db2.gz KAGBOJLAJGCHQA-UHFFFAOYSA-N 0 0 526.816 5.883 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 ZINC000020114538 553695726 /nfs/dbraw/zinc/69/57/26/553695726.db2.gz AYBRSLCTDDVKAK-JTPDXPAISA-N 0 0 517.032 5.054 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccccc2F)N1 ZINC000020763905 553696446 /nfs/dbraw/zinc/69/64/46/553696446.db2.gz MBKVWAPSQVSDRB-IRLDBZIGSA-N 0 0 504.197 6.279 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000020764752 553696720 /nfs/dbraw/zinc/69/67/20/553696720.db2.gz NMUNCMRMEQVZEP-RBBKRZOGSA-N 0 0 510.646 7.337 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cc(Br)ccc2F)N1 ZINC000020764839 553697019 /nfs/dbraw/zinc/69/70/19/553697019.db2.gz REUYQEFEHSCAHT-WMZHIEFXSA-N 0 0 503.755 5.898 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000095093182 553697572 /nfs/dbraw/zinc/69/75/72/553697572.db2.gz BTJNHAWTSFHBBN-VXKWHMMOSA-N 0 0 524.796 8.049 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000096022130 553719699 /nfs/dbraw/zinc/71/96/99/553719699.db2.gz AXPSWVLPHFQQLH-UHFFFAOYSA-N 0 0 628.141 8.381 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC(=O)c4ccccc4)ccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000096022311 553720813 /nfs/dbraw/zinc/72/08/13/553720813.db2.gz JJRBDTPDTCCNIM-UHFFFAOYSA-N 0 0 631.753 6.421 50 10 KKCARN CCCCOC(=O)c1ccccc1NN=C1c2ccccc2C=C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000022007497 553723004 /nfs/dbraw/zinc/72/30/04/553723004.db2.gz OFVRAFISISJRPV-JEIPZWNWSA-N 0 0 523.549 6.340 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)=O ZINC000096290300 553743350 /nfs/dbraw/zinc/74/33/50/553743350.db2.gz SQASKLDSESFAJJ-MRXNPFEDSA-N 0 0 501.476 5.754 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290298 553743408 /nfs/dbraw/zinc/74/34/08/553743408.db2.gz VGXBUJVLXZVJJC-UHFFFAOYSA-N 0 0 528.637 6.102 50 10 KKCARN CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097944382 553769385 /nfs/dbraw/zinc/76/93/85/553769385.db2.gz BSOPEQQEYYCLRO-MJLBXUHQSA-N 0 0 529.898 5.689 50 10 KKCARN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000097944491 553769777 /nfs/dbraw/zinc/76/97/77/553769777.db2.gz KJYJFMGROMQMPU-NVNXTCNLSA-N 0 0 567.246 7.035 50 10 KKCARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(=O)c4cccc5ccccc54)cc3)SC2=S)cc1 ZINC000097946045 553776092 /nfs/dbraw/zinc/77/60/92/553776092.db2.gz VPDGPDGFNOMLMI-KOEQRZSOSA-N 0 0 524.623 5.914 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000097946088 553776504 /nfs/dbraw/zinc/77/65/04/553776504.db2.gz DGKSDBPGHHRVKE-JLPGSUDCSA-N 0 0 606.726 5.847 50 10 KKCARN Cc1ccc(-c2cc(OC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc3sc(=O)oc32)cc1 ZINC000097946103 553776649 /nfs/dbraw/zinc/77/66/49/553776649.db2.gz LEYZLWAQHSZVPO-UUYOSTAYSA-N 0 0 551.642 6.166 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)cc1 ZINC000097946112 553776659 /nfs/dbraw/zinc/77/66/59/553776659.db2.gz TUIQPUAFCPJQLH-QQPPLYTJSA-N 0 0 561.681 5.775 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 ZINC000097946162 553777128 /nfs/dbraw/zinc/77/71/28/553777128.db2.gz FORAURLCQLKZII-COEJQBHMSA-N 0 0 528.587 7.064 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000097946302 553778190 /nfs/dbraw/zinc/77/81/90/553778190.db2.gz FTTRASDPAHXXGQ-PNEAAFPUSA-N 0 0 667.234 9.659 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000097946359 553778693 /nfs/dbraw/zinc/77/86/93/553778693.db2.gz MATLXPYFIHRYLR-SJIPCVTESA-N 0 0 554.650 7.171 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)SC2=S)cc1OC ZINC000097946355 553778694 /nfs/dbraw/zinc/77/86/94/553778694.db2.gz JEFDZOFAWAGQIN-ONUIUJJFSA-N 0 0 549.670 5.684 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)SC2=S)cc1 ZINC000097946531 553780021 /nfs/dbraw/zinc/78/00/21/553780021.db2.gz QTUORAYEHLGZER-QPLCGJKRSA-N 0 0 543.670 5.069 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)C2=O)c(C)c1 ZINC000097946545 553780208 /nfs/dbraw/zinc/78/02/08/553780208.db2.gz LSBIVBJYRIXDPV-FJLSXJCYSA-N 0 0 527.671 5.621 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCC(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000097946697 553781333 /nfs/dbraw/zinc/78/13/33/553781333.db2.gz AYEUPVSSTVZFRJ-SLMZUGIISA-N 0 0 596.778 5.606 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000097946940 553782350 /nfs/dbraw/zinc/78/23/50/553782350.db2.gz DUKZHPXWVQKUMV-KQWNVCNZSA-N 0 0 566.125 7.226 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000097946923 553782379 /nfs/dbraw/zinc/78/23/79/553782379.db2.gz PZSSJBAOVJFUPP-HMAPJEAMSA-N 0 0 570.544 7.871 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000097946943 553782390 /nfs/dbraw/zinc/78/23/90/553782390.db2.gz INKCOVZKIYNVGC-ITYLOYPMSA-N 0 0 579.707 5.752 50 10 KKCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000097946992 553782811 /nfs/dbraw/zinc/78/28/11/553782811.db2.gz AXVBJAVBVJPIDH-VNSJDZJPSA-N 0 0 577.942 6.593 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O[C@H](NC(=O)c4ccc(C)cc4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1OC ZINC000097946995 553782816 /nfs/dbraw/zinc/78/28/16/553782816.db2.gz FLBLHAUPJUILKV-FBRKSOCZSA-N 0 0 666.048 6.961 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccc(C)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947025 553783134 /nfs/dbraw/zinc/78/31/34/553783134.db2.gz ONMNNAXVADYEAZ-MJLBXUHQSA-N 0 0 529.898 5.721 50 10 KKCARN COc1ccc(-c2cc(OC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc3sc(=O)oc32)cc1 ZINC000097947166 553784150 /nfs/dbraw/zinc/78/41/50/553784150.db2.gz OKEFUBSPBHFJDZ-UUYOSTAYSA-N 0 0 584.096 6.380 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947199 553784479 /nfs/dbraw/zinc/78/44/79/553784479.db2.gz CSFPVKTYOWLCRQ-VYYCAZPPSA-N 0 0 594.589 8.282 50 10 KKCARN Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000097947179 553784513 /nfs/dbraw/zinc/78/45/13/553784513.db2.gz LATJBGTWEAVEOQ-OIHNEICTSA-N 0 0 602.185 5.945 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000097947193 553784536 /nfs/dbraw/zinc/78/45/36/553784536.db2.gz KKIXNVUTKBGWAC-RZCJMRGSSA-N 0 0 573.743 8.081 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947201 553784557 /nfs/dbraw/zinc/78/45/57/553784557.db2.gz AJJONGYPQNHUJW-YSMPRRRNSA-N 0 0 596.561 7.273 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(C(C)(C)C)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097947380 553785843 /nfs/dbraw/zinc/78/58/43/553785843.db2.gz DWSKVKOYQXTFDZ-PLRJNAJWSA-N 0 0 623.760 5.988 50 10 KKCARN Cc1cc(C)c(Nc2ccc(NC(=O)c3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1 ZINC000023485044 553787291 /nfs/dbraw/zinc/78/72/91/553787291.db2.gz JUUBWFSOLSKAKR-UHFFFAOYSA-N 0 0 502.614 7.308 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000097947691 553788105 /nfs/dbraw/zinc/78/81/05/553788105.db2.gz WGJPAQKGNOMGNP-PLRJNAJWSA-N 0 0 577.776 5.120 50 10 KKCARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)Nc1sc3c(c1C(=O)OCC)CCCCCC3)CCCCCC2 ZINC000097948638 553795525 /nfs/dbraw/zinc/79/55/25/553795525.db2.gz LYOWKSOJEYKZHQ-UHFFFAOYSA-N 0 0 588.792 6.838 50 10 KKCARN COc1cccc(C2=NN(C(=O)c3cc4nc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@H](c3ccccc3O)C2)c1 ZINC000097948717 553796010 /nfs/dbraw/zinc/79/60/10/553796010.db2.gz BGQHRDGAIZRKSE-NRFANRHFSA-N 0 0 598.006 6.836 50 10 KKCARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097948811 553796932 /nfs/dbraw/zinc/79/69/32/553796932.db2.gz ATPKFMDOVNEAME-HHHXNRCGSA-N 0 0 604.884 6.813 50 10 KKCARN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C(c5ccc(Cl)c(Cl)c5)C[C@@H]4c4ccccc4O)cc3n2)cc1 ZINC000097949065 553799057 /nfs/dbraw/zinc/79/90/57/553799057.db2.gz CUGWXXWJRBGHFB-HHHXNRCGSA-N 0 0 638.477 8.542 50 10 KKCARN Cc1cccc(Nc2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000097951031 553806769 /nfs/dbraw/zinc/80/67/69/553806769.db2.gz KVVMFFKGNCYKSH-UHFFFAOYSA-N 0 0 544.611 6.142 50 10 KKCARN CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025578524 553811180 /nfs/dbraw/zinc/81/11/80/553811180.db2.gz MBBQXROXFPTUOS-LADGPHEKSA-N 0 0 517.254 7.064 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)cc1O)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000097952101 553813272 /nfs/dbraw/zinc/81/32/72/553813272.db2.gz TXZVTZYQXSDHIW-PMERELPUSA-N 0 0 540.627 7.004 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000026532210 553819130 /nfs/dbraw/zinc/81/91/30/553819130.db2.gz KLTAKNVTWVWHGX-AOUKMLRZSA-N 0 0 516.667 5.798 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 ZINC000026680989 553820040 /nfs/dbraw/zinc/82/00/40/553820040.db2.gz WZQIPHWKNRPDIA-ZFLDZKHDSA-N 0 0 512.591 5.129 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1C ZINC000026687356 553820417 /nfs/dbraw/zinc/82/04/17/553820417.db2.gz GJPIEPOQHXDRAX-PJIZFRNJSA-N 0 0 530.694 6.106 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)SC1=S ZINC000027018142 553823400 /nfs/dbraw/zinc/82/34/00/553823400.db2.gz XENIJYSCPIVHND-KQWNVCNZSA-N 0 0 522.652 6.238 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000027018360 553823403 /nfs/dbraw/zinc/82/34/03/553823403.db2.gz PLSXGEHRUONGMO-WQUKECCVSA-N 0 0 516.667 5.716 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1C ZINC000027018684 553823767 /nfs/dbraw/zinc/82/37/67/553823767.db2.gz COKGIDOXMYRBPK-XHPQRKPJSA-N 0 0 500.668 6.483 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccco2)cc1 ZINC000027026912 553824870 /nfs/dbraw/zinc/82/48/70/553824870.db2.gz MSLOIRKUYMJHOX-DIBXZPPDSA-N 0 0 516.626 7.019 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000027026455 553824885 /nfs/dbraw/zinc/82/48/85/553824885.db2.gz HXJDNMIIICMFTK-OIADIFTFSA-N 0 0 523.727 7.934 50 10 KKCARN CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)ccc1Cl ZINC000027501377 553826715 /nfs/dbraw/zinc/82/67/15/553826715.db2.gz XSHAVHOOKUNKCG-CPNJWEJPSA-N 0 0 502.876 6.602 50 10 KKCARN CCN1C(=O)/C(=C/C=C2/N(C)c3cc(Cl)c(Cl)cc3N2CCOc2ccccc2)SC1=S ZINC000027520458 553827012 /nfs/dbraw/zinc/82/70/12/553827012.db2.gz NXSWXBMHANTKPR-UPVMUGGESA-N 0 0 506.480 5.934 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2C)cc1 ZINC000027521057 553827357 /nfs/dbraw/zinc/82/73/57/553827357.db2.gz NTWABIVZJAMRFP-BWAHOGKJSA-N 0 0 503.440 7.079 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000027521550 553827683 /nfs/dbraw/zinc/82/76/83/553827683.db2.gz APMKZWGQTVVWOG-NHFJDJAPSA-N 0 0 515.610 5.128 50 10 KKCARN Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccccc2F)N=C1c1ccc(Br)cc1 ZINC000097955548 553831271 /nfs/dbraw/zinc/83/12/71/553831271.db2.gz KVWMNDKYGGWWLE-MOSHPQCFSA-N 0 0 561.192 6.336 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)ccc3OCCOc3cc(C)ccc3C(C)C)C2=N)S1 ZINC000027531189 553832038 /nfs/dbraw/zinc/83/20/38/553832038.db2.gz XABNUKHZRZPSRK-PPIATVRMSA-N 0 0 511.047 6.259 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)cc3)C2=N)S1 ZINC000027533801 553832282 /nfs/dbraw/zinc/83/22/82/553832282.db2.gz IIEKNZBTZVWKGH-VHARHKTESA-N 0 0 513.417 5.326 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)c(OC)c3)C2=N)S1 ZINC000027549426 553833770 /nfs/dbraw/zinc/83/37/70/553833770.db2.gz UDSDVDBVCUJKGF-SDQAEVJQSA-N 0 0 527.046 5.924 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)cc4C)c(OC)c3)C2=N)S1 ZINC000027549781 553834103 /nfs/dbraw/zinc/83/41/03/553834103.db2.gz OIUAPWSFEWJOPX-OURWUAPHSA-N 0 0 513.019 5.452 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000027549914 553834393 /nfs/dbraw/zinc/83/43/93/553834393.db2.gz HEJFSQFCJUBQBI-HHTSZTKCSA-N 0 0 527.046 5.698 50 10 KKCARN CCC(=C\c1sc2ccc(-c3ccccc3)cc2[n+]1CC)/C=C1\Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-] ZINC000097955907 553834823 /nfs/dbraw/zinc/83/48/23/553834823.db2.gz ZTLDJTYZXQXURP-UHFFFAOYSA-O 0 0 639.888 9.068 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1Br ZINC000097957713 553847659 /nfs/dbraw/zinc/84/76/59/553847659.db2.gz HGBLZVQOSZWWMP-USJMLKOBSA-N 0 0 553.482 5.390 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1Br ZINC000097957712 553847733 /nfs/dbraw/zinc/84/77/33/553847733.db2.gz HGBLZVQOSZWWMP-RABNJEPRSA-N 0 0 553.482 5.390 50 10 KKCARN CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097958044 553850888 /nfs/dbraw/zinc/85/08/88/553850888.db2.gz VSPALMKZSHARMY-ANYBSYGZSA-N 0 0 582.187 8.158 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958162 553851729 /nfs/dbraw/zinc/85/17/29/553851729.db2.gz POIWVBLTJFOJHY-CKRIPVJPSA-N 0 0 560.598 6.022 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958177 553852083 /nfs/dbraw/zinc/85/20/83/553852083.db2.gz VOEDTYNLAZFFBT-GTPVNSMRSA-N 0 0 560.720 6.650 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C(C)C ZINC000097958519 553855565 /nfs/dbraw/zinc/85/55/65/553855565.db2.gz VHWFEPRHCGQFOP-VUTHCHCSSA-N 0 0 596.214 8.420 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000097958562 553855872 /nfs/dbraw/zinc/85/58/72/553855872.db2.gz DXLHOIPEMSHGQD-PXRNLIKFSA-N 0 0 531.037 6.294 50 10 KKCARN COc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1OC ZINC000097958665 553856821 /nfs/dbraw/zinc/85/68/21/553856821.db2.gz GLDVVPGTXDQWOB-IYTGCVATSA-N 0 0 621.513 5.786 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1 ZINC000097958664 553856863 /nfs/dbraw/zinc/85/68/63/553856863.db2.gz NUJPMHPZSVULIX-MGKZEPQOSA-N 0 0 567.092 6.234 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000097958715 553857111 /nfs/dbraw/zinc/85/71/11/553857111.db2.gz QQIGKQOBHWEGQM-PZXCARDKSA-N 0 0 582.726 6.951 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000097958740 553857348 /nfs/dbraw/zinc/85/73/48/553857348.db2.gz VINAMDWCPUZLOD-UYYRNVLQSA-N 0 0 589.117 6.789 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000097958766 553857418 /nfs/dbraw/zinc/85/74/18/553857418.db2.gz VALBLOSNFHFLSL-ZHSAXHDMSA-N 0 0 591.487 5.891 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097958799 553857626 /nfs/dbraw/zinc/85/76/26/553857626.db2.gz FVZNGJMKVIHIFT-XHLNEMQHSA-N 0 0 561.769 7.632 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097958802 553857676 /nfs/dbraw/zinc/85/76/76/553857676.db2.gz PWQBQIKSEJHTLY-DNRRMPEUSA-N 0 0 587.927 6.890 50 10 KKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(C5CCCCC5)cc4)c4ccccc34)C2=N)S1 ZINC000097958894 553858761 /nfs/dbraw/zinc/85/87/61/553858761.db2.gz MPTJWCMOCNOYTJ-FBYMBKKWSA-N 0 0 539.705 7.043 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000097958927 553859022 /nfs/dbraw/zinc/85/90/22/553859022.db2.gz AOOFRROQFRMAOQ-HWXRLCQTSA-N 0 0 538.673 6.634 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccc([C@@H](C)CC)cc1 ZINC000097958976 553859406 /nfs/dbraw/zinc/85/94/06/553859406.db2.gz FTVDFIINGNYALP-KHCKMINHSA-N 0 0 534.143 7.321 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000097959098 553860753 /nfs/dbraw/zinc/86/07/53/553860753.db2.gz PHOOUTCBCLRKHE-URDSPAQOSA-N 0 0 577.888 5.988 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000097959132 553861133 /nfs/dbraw/zinc/86/11/33/553861133.db2.gz BZQZXXIEDZJIHA-VUTHCHCSSA-N 0 0 547.742 7.376 50 10 KKCARN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000030952372 553861190 /nfs/dbraw/zinc/86/11/90/553861190.db2.gz XPMAPNKYTLIUGO-DVKULTFGSA-N 0 0 501.782 6.574 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000097959409 553863640 /nfs/dbraw/zinc/86/36/40/553863640.db2.gz BERAAPMONLYQPZ-NLRVBDNBSA-N 0 0 540.106 6.988 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000097959442 553863659 /nfs/dbraw/zinc/86/36/59/553863659.db2.gz QKWOBMLCEJCYMW-PSOJVXFXSA-N 0 0 584.698 6.248 50 10 KKCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000032121197 553865565 /nfs/dbraw/zinc/86/55/65/553865565.db2.gz WZQFJMQPNAYLGP-FGTGLDNXSA-N 0 0 530.734 6.002 50 10 KKCARN COC(=O)c1cc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)ccc1Cl ZINC000097960944 553874406 /nfs/dbraw/zinc/87/44/06/553874406.db2.gz VQELSDLTJIBNDK-AQTBWJFISA-N 0 0 550.825 8.165 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2cc(C)ccc2n1CCOc1ccc(C)cc1 ZINC000097962008 553882276 /nfs/dbraw/zinc/88/22/76/553882276.db2.gz NQHIAUDJTZNERC-MRAGLGCYSA-N 0 0 525.556 5.827 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S)c1ccccc1 ZINC000097962096 553883056 /nfs/dbraw/zinc/88/30/56/553883056.db2.gz KWESFIWGIMGTDO-KGENOOAVSA-N 0 0 525.449 5.574 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000097962208 553883520 /nfs/dbraw/zinc/88/35/20/553883520.db2.gz JGFIRIHGYDKCNC-ODCIPOBUSA-N 0 0 633.775 8.542 50 10 KKCARN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000097962202 553883558 /nfs/dbraw/zinc/88/35/58/553883558.db2.gz HKNUQYWGGSVOBI-CAOOACKPSA-N 0 0 560.850 5.598 50 10 KKCARN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000097962211 553883912 /nfs/dbraw/zinc/88/39/12/553883912.db2.gz JEIFNIDCPATYJP-LHHJGKSTSA-N 0 0 631.657 6.103 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000097962221 553883892 /nfs/dbraw/zinc/88/38/92/553883892.db2.gz VZBUYXMQWVLOFZ-UFFVCSGVSA-N 0 0 643.781 7.998 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OC(=O)c1oc2ccccc2c1C ZINC000097962755 553885377 /nfs/dbraw/zinc/88/53/77/553885377.db2.gz QURUWVRIANQSJW-VEILYXNESA-N 0 0 603.718 6.820 50 10 KKCARN CCN1c2ccccc2SC1=c1sc(=C2C(=O)N(c3ccccc3)N=C2Nc2cccc(Br)c2)n(CC)c1=O ZINC000097964010 553895728 /nfs/dbraw/zinc/89/57/28/553895728.db2.gz IDMIJQZRZUXIER-ABHBNJMISA-N 0 0 618.582 5.013 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(C)ccc1C)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051203 553896030 /nfs/dbraw/zinc/89/60/30/553896030.db2.gz OGJLTHIMANQRLC-HKBQPEDESA-N 0 0 530.676 6.791 50 10 KKCARN O=C1/C(=C\c2cc(Br)ccc2OCc2c(F)cccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000097964120 553896606 /nfs/dbraw/zinc/89/66/06/553896606.db2.gz PVPOKTGMXCRZFS-UFFVCSGVSA-N 0 0 552.849 7.366 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964342 553897476 /nfs/dbraw/zinc/89/74/76/553897476.db2.gz IGYVEXDINWQHBW-FBYMBKKWSA-N 0 0 565.724 6.929 50 10 KKCARN Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1 ZINC000097964928 553901923 /nfs/dbraw/zinc/90/19/23/553901923.db2.gz ZHQNLFMKNHVNDM-WXZOIDFBSA-N 0 0 577.710 6.734 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc(-c4ccccc4)nc4ccccc42)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965105 553902874 /nfs/dbraw/zinc/90/28/74/553902874.db2.gz ZTWWPEIOZQTTCH-PMRPKVQPSA-N 0 0 605.786 8.471 50 10 KKCARN O=C(NCCCCCCNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097965637 553905768 /nfs/dbraw/zinc/90/57/68/553905768.db2.gz OFEWGIVHSQFAQO-HVMBLDELSA-N 0 0 562.678 9.021 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000097966231 553907651 /nfs/dbraw/zinc/90/76/51/553907651.db2.gz ZFZHMYWOESOTJZ-FMDXRXRPSA-N 0 0 554.075 6.658 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Br)cc1 ZINC000097966422 553908687 /nfs/dbraw/zinc/90/86/87/553908687.db2.gz JQXUFCQSAXYAMJ-DEDYPNTBSA-N 0 0 616.511 6.620 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000097966451 553909015 /nfs/dbraw/zinc/90/90/15/553909015.db2.gz YRLDYKYVNSHPQF-DQIQZUARSA-N 0 0 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O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCc1ccccc1 ZINC000033352803 553922475 /nfs/dbraw/zinc/92/24/75/553922475.db2.gz WAAWVYKKMAZCST-JJIBRWJFSA-N 0 0 502.064 6.637 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000033353786 553927051 /nfs/dbraw/zinc/92/70/51/553927051.db2.gz VTKAVJKJJSEDDM-ABTBVNDJSA-N 0 0 655.312 5.549 50 10 KKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(I)cc1 ZINC000033354016 553928130 /nfs/dbraw/zinc/92/81/30/553928130.db2.gz ZTASSQUSNNQIRE-OVCLIPMQSA-N 0 0 521.232 5.869 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccccc1Cl ZINC000033355362 553934432 /nfs/dbraw/zinc/93/44/32/553934432.db2.gz DIIKLWQGEAIVON-PDGQHHTCSA-N 0 0 560.099 6.433 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000097970425 553953823 /nfs/dbraw/zinc/95/38/23/553953823.db2.gz REMXTNRXFBAHLY-HYARGMPZSA-N 0 0 552.405 7.065 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000033358232 553953946 /nfs/dbraw/zinc/95/39/46/553953946.db2.gz DHKBUMFBNWOQQG-LAKKEJQSSA-N 0 0 664.230 9.830 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)cc(C)c3N(C(=O)CSc3nc4ccccc4s3)C(C)(C)C2=S)S1 ZINC000033358402 553955540 /nfs/dbraw/zinc/95/55/40/553955540.db2.gz NFEVCDOWWLKRBY-UHFFFAOYSA-N 0 0 642.871 6.907 50 10 KKCARN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCC1 ZINC000033358616 553957143 /nfs/dbraw/zinc/95/71/43/553957143.db2.gz ZFMGEPZDDCDGDY-SRZZPIQSSA-N 0 0 557.362 7.869 50 10 KKCARN CC[C@@H](C)c1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1 ZINC000033386904 553958142 /nfs/dbraw/zinc/95/81/42/553958142.db2.gz QGORYCBWFVUVRU-DGPWCYEXSA-N 0 0 513.667 6.509 50 10 KKCARN O=c1/c(=C\c2ccc(N3CCOCC3)cc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000097970791 553958590 /nfs/dbraw/zinc/95/85/90/553958590.db2.gz AUGJJWXGRDOKQL-UCIQFCIPSA-N 0 0 614.598 6.626 50 10 KKCARN COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C ZINC000033397316 553958749 /nfs/dbraw/zinc/95/87/49/553958749.db2.gz PLTCJEDKEGBJHO-VTGHKQSHSA-N 0 0 501.637 5.613 50 10 KKCARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C/c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000097970857 553958810 /nfs/dbraw/zinc/95/88/10/553958810.db2.gz GXOAWPXEZVILEW-PIYKYIASSA-N 0 0 576.766 5.623 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(Br)cc4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097970869 553959251 /nfs/dbraw/zinc/95/92/51/553959251.db2.gz WRXJZABTRHJBGO-CJFQQIECSA-N 0 0 625.636 6.377 50 10 KKCARN Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccc(-c5nc6cc(Oc7ccc(N)cc7)ccc6nc5-c5ccccc5)cc4)nc3c2)cc1 ZINC000097976893 553973070 /nfs/dbraw/zinc/97/30/70/553973070.db2.gz IDFRHSHMZWCQOG-UHFFFAOYSA-N 0 0 700.802 10.990 50 10 KKCARN CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000033826950 553974699 /nfs/dbraw/zinc/97/46/99/553974699.db2.gz IAFRTWVUXUTWMQ-DSNGMDLFSA-N 0 0 516.366 5.611 50 10 KKCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000033859356 553975212 /nfs/dbraw/zinc/97/52/12/553975212.db2.gz WZQFJMQPNAYLGP-KZMJUZBZSA-N 0 0 530.734 6.002 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033853218 553975221 /nfs/dbraw/zinc/97/52/21/553975221.db2.gz ULUNLLBIEPYRMT-NGDRWEMDSA-N 0 0 513.568 6.450 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 ZINC000033888043 553976007 /nfs/dbraw/zinc/97/60/07/553976007.db2.gz YAIFETDIWCHSDR-VYDHRHICSA-N 0 0 514.597 6.758 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4ccccc4nc4c3CCCC4=Cc3ccc(OC)c(OC)c3)c2C)cc1 ZINC000097979516 553980052 /nfs/dbraw/zinc/98/00/52/553980052.db2.gz BOCHLQPJMLOIJA-NHFJDJAPSA-N 0 0 644.724 7.363 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C=C(c3nc4ccccc4s3)c3nc4ccccc4s3)c2C)cc1 ZINC000097983476 554009800 /nfs/dbraw/zinc/00/98/00/554009800.db2.gz ZOLOCYFWWNUZDB-UHFFFAOYSA-N 0 0 535.694 8.079 50 10 KKCARN CCCCCCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(CCCCCC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000097996955 554038963 /nfs/dbraw/zinc/03/89/63/554038963.db2.gz ASMQAHPEDYLEGX-UHFFFAOYSA-N 0 0 614.786 9.212 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000035252190 554042474 /nfs/dbraw/zinc/04/24/74/554042474.db2.gz XPXBDJVHJHKEFN-WNFQYIGGSA-N 0 0 509.817 7.430 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)/C=C/c4ccccc4)CC3)c(C)n2-c2ccccc2)cc1 ZINC000035836718 554080127 /nfs/dbraw/zinc/08/01/27/554080127.db2.gz NHMUVTOZXLGWTG-QGOAFFKASA-N 0 0 505.618 5.459 50 10 KKCARN COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000035843145 554081660 /nfs/dbraw/zinc/08/16/60/554081660.db2.gz DSYYNVWUYZRJKO-SMIHKQSGSA-N 0 0 504.369 5.600 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000035843231 554081655 /nfs/dbraw/zinc/08/16/55/554081655.db2.gz QDIGPKQZQDMXSY-PKTNWEFCSA-N 0 0 500.529 5.537 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035848341 554083624 /nfs/dbraw/zinc/08/36/24/554083624.db2.gz LLWSUTAUSNSZOE-IWWXRALLSA-N 0 0 523.632 7.126 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCc5ccccc5)c4)nc(C)c3C)CC2)cc1 ZINC000098015312 554097824 /nfs/dbraw/zinc/09/78/24/554097824.db2.gz HCYMTGXKXIEETO-UHFFFAOYSA-N 0 0 553.732 5.651 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(I)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccccc1 ZINC000098048830 554162095 /nfs/dbraw/zinc/16/20/95/554162095.db2.gz MWUMABFFXNCEIA-FYBSXPHGSA-N 0 0 610.403 6.030 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)c3ccc(Cl)cc3Cl)C(C)(C)C2=S)S1 ZINC000098048860 554162183 /nfs/dbraw/zinc/16/21/83/554162183.db2.gz HHDFQSDKAOGECW-UHFFFAOYSA-N 0 0 594.563 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6.904 50 10 KKCARN O=C1C2=C(/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000100083964 554208182 /nfs/dbraw/zinc/20/81/82/554208182.db2.gz MFJKDAIQWZECHN-KUAKTGBJSA-N 0 0 577.434 6.650 50 10 KKCARN CCC(CC)C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000100114850 554222890 /nfs/dbraw/zinc/22/28/90/554222890.db2.gz PERRHKGYTMKMJZ-UHFFFAOYSA-N 0 0 535.709 5.333 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000100120872 554224136 /nfs/dbraw/zinc/22/41/36/554224136.db2.gz ZMNPSEVWJBDGSK-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(C)(C)C2=S)S1 ZINC000100127344 554224983 /nfs/dbraw/zinc/22/49/83/554224983.db2.gz UDJSQZSFQUQOIB-UKTHLTGXSA-N 0 0 596.708 5.818 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccco2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423045 554243463 /nfs/dbraw/zinc/24/34/63/554243463.db2.gz ICFCHBIWGQTISH-UHFFFAOYSA-N 0 0 514.644 5.201 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1Br ZINC000100191899 554244869 /nfs/dbraw/zinc/24/48/69/554244869.db2.gz QBGZWIUZHXPGIN-XMHGGMMESA-N 0 0 537.240 8.487 50 10 KKCARN CCCCC1([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000100207122 554248326 /nfs/dbraw/zinc/24/83/26/554248326.db2.gz VXVMSBMYLDLKSC-AREMUKBSSA-N 0 0 509.606 5.355 50 10 KKCARN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100228651 554254376 /nfs/dbraw/zinc/25/43/76/554254376.db2.gz RNTVTKPAMVUUOV-UHFFFAOYSA-N 0 0 617.496 6.924 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100229266 554254610 /nfs/dbraw/zinc/25/46/10/554254610.db2.gz WJEKZHZSJBATTN-ULJHMMPZSA-N 0 0 522.604 5.857 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000100241658 554260764 /nfs/dbraw/zinc/26/07/64/554260764.db2.gz FOIODMJAVWCVDY-YWFITGJYSA-N 0 0 545.897 5.702 50 10 KKCARN O=C1/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260470 554265578 /nfs/dbraw/zinc/26/55/78/554265578.db2.gz VGVOANNLKGPRBF-NHDPSOOVSA-N 0 0 522.425 7.252 50 10 KKCARN N=C1/C(=C/c2ccc(OCCOc3ccc(C4CCCCC4)cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100267410 554267388 /nfs/dbraw/zinc/26/73/88/554267388.db2.gz PJUKDVCXTPZZQR-JZUABAFBSA-N 0 0 549.696 7.496 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000100267592 554267631 /nfs/dbraw/zinc/26/76/31/554267631.db2.gz KWHWRRPLICGBMG-YQXCQQHNSA-N 0 0 536.440 6.885 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100268807 554268465 /nfs/dbraw/zinc/26/84/65/554268465.db2.gz BNWWVCFXPBNSGB-BRPDVVIDSA-N 0 0 594.198 8.256 50 10 KKCARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1cc(C)ccc1C(C)C ZINC000100269636 554268477 /nfs/dbraw/zinc/26/84/77/554268477.db2.gz XDEPVAOETWTVQQ-NDENLUEZSA-N 0 0 569.486 5.678 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000100268815 554268492 /nfs/dbraw/zinc/26/84/92/554268492.db2.gz XVFOTCGYKVXBIU-PKAZHMFMSA-N 0 0 568.160 7.640 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100268879 554268619 /nfs/dbraw/zinc/26/86/19/554268619.db2.gz KCXWQSUEDUHTCV-JLPGSUDCSA-N 0 0 522.604 5.463 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100268802 554268635 /nfs/dbraw/zinc/26/86/35/554268635.db2.gz ZASJPQAQNLOLAX-ITYLOYPMSA-N 0 0 568.160 7.505 50 10 KKCARN O=C(Oc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@H]3C=CC[C@H]32)cc1)c1ccccc1 ZINC000038570257 554275227 /nfs/dbraw/zinc/27/52/27/554275227.db2.gz KJNCQIRAYDKECF-UOPXPVPXSA-N 0 0 501.670 8.200 50 10 KKCARN COc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2cc(Cl)ccc2C)cc1Br ZINC000100285862 554279885 /nfs/dbraw/zinc/27/98/85/554279885.db2.gz GAEVTCANVLDDJY-JAIQZWGSSA-N 0 0 526.774 6.162 50 10 KKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000039948956 554281675 /nfs/dbraw/zinc/28/16/75/554281675.db2.gz RCIFSGBLDMSEQU-PUMYGXPMSA-N 0 0 516.065 6.154 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccccc1C ZINC000100299581 554290396 /nfs/dbraw/zinc/29/03/96/554290396.db2.gz HALHYJGCYCEZKO-UQQQWYQISA-N 0 0 571.680 5.426 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000100300385 554290794 /nfs/dbraw/zinc/29/07/94/554290794.db2.gz KDRUJIHFVKUZLD-YBFXNURJSA-N 0 0 521.563 6.401 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1OC ZINC000100308618 554297262 /nfs/dbraw/zinc/29/72/62/554297262.db2.gz CNNBKPLNJFRFMI-PCLIKHOPSA-N 0 0 580.640 5.284 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100311403 554300873 /nfs/dbraw/zinc/30/08/73/554300873.db2.gz KEZKOFVNKDTUKK-LSHDLFTRSA-N 0 0 520.434 7.126 50 10 KKCARN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000100318497 554303853 /nfs/dbraw/zinc/30/38/53/554303853.db2.gz WWTDOFJQHLPPGA-UBKPWBPPSA-N 0 0 607.729 5.831 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000100319321 554304208 /nfs/dbraw/zinc/30/42/08/554304208.db2.gz PVGCAMIRCIWGMM-LSHDLFTRSA-N 0 0 574.011 5.819 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100325264 554309122 /nfs/dbraw/zinc/30/91/22/554309122.db2.gz DBJFVCRZJCLKIT-ZVHZXABRSA-N 0 0 599.528 7.358 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000100325453 554309501 /nfs/dbraw/zinc/30/95/01/554309501.db2.gz RBZAWNVNYOEPIT-SRZZPIQSSA-N 0 0 581.340 7.749 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000100325863 554309976 /nfs/dbraw/zinc/30/99/76/554309976.db2.gz UFZCLHVJSWTJCG-WGOQTCKBSA-N 0 0 548.686 6.134 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100325902 554310036 /nfs/dbraw/zinc/31/00/36/554310036.db2.gz SSJLKDMRDNHPOE-ZVHZXABRSA-N 0 0 588.976 8.103 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)cc1C ZINC000100327039 554310479 /nfs/dbraw/zinc/31/04/79/554310479.db2.gz ZFLWFHYBTAFLAH-YDZHTSKRSA-N 0 0 544.923 7.704 50 10 KKCARN CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c1 ZINC000100339492 554324291 /nfs/dbraw/zinc/32/42/91/554324291.db2.gz HKOYIWDCEVYBKJ-FSJBWODESA-N 0 0 536.675 5.572 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100341745 554326286 /nfs/dbraw/zinc/32/62/86/554326286.db2.gz SXAZDJLXEDBOPW-LPYMAVHISA-N 0 0 544.467 6.890 50 10 KKCARN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S ZINC000100342528 554327569 /nfs/dbraw/zinc/32/75/69/554327569.db2.gz MBYPYSLWIRLTJE-CIAFOILYSA-N 0 0 593.337 7.644 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)n1c(SCc2ccccc2)nc2ccccc21 ZINC000050704976 554327600 /nfs/dbraw/zinc/32/76/00/554327600.db2.gz ZMLVTAFLDXIKFG-QNGOZBTKSA-N 0 0 521.714 6.322 50 10 KKCARN COc1ccc(-n2c(S[C@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nc3ccccc32)cc1 ZINC000051103383 554328848 /nfs/dbraw/zinc/32/88/48/554328848.db2.gz RWXKQKWNBCJGFU-HXUWFJFHSA-N 0 0 547.627 7.407 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363919 554346457 /nfs/dbraw/zinc/34/64/57/554346457.db2.gz QCEVUZMPGRDYOK-FQRUVTKNSA-N 0 0 525.399 5.513 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)cc1Br ZINC000053363937 554346538 /nfs/dbraw/zinc/34/65/38/554346538.db2.gz COUOFIUOWAZUGQ-RDPSFJRHSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364223 554346725 /nfs/dbraw/zinc/34/67/25/554346725.db2.gz KABVVKWIZYDSGX-WNCULLNHSA-N 0 0 525.443 6.183 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364103 554346731 /nfs/dbraw/zinc/34/67/31/554346731.db2.gz OAHHSKRIWHSQHN-SQJMNOBHSA-N 0 0 560.286 6.547 50 10 KKCARN COc1ccc(Br)cc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000053364120 554346687 /nfs/dbraw/zinc/34/66/87/554346687.db2.gz OHJZBWPCQYHKJM-CYFREDJKSA-N 0 0 560.242 5.877 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364363 554346931 /nfs/dbraw/zinc/34/69/31/554346931.db2.gz XBTOEHPNJCAMMY-UPVQGACJSA-N 0 0 532.251 6.841 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000053364519 554346970 /nfs/dbraw/zinc/34/69/70/554346970.db2.gz ILURMRDPEDIQAK-IRLDBZIGSA-N 0 0 583.093 7.041 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364338 554347018 /nfs/dbraw/zinc/34/70/18/554347018.db2.gz QJKBWCLVOQPNDN-ISKFKSNPSA-N 0 0 504.255 7.246 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364768 554347293 /nfs/dbraw/zinc/34/72/93/554347293.db2.gz YEXOXMYBKKNEMF-RDGATRHJSA-N 0 0 544.287 6.711 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3cc(Br)ccc3F)N2)c1O ZINC000053364752 554347319 /nfs/dbraw/zinc/34/73/19/554347319.db2.gz OMDBOONOQAZYJE-XUZZJYLKSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364948 554347577 /nfs/dbraw/zinc/34/75/77/554347577.db2.gz ZVKCXJKAQZQBJU-XUZZJYLKSA-N 0 0 548.250 6.678 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cccc(C)c3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000100365290 554351147 /nfs/dbraw/zinc/35/11/47/554351147.db2.gz VNXHNDZENRLFSU-UHFFFAOYSA-N 0 0 571.717 6.429 50 10 KKCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1c(Br)cc(Br)cc1Br ZINC000100370453 554356174 /nfs/dbraw/zinc/35/61/74/554356174.db2.gz SORNSTKZKQJTIW-UKTHLTGXSA-N 0 0 530.083 6.493 50 10 KKCARN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000100379064 554361706 /nfs/dbraw/zinc/36/17/06/554361706.db2.gz CXNVZFKOIOGNGI-ZVHZXABRSA-N 0 0 529.555 6.854 50 10 KKCARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000100414204 554378344 /nfs/dbraw/zinc/37/83/44/554378344.db2.gz AFEBCXQEDIVCCZ-VJBWXMMDSA-N 0 0 520.368 5.305 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000100414457 554378919 /nfs/dbraw/zinc/37/89/19/554378919.db2.gz SVTOWKUKWKAKSV-GMQQYTKMSA-N 0 0 549.966 5.827 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Oc5ccc(Cl)cc5)cc4)C(=O)[C@H]23)cc1 ZINC000100414470 554378956 /nfs/dbraw/zinc/37/89/56/554378956.db2.gz ZIVSOIYCCBEZCJ-KCHLEUMXSA-N 0 0 563.993 6.136 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000100414856 554379951 /nfs/dbraw/zinc/37/99/51/554379951.db2.gz DJCMWCWCHAJWAP-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000100414858 554380021 /nfs/dbraw/zinc/38/00/21/554380021.db2.gz DJCMWCWCHAJWAP-NJYVYQBISA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000100415065 554380550 /nfs/dbraw/zinc/38/05/50/554380550.db2.gz IXOYMYPAEHFQCB-HBMCJLEFSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415397 554381599 /nfs/dbraw/zinc/38/15/99/554381599.db2.gz YUFLAILITWSYGG-ACRUOGEOSA-N 0 0 570.317 5.163 50 10 KKCARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000100425361 554386304 /nfs/dbraw/zinc/38/63/04/554386304.db2.gz BTCAUABYJCBUGL-HPMVVLTCSA-N 0 0 548.086 8.270 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000059503901 554400314 /nfs/dbraw/zinc/40/03/14/554400314.db2.gz DVPRWLYYKMFYMT-ZWXJPIIXSA-N 0 0 553.703 5.666 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cc(OC)c(OC)cc3OC)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000059731891 554426821 /nfs/dbraw/zinc/42/68/21/554426821.db2.gz AIQJEIMZVOZSIB-UHFFFAOYSA-N 0 0 585.679 5.170 50 10 KKCARN O=C1/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000059821305 554431278 /nfs/dbraw/zinc/43/12/78/554431278.db2.gz PXZIYAPESSFIQZ-YLYNJTJBSA-N 0 0 559.738 5.431 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000059821805 554431455 /nfs/dbraw/zinc/43/14/55/554431455.db2.gz ASCHRUVDIVOANQ-OEAKJJBVSA-N 0 0 520.588 5.614 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCCOc1ccccc1C ZINC000100605985 554432270 /nfs/dbraw/zinc/43/22/70/554432270.db2.gz KYSQJKXVNKRLBO-ZHZULCJRSA-N 0 0 569.486 5.677 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1 ZINC000100635114 554435795 /nfs/dbraw/zinc/43/57/95/554435795.db2.gz IULWGHVQPFFMLC-HJOGWXRNSA-N 0 0 533.502 5.524 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000100642145 554436027 /nfs/dbraw/zinc/43/60/27/554436027.db2.gz OPUVFBIPEXSWRD-ADZLKVMLSA-N 0 0 557.470 5.643 50 10 KKCARN CCCCCCOc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c3ccccc32)cc1 ZINC000100642316 554436245 /nfs/dbraw/zinc/43/62/45/554436245.db2.gz LCCLOHCDXYLSAZ-IUWMJDHMSA-N 0 0 543.693 6.709 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cccc(C(F)(F)F)c5)c(C)c43)CC2)cc1 ZINC000100664720 554439652 /nfs/dbraw/zinc/43/96/52/554439652.db2.gz ZCUYHIKJEVFMAE-UHFFFAOYSA-N 0 0 527.572 5.606 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000100666771 554440178 /nfs/dbraw/zinc/44/01/78/554440178.db2.gz UIPQUAQDHMEFTH-GCKPTEBQSA-N 0 0 576.597 5.358 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000100681871 554447860 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/nfs/dbraw/zinc/54/29/90/554542990.db2.gz CAEOJQLDXOEADA-LXQNXJGFSA-N 0 0 512.565 5.500 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000100971220 554543629 /nfs/dbraw/zinc/54/36/29/554543629.db2.gz DZKWSKXFSAZSFJ-GMQQYTKMSA-N 0 0 532.577 5.973 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000100999765 554552023 /nfs/dbraw/zinc/55/20/23/554552023.db2.gz WLCOWUJHAPHKQB-VJGNERBWSA-N 0 0 522.601 5.241 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000101029031 554564583 /nfs/dbraw/zinc/56/45/83/554564583.db2.gz ZDOBWZJPTMWKKE-ITYLOYPMSA-N 0 0 535.113 7.074 50 10 KKCARN N=C1/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101035461 554565562 /nfs/dbraw/zinc/56/55/62/554565562.db2.gz LHDZFYKAFUDTJC-XMAMPMLTSA-N 0 0 541.036 5.826 50 10 KKCARN Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Br)c1 ZINC000101062410 554570360 /nfs/dbraw/zinc/57/03/60/554570360.db2.gz JTRWBKPHSKQMDA-HIHWOFHQSA-N 0 0 532.423 5.399 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101062400 554570389 /nfs/dbraw/zinc/57/03/89/554570389.db2.gz GELQZQFKXFORNA-QINSIFAXSA-N 0 0 542.835 6.288 50 10 KKCARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000101071286 554575495 /nfs/dbraw/zinc/57/54/95/554575495.db2.gz MSSKZRDFBNMVOH-DSNGMDLFSA-N 0 0 557.444 5.713 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000101089316 554581394 /nfs/dbraw/zinc/58/13/94/554581394.db2.gz LENHMKTYJFFFLH-ZVBGSRNCSA-N 0 0 585.317 7.934 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092706 554583268 /nfs/dbraw/zinc/58/32/68/554583268.db2.gz MIUULNHRMXJTIG-FCEKVYKBSA-N 0 0 561.435 6.160 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)SC2=S)cc1OC ZINC000101129677 554648665 /nfs/dbraw/zinc/64/86/65/554648665.db2.gz APICFGVWTQKZOY-OVVQPSECSA-N 0 0 541.698 6.309 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000101129758 554648752 /nfs/dbraw/zinc/64/87/52/554648752.db2.gz QQIYVAMDEVBCIR-TTYLXTBDSA-N 0 0 526.481 5.682 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl ZINC000101130272 554649367 /nfs/dbraw/zinc/64/93/67/554649367.db2.gz AFHFBCHKRTTWOD-BDTNDASRSA-N 0 0 550.792 5.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101130287 554649376 /nfs/dbraw/zinc/64/93/76/554649376.db2.gz DWBDWVBAHRGQST-PWRODBHTSA-N 0 0 571.210 5.451 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000101135878 554651656 /nfs/dbraw/zinc/65/16/56/554651656.db2.gz CFZGAGHDMZMFJX-QPTFLMPZSA-N 0 0 543.480 5.423 50 10 KKCARN Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=[NH+]c1cccc(=NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)[nH]1 ZINC000101141401 554653518 /nfs/dbraw/zinc/65/35/18/554653518.db2.gz CFFUCLCBSFUQDP-CTVDDJEBSA-N 0 0 533.636 5.752 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2Cl)[C@@H]1C(C)=O ZINC000101180828 554667135 /nfs/dbraw/zinc/66/71/35/554667135.db2.gz AAQCXDOUQSWSBI-ZNZIZOMTSA-N 0 0 546.406 5.941 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101181723 554667308 /nfs/dbraw/zinc/66/73/08/554667308.db2.gz CKKLTSSHNXLBGN-OIFRRMEBSA-N 0 0 546.022 6.665 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101184154 554668695 /nfs/dbraw/zinc/66/86/95/554668695.db2.gz AEXMQEBNJCRDDS-DYIKCSJPSA-N 0 0 529.567 6.151 50 10 KKCARN CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101183526 554668723 /nfs/dbraw/zinc/66/87/23/554668723.db2.gz XSRVDKZQVUTXLN-DSITVLBTSA-N 0 0 522.815 6.669 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000101185801 554669205 /nfs/dbraw/zinc/66/92/05/554669205.db2.gz UFTJURKTMUZHBR-SSBOKUKZSA-N 0 0 547.632 6.082 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189662 554670204 /nfs/dbraw/zinc/67/02/04/554670204.db2.gz ODOFASIAJJYANX-CZNDPXEESA-N 0 0 577.681 5.547 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101191195 554670585 /nfs/dbraw/zinc/67/05/85/554670585.db2.gz KIAFULROTPOWJM-GMQQYTKMSA-N 0 0 522.025 6.718 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101193855 554671455 /nfs/dbraw/zinc/67/14/55/554671455.db2.gz KHQDMADGRDSMNN-OIFRRMEBSA-N 0 0 530.023 6.965 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)S3)CC2)cc1Cl ZINC000101193630 554671606 /nfs/dbraw/zinc/67/16/06/554671606.db2.gz CTLAJHXTDOUVBV-HZHRSRAPSA-N 0 0 531.987 6.720 50 10 KKCARN COc1ccccc1N1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000101216873 554684530 /nfs/dbraw/zinc/68/45/30/554684530.db2.gz ODUGQMMROVYCKG-UHFFFAOYSA-N 0 0 546.583 5.847 50 10 KKCARN CCOC(=O)[C@H]1CCCN(c2cc(Nc3cc(OC)c(OC)c(OC)c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000101217545 554684847 /nfs/dbraw/zinc/68/48/47/554684847.db2.gz XTIAHCSDZSJEDG-KRWDZBQOSA-N 0 0 557.603 5.588 50 10 KKCARN COC(=O)c1ccc(Nc2cc(N3CCN(c4ccc(OC)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000101217732 554685069 /nfs/dbraw/zinc/68/50/69/554685069.db2.gz XTJQMAQLWANBIB-UHFFFAOYSA-N 0 0 560.610 5.905 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 ZINC000101225503 554688680 /nfs/dbraw/zinc/68/86/80/554688680.db2.gz XDPBYEMUYNKIGZ-NJYVYQBISA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]12 ZINC000101225502 554688734 /nfs/dbraw/zinc/68/87/34/554688734.db2.gz XDPBYEMUYNKIGZ-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000101228753 554689147 /nfs/dbraw/zinc/68/91/47/554689147.db2.gz NWVMFYNMIORCKY-OIFRRMEBSA-N 0 0 547.557 6.290 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000101253697 554694514 /nfs/dbraw/zinc/69/45/14/554694514.db2.gz UBFYFMJDCLMNNL-RMTSEHLMSA-N 0 0 539.726 7.681 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101256340 554697063 /nfs/dbraw/zinc/69/70/63/554697063.db2.gz OSKBXKOIPPRHGN-SSBOKUKZSA-N 0 0 550.441 7.310 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101263802 554697852 /nfs/dbraw/zinc/69/78/52/554697852.db2.gz QVAUQMBJYXGVGO-OZNIXHKMSA-N 0 0 536.052 7.026 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101268445 554699729 /nfs/dbraw/zinc/69/97/29/554699729.db2.gz UAWAOHCEAOTJHW-YTCPBCGMSA-N 0 0 533.986 6.795 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1Cl ZINC000101308505 554716615 /nfs/dbraw/zinc/71/66/15/554716615.db2.gz HCJGKPIHAIQBRY-OPCSARHGSA-N 0 0 539.079 6.537 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101309758 554716799 /nfs/dbraw/zinc/71/67/99/554716799.db2.gz ONOXEVVUQVKMRB-GMQQYTKMSA-N 0 0 539.603 5.892 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000101341764 554735880 /nfs/dbraw/zinc/73/58/80/554735880.db2.gz ZRIDYLCFUSWEKH-IWIPYMOSSA-N 0 0 559.540 7.443 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101343041 554736126 /nfs/dbraw/zinc/73/61/26/554736126.db2.gz LVVKIJQFEDNPMH-OCBJUFRSSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1OC ZINC000101381328 554748341 /nfs/dbraw/zinc/74/83/41/554748341.db2.gz HAUKHHGLUBTHDF-XSFVSMFZSA-N 0 0 501.633 6.200 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000101388241 554753648 /nfs/dbraw/zinc/75/36/48/554753648.db2.gz RUYSQRUNUXKMLJ-YVNNLAQVSA-N 0 0 520.434 7.126 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccc(OC)cc5)C[C@@H]43)C2=O)cc1 ZINC000101391618 554755173 /nfs/dbraw/zinc/75/51/73/554755173.db2.gz BOYLKBBYEPNYBG-MVSFAKPFSA-N 0 0 592.618 5.551 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@H]3C2)cc1 ZINC000101391795 554755733 /nfs/dbraw/zinc/75/57/33/554755733.db2.gz ZMMRDSKYZOBYPV-XRKRLSELSA-N 0 0 534.582 5.683 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000101402477 554760382 /nfs/dbraw/zinc/76/03/82/554760382.db2.gz HNTUPZWMJJBNNP-INKCSCAPSA-N 0 0 580.891 6.994 50 10 KKCARN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C/c4cccn4-c4ccc(Cl)c([N+](=O)[O-])c4)C3=N)S2)c1 ZINC000101404493 554761238 /nfs/dbraw/zinc/76/12/38/554761238.db2.gz AOLDAKWYZJMZOS-MJSBPXROSA-N 0 0 520.958 5.045 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101416535 554765525 /nfs/dbraw/zinc/76/55/25/554765525.db2.gz XRWIIMPDCSNDLI-UHFFFAOYSA-N 0 0 552.590 6.007 50 10 KKCARN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCCCOc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000101421919 554767323 /nfs/dbraw/zinc/76/73/23/554767323.db2.gz PKQJVEBIKYVGML-KQWNVCNZSA-N 0 0 527.023 6.502 50 10 KKCARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000101430853 554770406 /nfs/dbraw/zinc/77/04/06/554770406.db2.gz ZEQVGYFPJGHEKQ-OSPAZUARSA-N 0 0 562.113 8.199 50 10 KKCARN COc1ccc(CN2CCN(c3cc(NCc4ccco4)c4c5c3noc5-c3ccccc3C4=O)CC2)c(OC)c1OC ZINC000101431621 554770561 /nfs/dbraw/zinc/77/05/61/554770561.db2.gz MJYDLJCSYWXZBI-UHFFFAOYSA-N 0 0 580.641 5.592 50 10 KKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000101461351 554778429 /nfs/dbraw/zinc/77/84/29/554778429.db2.gz PLTSQYHPIVEITB-YTZAWJCFSA-N 0 0 565.722 8.823 50 10 KKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000101461348 554778495 /nfs/dbraw/zinc/77/84/95/554778495.db2.gz PLTSQYHPIVEITB-GGUMNFRJSA-N 0 0 565.722 8.823 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)/C=C\c3ccc(OC)c(OC)c3)C(C)(C)C2=S)S1 ZINC000101461995 554778911 /nfs/dbraw/zinc/77/89/11/554778911.db2.gz RJRPRTRODRXZFS-OWBHPGMISA-N 0 0 597.736 5.619 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101481652 554784365 /nfs/dbraw/zinc/78/43/65/554784365.db2.gz REMNUTUTHCRYID-PWRODBHTSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101482555 554784671 /nfs/dbraw/zinc/78/46/71/554784671.db2.gz 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CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000101670149 554823569 /nfs/dbraw/zinc/82/35/69/554823569.db2.gz RBVRGBLXCOIQQA-PUPDPRJKSA-N 0 0 581.712 7.600 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101670813 554824171 /nfs/dbraw/zinc/82/41/71/554824171.db2.gz NVUZOETXXCYRCX-YKILCQELSA-N 0 0 555.630 6.329 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101671241 554824664 /nfs/dbraw/zinc/82/46/64/554824664.db2.gz GPHHCNKUEKNLQT-SSBOKUKZSA-N 0 0 578.437 6.905 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101671993 554825534 /nfs/dbraw/zinc/82/55/34/554825534.db2.gz UKCWSWHQUOFYDN-JSWXEYCZSA-N 0 0 592.651 6.568 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101672889 554826471 /nfs/dbraw/zinc/82/64/71/554826471.db2.gz VPDQNANIRNNXRR-OZNIXHKMSA-N 0 0 612.103 6.744 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000101673641 554827102 /nfs/dbraw/zinc/82/71/02/554827102.db2.gz IBCXAROBBTZHKX-XKKJXBDVSA-N 0 0 585.656 6.337 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000101673879 554827349 /nfs/dbraw/zinc/82/73/49/554827349.db2.gz QLRCAJYHIBMDHP-YTCPBCGMSA-N 0 0 568.431 7.449 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)N2c3ccc(Br)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000101674269 554827750 /nfs/dbraw/zinc/82/77/50/554827750.db2.gz RRZMVYMVJMZUBO-MJSOWUPRSA-N 0 0 604.500 7.164 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)C(C)C ZINC000101776747 554837849 /nfs/dbraw/zinc/83/78/49/554837849.db2.gz AGZCCUKNURIWCV-SFHVURJKSA-N 0 0 529.530 6.390 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccco2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101839312 554842558 /nfs/dbraw/zinc/84/25/58/554842558.db2.gz ZEDIFJKXRZYKKZ-UHFFFAOYSA-N 0 0 552.615 6.211 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccco2)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101881174 554846226 /nfs/dbraw/zinc/84/62/26/554846226.db2.gz FFIBJBJSFPDTPN-UHFFFAOYSA-N 0 0 539.481 6.251 50 10 KKCARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(I)c2O)N3)C1 ZINC000101897057 554847178 /nfs/dbraw/zinc/84/71/78/554847178.db2.gz VUTCNCGEGZKXFZ-ZIDLFYJRSA-N 0 0 566.202 5.217 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)NC(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101911151 554849927 /nfs/dbraw/zinc/84/99/27/554849927.db2.gz NHGSYNKAUSWHTD-UHFFFAOYSA-N 0 0 544.545 6.183 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)C1CCC1 ZINC000102029565 554867864 /nfs/dbraw/zinc/86/78/64/554867864.db2.gz UEULKBWOEPUCAH-GOSISDBHSA-N 0 0 541.541 6.535 50 10 KKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(I)c2O)N3)C1 ZINC000102089240 554877258 /nfs/dbraw/zinc/87/72/58/554877258.db2.gz DEUWUEUQPDGAIZ-MGNBDDOMSA-N 0 0 575.310 6.791 50 10 KKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102449773 554931251 /nfs/dbraw/zinc/93/12/51/554931251.db2.gz ARESXOFYOBUAPJ-ZTKZIYFRSA-N 0 0 550.640 6.120 50 10 KKCARN CCOc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@H]2c1cc(Br)ccc1O ZINC000102458905 554935065 /nfs/dbraw/zinc/93/50/65/554935065.db2.gz QAKLFSUIUDGMKT-SSEXGKCCSA-N 0 0 619.523 7.843 50 10 KKCARN CCn1c(=O)/c(=C\C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)s/c1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000102465239 554935787 /nfs/dbraw/zinc/93/57/87/554935787.db2.gz XXJPGPJLZPYZIH-RACXKMRLSA-N 0 0 623.869 6.248 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 ZINC000102471352 554936396 /nfs/dbraw/zinc/93/63/96/554936396.db2.gz SYTBOOAURCPWHG-LJXNAPLLSA-N 0 0 583.710 6.979 50 10 KKCARN COC(=O)c1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000102496279 554940809 /nfs/dbraw/zinc/94/08/09/554940809.db2.gz LPZFVDJEKFWFOX-NDEPHWFRSA-N 0 0 540.689 6.407 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102544259 554958494 /nfs/dbraw/zinc/95/84/94/554958494.db2.gz JJWHMQLXDSNJRH-NGDRWEMDSA-N 0 0 564.468 7.618 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102544917 554958818 /nfs/dbraw/zinc/95/88/18/554958818.db2.gz AUAFJXSRKWXSFS-DYIKCSJPSA-N 0 0 571.629 6.029 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102559656 554967245 /nfs/dbraw/zinc/96/72/45/554967245.db2.gz DDNLMDFNYKTXIQ-NGDRWEMDSA-N 0 0 564.468 7.618 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102608082 554980079 /nfs/dbraw/zinc/98/00/79/554980079.db2.gz 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ZINC000102779935 555065289 /nfs/dbraw/zinc/06/52/89/555065289.db2.gz YPIZZNVBODQUSA-KECXRQEKSA-N 0 0 593.477 6.939 50 10 KKCARN O=C1C2=C(/C(=C\c3ccc(F)cc3)C(=O)N2c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000102779883 555065305 /nfs/dbraw/zinc/06/53/05/555065305.db2.gz ASRJFWVJTNMNLM-QWYUUOJISA-N 0 0 551.415 7.061 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)ccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000102807852 555073805 /nfs/dbraw/zinc/07/38/05/555073805.db2.gz XCUIPRNENBBCEW-BGABXYSRSA-N 0 0 557.762 7.884 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000102866426 555095721 /nfs/dbraw/zinc/09/57/21/555095721.db2.gz ONDZULKQRUQTKT-AWCRTANDSA-N 0 0 551.976 6.935 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102869754 555099443 /nfs/dbraw/zinc/09/94/43/555099443.db2.gz BKHGNHVFYZYKDP-NGDRWEMDSA-N 0 0 598.457 7.457 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102869759 555099517 /nfs/dbraw/zinc/09/95/17/555099517.db2.gz BKHGNHVFYZYKDP-OCBJUFRSSA-N 0 0 598.457 7.457 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(OC)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102870637 555100989 /nfs/dbraw/zinc/10/09/89/555100989.db2.gz ZXBKDJIBTDEEBP-IWWXRALLSA-N 0 0 555.630 6.410 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102886844 555117551 /nfs/dbraw/zinc/11/75/51/555117551.db2.gz QYQSKAPUHZQMEN-MJSOWUPRSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102889351 555123572 /nfs/dbraw/zinc/12/35/72/555123572.db2.gz NOYFWFXFCAVOKN-OLUZHXLYSA-N 0 0 559.593 6.159 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102889495 555123697 /nfs/dbraw/zinc/12/36/97/555123697.db2.gz SVXFRJIUMYZNLH-JFHPUIQFSA-N 0 0 578.039 7.194 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102893034 555129654 /nfs/dbraw/zinc/12/96/54/555129654.db2.gz YCMXOSYZKZBHEB-OLUZHXLYSA-N 0 0 603.646 6.476 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102893435 555130765 /nfs/dbraw/zinc/13/07/65/555130765.db2.gz LAPYRLLXPSDQEA-AYQJTBPPSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102895552 555134755 /nfs/dbraw/zinc/13/47/55/555134755.db2.gz FNOTUXMHJCMXSH-ANJBIJILSA-N 0 0 569.613 5.937 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102896215 555135941 /nfs/dbraw/zinc/13/59/41/555135941.db2.gz FVETZJSMPUVHLC-OLUZHXLYSA-N 0 0 573.620 6.468 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102897031 555137198 /nfs/dbraw/zinc/13/71/98/555137198.db2.gz WOKIQPUVJPPJIL-NLDZOOGBSA-N 0 0 551.976 6.935 50 10 KKCARN Cc1ccc([C@@H]2C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C)cc3)N(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000102934918 555162318 /nfs/dbraw/zinc/16/23/18/555162318.db2.gz FIPWUMRMUBIKSU-NOCHOARKSA-N 0 0 587.675 7.532 50 10 KKCARN COc1ccc(Nc2ccc(NC=C3C(=O)N(c4ccccc4C(F)(F)F)C(=O)c4ccccc43)cc2)cc1 ZINC000102942059 555170403 /nfs/dbraw/zinc/17/04/03/555170403.db2.gz SBNOVOOMAYKLMK-BWAHOGKJSA-N 0 0 529.518 7.098 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)N(c1ccccc1)c1ccccc1 ZINC000102942476 555170492 /nfs/dbraw/zinc/17/04/92/555170492.db2.gz WLHHJUHESKUZPM-NKFKGCMQSA-N 0 0 524.614 6.634 50 10 KKCARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S ZINC000102943444 555170772 /nfs/dbraw/zinc/17/07/72/555170772.db2.gz NVROQLMPGRTAFI-RCCKNPSSSA-N 0 0 602.706 6.813 50 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558.562 6.316 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CN(Cc4ccc(F)cc4)Cc4ccc(Cl)cc4)n3)CC2)cc1 ZINC000103098923 555276230 /nfs/dbraw/zinc/27/62/30/555276230.db2.gz OQUUMJAAMCLEDA-UHFFFAOYSA-N 0 0 565.114 6.109 50 10 KKCARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)c2cc(C)n(-c3ccc5c(c3)OCCO5)c2C)CCC4)c1 ZINC000103104665 555282124 /nfs/dbraw/zinc/28/21/24/555282124.db2.gz BZRVJNAYBKMALE-UHFFFAOYSA-N 0 0 599.734 6.098 50 10 KKCARN COc1ccc(Cc2nnc(SCC(=O)c3cc(C)n(-c4ccccc4F)c3C)n2C2CCCCC2)cc1OC ZINC000103124832 555292789 /nfs/dbraw/zinc/29/27/89/555292789.db2.gz GXLAPTAWABCRRE-UHFFFAOYSA-N 0 0 562.711 6.913 50 10 KKCARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1cc(N(CC)CC)ccc1CN(C(=O)CC(C)(C)C)C(C)C ZINC000103125791 555294084 /nfs/dbraw/zinc/29/40/84/555294084.db2.gz PMJUZVHCGLLAAW-UHFFFAOYSA-N 0 0 574.784 6.431 50 10 KKCARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1cc(N(CC)CC)ccc1CN(C(=O)C(C)C)C(C)C ZINC000103125784 555294115 /nfs/dbraw/zinc/29/41/15/555294115.db2.gz ZIHPEKLTOOZWDZ-UHFFFAOYSA-N 0 0 546.730 5.650 50 10 KKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103130735 555299789 /nfs/dbraw/zinc/29/97/89/555299789.db2.gz SOPOPFLDEPRYSE-YTZAWJCFSA-N 0 0 567.257 8.448 50 10 KKCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000103133341 555302817 /nfs/dbraw/zinc/30/28/17/555302817.db2.gz XRWVMEVRVJBLPE-AVRWGWEMSA-N 0 0 551.663 7.075 50 10 KKCARN COc1ccc(OC)c(-n2c(C)c(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2-c2ccccc2)c1 ZINC000103192588 555333845 /nfs/dbraw/zinc/33/38/45/555333845.db2.gz DADGUGNEJWRYRZ-UHFFFAOYSA-N 0 0 571.721 7.017 50 10 KKCARN Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1 ZINC000103196475 555334854 /nfs/dbraw/zinc/33/48/54/555334854.db2.gz BASUJAKTRURSAM-UHFFFAOYSA-N 0 0 541.976 7.226 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CN(CCc4ccc(OC)c(OC)c4)Cc4ccc(C)cc4)n3)CC2)cc1 ZINC000103254964 555345388 /nfs/dbraw/zinc/34/53/88/555345388.db2.gz AARPNCLEHHGMQF-UHFFFAOYSA-N 0 0 600.785 5.685 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103366692 555365802 /nfs/dbraw/zinc/36/58/02/555365802.db2.gz USNRCSSTEZPLCX-UHFFFAOYSA-N 0 0 604.622 6.894 50 10 KKCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)c2ccco2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408497 555394096 /nfs/dbraw/zinc/39/40/96/555394096.db2.gz CUQHCKRDNVSCCQ-UHFFFAOYSA-N 0 0 551.492 6.253 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408954 555394701 /nfs/dbraw/zinc/39/47/01/555394701.db2.gz QZQUVKLPEZKPGG-AREMUKBSSA-N 0 0 608.654 6.280 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408950 555394757 /nfs/dbraw/zinc/39/47/57/555394757.db2.gz JIIIXHZHDPRRNN-XMMPIXPASA-N 0 0 568.658 5.627 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408969 555395132 /nfs/dbraw/zinc/39/51/32/555395132.db2.gz QMQWSDMUPYUELH-JOCHJYFZSA-N 0 0 626.002 7.082 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)COC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103438628 555418781 /nfs/dbraw/zinc/41/87/81/555418781.db2.gz JLXHECOZFZWPJD-UHFFFAOYSA-N 0 0 555.480 5.376 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000103450610 555420641 /nfs/dbraw/zinc/42/06/41/555420641.db2.gz HSTQKXWTCORRTE-SSEXGKCCSA-N 0 0 511.641 7.778 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000103450600 555420697 /nfs/dbraw/zinc/42/06/97/555420697.db2.gz UYYRIQFOTLTJOH-JGCGQSQUSA-N 0 0 507.678 7.568 50 10 KKCARN COc1cccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103524711 555427869 /nfs/dbraw/zinc/42/78/69/555427869.db2.gz AQRVVDAYHJDXDL-LSBIRFPWSA-N 0 0 536.628 5.292 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000103530429 555430671 /nfs/dbraw/zinc/43/06/71/555430671.db2.gz BKQUUZIYODHVFK-JFHPUIQFSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000103530438 555430846 /nfs/dbraw/zinc/43/08/46/555430846.db2.gz BKQUUZIYODHVFK-OLUZHXLYSA-N 0 0 594.038 6.813 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103530719 555431221 /nfs/dbraw/zinc/43/12/21/555431221.db2.gz ALAJBVIRGKZBGY-RTOKGZNSSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103535145 555435010 /nfs/dbraw/zinc/43/50/10/555435010.db2.gz BHYXAQRVGNKHBF-MPFGFTFXSA-N 0 0 547.632 6.082 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000103541050 555438427 /nfs/dbraw/zinc/43/84/27/555438427.db2.gz ROFCLPXSOPJSPU-AWCRTANDSA-N 0 0 584.886 7.963 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103544612 555440138 /nfs/dbraw/zinc/44/01/38/555440138.db2.gz JYMJWURAJYXCMG-NGDRWEMDSA-N 0 0 556.574 5.920 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103546853 555441021 /nfs/dbraw/zinc/44/10/21/555441021.db2.gz AKPWKQQWCCUHAQ-IDZRBWSNSA-N 0 0 559.593 6.159 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000103546885 555441305 /nfs/dbraw/zinc/44/13/05/555441305.db2.gz VUAREGVQKQGSRK-ULNSLHSMSA-N 0 0 578.983 6.704 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103546922 555441358 /nfs/dbraw/zinc/44/13/58/555441358.db2.gz GPHHCNKUEKNLQT-ULNSLHSMSA-N 0 0 578.437 6.905 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103547821 555441590 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COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(NS(=O)(=O)c4ccc(Br)cc4)c3)CC2)cc1 ZINC000150412594 571484361 /nfs/dbraw/zinc/48/43/61/571484361.db2.gz QALXKHDVESPPKC-RSXGOPAZSA-N 0 0 718.674 5.006 50 10 KKCARN CCOC(=O)c1cccc(Nc2cc(N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000150418347 571486393 /nfs/dbraw/zinc/48/63/93/571486393.db2.gz VTXFQGLZOQRJIA-UHFFFAOYSA-N 0 0 648.716 6.308 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000150420856 571487370 /nfs/dbraw/zinc/48/73/70/571487370.db2.gz PFSVQQXKBQELHE-MTJSOVHGSA-N 0 0 641.430 6.944 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000150442189 571498709 /nfs/dbraw/zinc/49/87/09/571498709.db2.gz TXYKMIWHYPJDNE-BWAHOGKJSA-N 0 0 645.584 7.461 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)cc1 ZINC000150442083 571498830 /nfs/dbraw/zinc/49/88/30/571498830.db2.gz 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/nfs/dbraw/zinc/52/06/33/571520633.db2.gz NOLYYUWWHSHHSB-FMCGGJTJSA-N 0 0 624.409 7.815 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000150565368 571521177 /nfs/dbraw/zinc/52/11/77/571521177.db2.gz MJLMHPITYPXZMG-ZVHZXABRSA-N 0 0 682.632 7.640 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000150612304 571523006 /nfs/dbraw/zinc/52/30/06/571523006.db2.gz XMCQVQUBKNFSOM-RLVFLBDKSA-N 0 0 636.409 8.005 50 10 KKCARN CCOC(=O)c1cc2c(cc1Cl)n(CC)c(/C=C\C=C1N(CC)c3cc(Br)c(Br)cc3N1CC)[n+]2CCCS(=O)(=O)[O-] ZINC000150653483 571526101 /nfs/dbraw/zinc/52/61/01/571526101.db2.gz IPBZYPKPUZBENI-UHFFFAOYSA-O 0 0 745.942 6.803 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169617574 571553905 /nfs/dbraw/zinc/55/39/05/571553905.db2.gz QKMLZRRUSQKQLB-PWRODBHTSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(-c3ccccc3)cc1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000169619646 571554150 /nfs/dbraw/zinc/55/41/50/571554150.db2.gz CJXWLAVKYFLJBA-VJGNERBWSA-N 0 0 578.418 5.811 50 10 KKCARN Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000195528685 571563267 /nfs/dbraw/zinc/56/32/67/571563267.db2.gz LAKRZBYTJRWVGK-KNKQGSTJSA-N 0 0 557.112 5.842 50 10 KKCARN COc1ccccc1-c1ccc2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2n1 ZINC000215745005 571585860 /nfs/dbraw/zinc/58/58/60/571585860.db2.gz WPIYVWUEIADSIH-UHFFFAOYSA-N 0 0 502.596 5.407 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000227022724 572147308 /nfs/dbraw/zinc/14/73/08/572147308.db2.gz JZVDVQNKEHPSOA-DSPMFFIESA-N 0 0 585.656 6.337 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000227023299 572147498 /nfs/dbraw/zinc/14/74/98/572147498.db2.gz 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/nfs/dbraw/zinc/94/11/11/1070941111.db2.gz KDICQBUDMDWCFA-QYEWKMJJSA-N 0 0 566.777 8.061 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000001901159 1071140604 /nfs/dbraw/zinc/14/06/04/1071140604.db2.gz PUPCOLTZMGEGFH-GSBZAIBZSA-N 0 0 557.577 6.067 50 10 KKCARN O=C1C(=O)c2cc(I)c(Br)cc2-c2cc(Br)c(I)cc21 ZINC000514251330 1071150020 /nfs/dbraw/zinc/15/00/20/1071150020.db2.gz TXQPVDMDSYXZQK-UHFFFAOYSA-N 0 0 617.800 5.467 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2F)[C@@H]1C(=O)c1ccccc1 ZINC000227251770 1071185105 /nfs/dbraw/zinc/18/51/05/1071185105.db2.gz PUPCOLTZMGEGFH-ATNBEAFSSA-N 0 0 557.577 6.067 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c1 ZINC000033674248 1071201455 /nfs/dbraw/zinc/20/14/55/1071201455.db2.gz YCQGCZIABHCYQR-KOEQRZSOSA-N 0 0 503.693 6.780 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000102831669 1071303578 /nfs/dbraw/zinc/30/35/78/1071303578.db2.gz RXJSJHGQQMIZHE-RLWVUDJFSA-N 0 0 605.738 5.646 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000102832030 1071304292 /nfs/dbraw/zinc/30/42/92/1071304292.db2.gz RWLMHXAPUPIAMH-OVVQPSECSA-N 0 0 557.075 6.074 50 10 KKCARN CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103439787 1071338138 /nfs/dbraw/zinc/33/81/38/1071338138.db2.gz VCBZKXCYGWRSBK-XDHOZWIPSA-N 0 0 500.496 5.223 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000035241271 1072825362 /nfs/dbraw/zinc/82/53/62/1072825362.db2.gz HGJHHAYFSRWJBE-LPHATQMZSA-N 0 0 519.692 5.954 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc(O)cc2)CC3)c(C)n1-c1ccccc1 ZINC000097978990 1072837331 /nfs/dbraw/zinc/83/73/31/1072837331.db2.gz OJOAIKZOBSUCRC-LYBHJNIJSA-N 0 0 528.608 6.874 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983978 1072840070 /nfs/dbraw/zinc/84/00/70/1072840070.db2.gz QVTDIRLIHNBIHW-XHJOFVNMSA-N 0 0 668.263 7.710 50 10 KKCARN Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3N=Nc3ccc(C)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000254825052 1072881710 /nfs/dbraw/zinc/88/17/10/1072881710.db2.gz XVKDNLRSMDJVPJ-UHFFFAOYSA-N 0 0 594.697 6.570 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000059222104 193891516 /nfs/dbraw/zinc/89/15/16/193891516.db2.gz ZTJRFVDLKSRNPL-YZSQISJMSA-N 0 0 534.659 6.890 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000000648767 551510101 /nfs/dbraw/zinc/51/01/01/551510101.db2.gz XHRBYXONUDNQQK-UHFFFAOYSA-N 0 0 516.439 5.944 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Br)cc1 ZINC000000689321 551526718 /nfs/dbraw/zinc/52/67/18/551526718.db2.gz GKIXGOUMZKRZJB-RNAHPLFWSA-N 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/nfs/dbraw/zinc/54/29/55/551542955.db2.gz KXBJGCSMHYJCPY-RNAHPLFWSA-N 0 0 563.949 5.987 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000000975221 551591028 /nfs/dbraw/zinc/59/10/28/551591028.db2.gz YASDDUISSVJYEF-STZFKDTASA-N 0 0 541.576 6.169 50 10 KKCARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O ZINC000000979997 551591767 /nfs/dbraw/zinc/59/17/67/551591767.db2.gz UVCIBZDEOBOUAP-OYKKKHCWSA-N 0 0 508.571 5.412 50 10 KKCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccs3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000000985142 551592469 /nfs/dbraw/zinc/59/24/69/551592469.db2.gz AIBLBEZHEJGYJA-PWUYWRBVSA-N 0 0 504.563 5.795 50 10 KKCARN Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000001258192 551633168 /nfs/dbraw/zinc/63/31/68/551633168.db2.gz CYBIQMKSMXONQP-FDFHNCONSA-N 0 0 539.893 5.362 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001306394 551639011 /nfs/dbraw/zinc/63/90/11/551639011.db2.gz QDQSFUMAWCMQIU-PCCBWWKXSA-N 0 0 560.311 5.707 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000001738205 551691218 /nfs/dbraw/zinc/69/12/18/551691218.db2.gz VFHKMBDSBVZESJ-ZDLGFXPLSA-N 0 0 575.491 5.245 50 10 KKCARN CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)s1 ZINC000001746238 551691924 /nfs/dbraw/zinc/69/19/24/551691924.db2.gz RKMICZCOSJUUCQ-DHDCSXOGSA-N 0 0 515.513 5.664 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)CC(C)C)C(C)(C)C2=S)S1 ZINC000001765563 551695201 /nfs/dbraw/zinc/69/52/01/551695201.db2.gz RBIRFHWLQXDMQG-OLFWJLLRSA-N 0 0 567.798 7.707 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001780163 551698137 /nfs/dbraw/zinc/69/81/37/551698137.db2.gz HKFGNUSINICIKZ-BKUYFWCQSA-N 0 0 542.469 6.457 50 10 KKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCCC3)c2oc(C(F)(F)F)c1Oc1ccccc1Br ZINC000001782015 551698321 /nfs/dbraw/zinc/69/83/21/551698321.db2.gz UJMCMOPBTJKYJL-UHFFFAOYSA-N 0 0 512.322 6.448 50 10 biogenic KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)n1c(SCc2ccccc2)nc2ccccc21 ZINC000001789464 551701245 /nfs/dbraw/zinc/70/12/45/551701245.db2.gz NERFXVSFYVVJHR-KQWNVCNZSA-N 0 0 550.130 6.914 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCCC(C)(C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001791629 551701746 /nfs/dbraw/zinc/70/17/46/551701746.db2.gz DVDWQAYAVIFKGO-UHFFFAOYSA-N 0 0 520.651 6.136 50 10 KKCARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001796032 551702912 /nfs/dbraw/zinc/70/29/12/551702912.db2.gz DNWSRSQHNVUKKG-UHFFFAOYSA-N 0 0 516.505 6.218 50 10 biogenic KKCARN CCC(/C=C1/Sc2ccc(C)cc2N1CCO)=C/c1sc2ccc(C)cc2[n+]1CCCS(=O)(=O)[O-] ZINC000001804379 551704096 /nfs/dbraw/zinc/70/40/96/551704096.db2.gz JQXQQRNQYSJQNH-UHFFFAOYSA-O 0 0 531.745 5.323 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001811879 551706570 /nfs/dbraw/zinc/70/65/70/551706570.db2.gz IXXXQYXCUIKDEY-UQQQWYQISA-N 0 0 507.640 6.197 50 10 KKCARN O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1Cc1ccco1 ZINC000001831262 551711430 /nfs/dbraw/zinc/71/14/30/551711430.db2.gz BAFSVGXDMXDDOZ-VXPUYCOJSA-N 0 0 511.422 5.361 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000001834715 551712089 /nfs/dbraw/zinc/71/20/89/551712089.db2.gz RUHYBONWLMMOCH-XHPQRKPJSA-N 0 0 511.672 6.382 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3cccc(C(F)(F)F)c3)C1=N2 ZINC000001844789 551714625 /nfs/dbraw/zinc/71/46/25/551714625.db2.gz QMGQIVTYDKORJV-SSEXGKCCSA-N 0 0 591.641 8.061 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)S3)CC2)cc1Cl ZINC000001870890 551719697 /nfs/dbraw/zinc/71/96/97/551719697.db2.gz OMZWYKUYHYJPEW-UCQKPKSFSA-N 0 0 543.432 6.263 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001871269 551719733 /nfs/dbraw/zinc/71/97/33/551719733.db2.gz LUTFNRKODUEOGA-OCBJUFRSSA-N 0 0 586.600 5.928 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000001872657 551720115 /nfs/dbraw/zinc/72/01/15/551720115.db2.gz XLWUNNRUYSBFHX-YIKNKFAXSA-N 0 0 561.435 6.254 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000001874685 551721247 /nfs/dbraw/zinc/72/12/47/551721247.db2.gz AQDSQYYSDDPJTL-OWHBQTKESA-N 0 0 590.075 6.982 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001876241 551722586 /nfs/dbraw/zinc/72/25/86/551722586.db2.gz IVVRMERCLGCKNC-RWSKJCERSA-N 0 0 555.630 6.329 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000001886307 551725672 /nfs/dbraw/zinc/72/56/72/551725672.db2.gz VYKDXBQNMOASHM-YIKNKFAXSA-N 0 0 561.981 6.053 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000001890726 551726509 /nfs/dbraw/zinc/72/65/09/551726509.db2.gz OTYVMMHLQXOOCP-ULNSLHSMSA-N 0 0 551.976 6.935 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccc(Cl)cc3)C1=N2 ZINC000001891542 551726692 /nfs/dbraw/zinc/72/66/92/551726692.db2.gz BDBCQKZYJMZLPS-PMERELPUSA-N 0 0 558.089 7.695 50 10 KKCARN CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001898121 551729220 /nfs/dbraw/zinc/72/92/20/551729220.db2.gz CEDPULBHZLIJQM-SLGZMBILSA-N 0 0 555.649 7.341 50 10 KKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002059117 551740994 /nfs/dbraw/zinc/74/09/94/551740994.db2.gz CVXUXIUJXBAOOM-MTDXEUNCSA-N 0 0 550.640 6.367 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(=O)OC)c4)C3=O)o2)cc1 ZINC000002059059 551741062 /nfs/dbraw/zinc/74/10/62/551741062.db2.gz QRMVYQFCZOSZJC-NCELDCMTSA-N 0 0 519.553 6.381 50 10 KKCARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000002070397 551746879 /nfs/dbraw/zinc/74/68/79/551746879.db2.gz DFGZYLPIZPVBIO-UHFFFAOYSA-N 0 0 556.485 6.605 50 10 KKCARN COc1cccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2OCc2ccccc2)c1O ZINC000002085485 551755123 /nfs/dbraw/zinc/75/51/23/551755123.db2.gz PJUQPZADFVVOGD-HHHXNRCGSA-N 0 0 574.431 5.654 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@H](C)C4)c(C)n1-c1ccccc1F ZINC000002087901 551757560 /nfs/dbraw/zinc/75/75/60/551757560.db2.gz FJFGKECGQVMAAQ-SFHVURJKSA-N 0 0 557.716 7.094 50 10 KKCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c(OC)c1 ZINC000002094402 551760467 /nfs/dbraw/zinc/76/04/67/551760467.db2.gz MQBGBZMBIRBWSA-AREMUKBSSA-N 0 0 517.630 6.328 50 10 KKCARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3O)sc2=N1 ZINC000002149453 551777805 /nfs/dbraw/zinc/77/78/05/551777805.db2.gz 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/nfs/dbraw/zinc/34/80/14/553348014.db2.gz IYQRVYVIOCGQIP-WOJBJXKFSA-N 0 0 506.643 5.344 50 10 biogenic KKCARN COc1cc(/C=C2\C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000012403871 553362993 /nfs/dbraw/zinc/36/29/93/553362993.db2.gz PODKKZMLVCJCRU-BKUYFWCQSA-N 0 0 512.547 5.575 50 10 KKCARN CCOC(=O)c1c(CN2CCCC2)n(C2CCCCC2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000012413719 553364673 /nfs/dbraw/zinc/36/46/73/553364673.db2.gz RQMVCJAKRFMYHH-UHFFFAOYSA-N 0 0 506.485 5.449 50 10 KKCARN CCCCOc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1OCC ZINC000012542546 553390618 /nfs/dbraw/zinc/39/06/18/553390618.db2.gz JCBWOUJCIHARJL-UKTHLTGXSA-N 0 0 533.621 5.882 50 10 KKCARN CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000012559589 553393938 /nfs/dbraw/zinc/39/39/38/553393938.db2.gz GMINFJOZGZTUAG-PMERELPUSA-N 0 0 516.670 7.245 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1nc(-c2ccccc2)cs1 ZINC000012620759 553403536 /nfs/dbraw/zinc/40/35/36/553403536.db2.gz DEVJGUREXMYQQO-UHFFFAOYSA-N 0 0 502.935 5.034 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000012634932 553406304 /nfs/dbraw/zinc/40/63/04/553406304.db2.gz MVUBNRYUOIZQIF-GOSISDBHSA-N 0 0 503.599 5.895 50 10 KKCARN COc1ccc(N2CCN(c3nc(Nc4cc(C)nn4-c4ccccc4)c(Cl)cc3Cl)CC2)cc1 ZINC000012636348 553406958 /nfs/dbraw/zinc/40/69/58/553406958.db2.gz QFNAGNCIUIBVSZ-UHFFFAOYSA-N 0 0 509.441 5.961 50 10 KKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl ZINC000012959245 553430294 /nfs/dbraw/zinc/43/02/94/553430294.db2.gz ZKBOBLWTRLYDIQ-UDWIEESQSA-N 0 0 519.456 7.459 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013510669 553467262 /nfs/dbraw/zinc/46/72/62/553467262.db2.gz JMJNDCFOCVENSM-LZSGNZRWSA-N 0 0 502.640 5.408 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N(CCC)CCC)SC1=S ZINC000013513869 553468084 /nfs/dbraw/zinc/46/80/84/553468084.db2.gz GGMICMQAVSIXNX-JUJXNAJKSA-N 0 0 500.734 5.739 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccc(OCC)cc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000013739204 553487340 /nfs/dbraw/zinc/48/73/40/553487340.db2.gz ABDWSXXCOUYXGE-YYADALCUSA-N 0 0 525.717 6.681 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N(CCC)CCC)SC1=S ZINC000013759274 553488705 /nfs/dbraw/zinc/48/87/05/553488705.db2.gz WZPJLCYTPMQAGG-RAGBYUADSA-N 0 0 514.761 6.047 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)cc1 ZINC000013763765 553488790 /nfs/dbraw/zinc/48/87/90/553488790.db2.gz JZAWKAOQRXNJSO-DEDRDRDXSA-N 0 0 517.032 7.502 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 ZINC000013773557 553489594 /nfs/dbraw/zinc/48/95/94/553489594.db2.gz HZRHWGHFWKEKJJ-JWGURIENSA-N 0 0 507.706 5.916 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000013799184 553491029 /nfs/dbraw/zinc/49/10/29/553491029.db2.gz NLCHEDZWHVHOPW-ULJHMMPZSA-N 0 0 502.686 6.806 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000013800624 553491249 /nfs/dbraw/zinc/49/12/49/553491249.db2.gz VRSFVILXHPOYOL-GMWXLQMUSA-N 0 0 516.022 6.540 50 10 KKCARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000013801844 553491404 /nfs/dbraw/zinc/49/14/04/553491404.db2.gz GJOHKNNVADVLJD-UMSFTDKQSA-N 0 0 518.572 7.870 50 10 KKCARN CCCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000013809917 553492076 /nfs/dbraw/zinc/49/20/76/553492076.db2.gz PHTKMQXFFJGPDD-JWGURIENSA-N 0 0 509.653 5.078 50 10 KKCARN Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)c1 ZINC000013810124 553492117 /nfs/dbraw/zinc/49/21/17/553492117.db2.gz AOPKEAJCFFYHIX-FABBAFOLSA-N 0 0 518.642 6.641 50 10 KKCARN Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)c1 ZINC000013810071 553492139 /nfs/dbraw/zinc/49/21/39/553492139.db2.gz CXSNTWHLFSRUHD-XPJQHBIASA-N 0 0 518.642 6.723 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 ZINC000013810591 553492474 /nfs/dbraw/zinc/49/24/74/553492474.db2.gz XVQGCWUHUCBAFR-XIEYBQDHSA-N 0 0 502.640 5.267 50 10 KKCARN COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1OCCCOc1cccc(C)c1C ZINC000013895055 553494519 /nfs/dbraw/zinc/49/45/19/553494519.db2.gz SEZWZLWHKNDLQT-BWAHOGKJSA-N 0 0 505.661 6.566 50 10 KKCARN COc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000013941855 553496636 /nfs/dbraw/zinc/49/66/36/553496636.db2.gz WNZLWXXVKCYSQP-JLPGSUDCSA-N 0 0 512.052 6.208 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(OCC)c3)C2=N)S1 ZINC000013943630 553497100 /nfs/dbraw/zinc/49/71/00/553497100.db2.gz HWVZJEGNRYKOOE-WJBCKELLSA-N 0 0 527.046 6.006 50 10 KKCARN CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c([O-])c(C[NH+]3CCCCC3)c21 ZINC000015023783 553527102 /nfs/dbraw/zinc/52/71/02/553527102.db2.gz NPINBQPANGKBQR-UHFFFAOYSA-N 0 0 517.489 6.101 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000015229599 553529662 /nfs/dbraw/zinc/52/96/62/553529662.db2.gz JMJNDCFOCVENSM-CSGQPYJXSA-N 0 0 502.640 5.408 50 10 KKCARN COc1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000015980364 553548506 /nfs/dbraw/zinc/54/85/06/553548506.db2.gz WHZSOZQLDPYLCL-UHFFFAOYSA-N 0 0 529.710 5.991 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000015990087 553549484 /nfs/dbraw/zinc/54/94/84/553549484.db2.gz VIWWJJDEFLWBQG-FRXPANAUSA-N 0 0 511.577 6.012 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016000297 553549607 /nfs/dbraw/zinc/54/96/07/553549607.db2.gz QMVAEMSLOIFJDS-UPRLRBBYSA-N 0 0 517.606 6.073 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000016000460 553549901 /nfs/dbraw/zinc/54/99/01/553549901.db2.gz OSCYFHIYSSPJBS-RWSKJCERSA-N 0 0 525.604 6.320 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016000637 553549927 /nfs/dbraw/zinc/54/99/27/553549927.db2.gz DSUFCFZDZDHSSB-OJDZSJEKSA-N 0 0 525.604 6.320 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016000823 553549950 /nfs/dbraw/zinc/54/99/50/553549950.db2.gz XUAABGAZQBLBNO-NHKHRBQYSA-N 0 0 515.996 6.656 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000016001426 553550054 /nfs/dbraw/zinc/55/00/54/553550054.db2.gz ULUNLLBIEPYRMT-DTXPUJKBSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000016006786 553550120 /nfs/dbraw/zinc/55/01/20/553550120.db2.gz LBNIJUQIRXNRNY-OIFRRMEBSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000016007613 553550239 /nfs/dbraw/zinc/55/02/39/553550239.db2.gz RZAKOMBVLCDMMK-IARZGTGTSA-N 0 0 519.528 5.744 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016007224 553550259 /nfs/dbraw/zinc/55/02/59/553550259.db2.gz LLWSUTAUSNSZOE-DCMFLLSESA-N 0 0 523.632 7.126 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016006834 553550278 /nfs/dbraw/zinc/55/02/78/553550278.db2.gz YGTIMUFKMXCGCI-OYUWMTPXSA-N 0 0 526.032 6.397 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016038794 553552760 /nfs/dbraw/zinc/55/27/60/553552760.db2.gz WLCOWUJHAPHKQB-OYUWMTPXSA-N 0 0 522.601 5.241 50 10 KKCARN COc1ccccc1-n1c(C)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1-c1ccccc1 ZINC000016531737 553567313 /nfs/dbraw/zinc/56/73/13/553567313.db2.gz WYRGCASRAXZTHU-UHFFFAOYSA-N 0 0 509.606 5.148 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1C ZINC000016700216 553574393 /nfs/dbraw/zinc/57/43/93/553574393.db2.gz KWUCRWGAUQKXDZ-ONUIUJJFSA-N 0 0 511.672 6.961 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000016700845 553574583 /nfs/dbraw/zinc/57/45/83/553574583.db2.gz KCAQYHUNBVXJSK-FGLBZAAHSA-N 0 0 518.708 5.153 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S ZINC000016700689 553574626 /nfs/dbraw/zinc/57/46/26/553574626.db2.gz MSRCFLCPFRHATE-ULJHMMPZSA-N 0 0 507.681 5.954 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1 ZINC000016700892 553574770 /nfs/dbraw/zinc/57/47/70/553574770.db2.gz SLRBKOUERXZCBI-PLRJNAJWSA-N 0 0 521.708 6.346 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1F ZINC000016729208 553575604 /nfs/dbraw/zinc/57/56/04/553575604.db2.gz NYDRFTFYZBCBOU-SPMKTWQFSA-N 0 0 509.628 5.457 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1Cl ZINC000016733109 553577874 /nfs/dbraw/zinc/57/78/74/553577874.db2.gz AACBCMNBYQKWAT-XMSCMFJESA-N 0 0 512.100 6.981 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1Cl ZINC000016733103 553577923 /nfs/dbraw/zinc/57/79/23/553577923.db2.gz CREFBNYLJIYZME-JLPGSUDCSA-N 0 0 524.111 7.125 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S ZINC000016733654 553578104 /nfs/dbraw/zinc/57/81/04/553578104.db2.gz IZWIAFQHTGWKTQ-PGMHBOJBSA-N 0 0 508.669 5.097 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000016791070 553582699 /nfs/dbraw/zinc/58/26/99/553582699.db2.gz DOMAQNZTRFIJBY-UZXDDYOISA-N 0 0 520.680 6.865 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016805543 553583033 /nfs/dbraw/zinc/58/30/33/553583033.db2.gz FDNFTJNQWUYHHY-MSVBSMQLSA-N 0 0 515.498 6.319 50 10 KKCARN CNC(=S)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000016916921 553583922 /nfs/dbraw/zinc/58/39/22/553583922.db2.gz XXNYZGFIBWKBJR-XMMPIXPASA-N 0 0 516.070 5.570 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000017122652 553588266 /nfs/dbraw/zinc/58/82/66/553588266.db2.gz YBVVDZPXHLBZJC-JIZKSDINSA-N 0 0 515.978 5.872 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCCCOc1ccccc1 ZINC000017172953 553589903 /nfs/dbraw/zinc/58/99/03/553589903.db2.gz UMLQXMZCNKQMIA-KQWNVCNZSA-N 0 0 521.411 6.112 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000018022311 553601907 /nfs/dbraw/zinc/60/19/07/553601907.db2.gz XPDYQYITSBHZRM-HBMCJLEFSA-N 0 0 571.210 5.451 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@@H]23)cc1 ZINC000018107641 553604488 /nfs/dbraw/zinc/60/44/88/553604488.db2.gz ZJXSZRZUIHMEJF-PKTNWEFCSA-N 0 0 513.549 5.357 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000070681072 553604949 /nfs/dbraw/zinc/60/49/49/553604949.db2.gz BQTIQHYWWSOKNY-MJSOWUPRSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687128 553606152 /nfs/dbraw/zinc/60/61/52/553606152.db2.gz WPCMTYUUNYPEBU-YKILCQELSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000018143320 553606276 /nfs/dbraw/zinc/60/62/76/553606276.db2.gz LYLVDEMZOFKAJX-SDHOMARFSA-N 0 0 507.929 5.188 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000018202961 553610215 /nfs/dbraw/zinc/61/02/15/553610215.db2.gz XPDYQYITSBHZRM-HKBOAZHASA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000018208764 553610420 /nfs/dbraw/zinc/61/04/20/553610420.db2.gz REMNUTUTHCRYID-HBMCJLEFSA-N 0 0 526.759 5.342 50 10 KKCARN CCOC(=O)c1c(CSc2ccc(OCC)cc2)n(C)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000019898160 553632080 /nfs/dbraw/zinc/63/20/80/553632080.db2.gz VSYLCNZWOUMOSN-UHFFFAOYSA-N 0 0 521.477 5.576 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000084540923 553677733 /nfs/dbraw/zinc/67/77/33/553677733.db2.gz PWHOGYMLSRBVHI-AUSIDOKSSA-N 0 0 503.755 5.898 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccc(OCC)cc3)ccc21 ZINC000020730893 553691808 /nfs/dbraw/zinc/69/18/08/553691808.db2.gz DLUITLNBLNHOKX-UHFFFAOYSA-N 0 0 508.707 5.394 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccccc3OC)ccc21 ZINC000020730874 553691857 /nfs/dbraw/zinc/69/18/57/553691857.db2.gz PRMZJHQCBXAVQK-UHFFFAOYSA-N 0 0 510.748 5.169 50 10 KKCARN CC(C)C[NH+](Cc1c([O-])c(C[NH+](CC(C)C)CC(C)C)c2oc(-c3ccccc3)cc(=O)c2c1[O-])CC(C)C ZINC000020113102 553695190 /nfs/dbraw/zinc/69/51/90/553695190.db2.gz MQPKXZIKJWBNFF-UHFFFAOYSA-N 0 0 536.757 7.099 50 10 biogenic KKCARN COc1cc(C)ccc1OCCOc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1Cl ZINC000020114653 553695761 /nfs/dbraw/zinc/69/57/61/553695761.db2.gz UAUPBVNAHLHCOM-GZYMTNKHSA-N 0 0 517.032 5.054 50 10 KKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764131 553696410 /nfs/dbraw/zinc/69/64/10/553696410.db2.gz HENFBZAYGIMAOE-RDPSFJRHSA-N 0 0 501.808 6.048 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000020763984 553696452 /nfs/dbraw/zinc/69/64/52/553696452.db2.gz XYNLEGAGJDARFC-UNMCSNQZSA-N 0 0 510.646 7.337 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000020764438 553696715 /nfs/dbraw/zinc/69/67/15/553696715.db2.gz XYMOEABBDSOVRG-RDGATRHJSA-N 0 0 509.400 5.563 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764854 553697027 /nfs/dbraw/zinc/69/70/27/553697027.db2.gz VPOFWIDKIBXCCK-ISKFKSNPSA-N 0 0 503.799 6.568 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000095093183 553697645 /nfs/dbraw/zinc/69/76/45/553697645.db2.gz BTJNHAWTSFHBBN-FGZHOGPDSA-N 0 0 524.796 8.049 50 10 KKCARN Cc1ccc([C@@H]2N(c3ccc([N+](=O)[O-])cc3)N=C(c3ccc(Cl)cc3Cl)C23C(=O)c2ccccc2C3=O)cc1 ZINC000095725755 553711040 /nfs/dbraw/zinc/71/10/40/553711040.db2.gz PYFHZIXHTYKSKW-MHZLTWQESA-N 0 0 556.405 7.241 50 10 KKCARN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C ZINC000095831813 553713739 /nfs/dbraw/zinc/71/37/39/553713739.db2.gz LQZFGPJGXVFSTR-ZSQOVEATSA-N 0 0 657.558 8.637 50 10 KKCARN CN(C)c1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000021865670 553718939 /nfs/dbraw/zinc/71/89/39/553718939.db2.gz MVVDXBTVACJEIG-GDLZYMKVSA-N 0 0 517.029 5.199 50 10 KKCARN COc1ccc(C2=C(C=C3SC(=S)NC3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000022079073 553725702 /nfs/dbraw/zinc/72/57/02/553725702.db2.gz TUBMCWFINYNDCB-AIAVXMCLSA-N 0 0 501.629 5.980 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288521 553739983 /nfs/dbraw/zinc/73/99/83/553739983.db2.gz BIWOSFFXMGGTBV-UHFFFAOYSA-N 0 0 515.503 6.000 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290294 553743403 /nfs/dbraw/zinc/74/34/03/553743403.db2.gz XEHOJOLNTWQLMN-UHFFFAOYSA-N 0 0 512.594 5.466 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)C(C)C ZINC000096290276 553743413 /nfs/dbraw/zinc/74/34/13/553743413.db2.gz AGZCCUKNURIWCV-GOSISDBHSA-N 0 0 529.530 6.390 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2ccccc2F)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096398734 553753128 /nfs/dbraw/zinc/75/31/28/553753128.db2.gz BPMQYAWKGOTTMF-LLAFVWIPSA-N 0 0 526.656 6.160 50 10 KKCARN CCN(CC)c1ccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)cc1 ZINC000097340665 553758600 /nfs/dbraw/zinc/75/86/00/553758600.db2.gz BBPHRZXHKRLZGN-LAGINIQRSA-N 0 0 514.467 7.185 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000097940544 553765968 /nfs/dbraw/zinc/76/59/68/553765968.db2.gz RFONFZLTDZJRDS-UHFFFAOYSA-N 0 0 551.487 5.948 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000097944386 553769389 /nfs/dbraw/zinc/76/93/89/553769389.db2.gz DUJNKKCBSYNHCW-CDSIFPFTSA-N 0 0 621.528 8.097 50 10 KKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000097944928 553770348 /nfs/dbraw/zinc/77/03/48/553770348.db2.gz KBLNUCCSXSNGKX-JCMHNJIXSA-N 0 0 584.429 6.994 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1OC ZINC000097946059 553776132 /nfs/dbraw/zinc/77/61/32/553776132.db2.gz KDULLCKDYBWJPD-XYGWBWBKSA-N 0 0 570.088 6.029 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000097946066 553776465 /nfs/dbraw/zinc/77/64/65/553776465.db2.gz XDVSAYNXPMCTMC-UFAQQFSPSA-N 0 0 540.154 7.619 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000097946095 553776624 /nfs/dbraw/zinc/77/66/24/553776624.db2.gz AJTITZMIQFDATL-KQWNVCNZSA-N 0 0 608.792 6.159 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000097946108 553776663 /nfs/dbraw/zinc/77/66/63/553776663.db2.gz JKRDAGYQEFERMQ-JLPGSUDCSA-N 0 0 623.181 6.361 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000097946124 553776672 /nfs/dbraw/zinc/77/66/72/553776672.db2.gz KRJKWLLITAAFLE-HAHDFKILSA-N 0 0 627.600 7.006 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1 ZINC000097946224 553777609 /nfs/dbraw/zinc/77/76/09/553777609.db2.gz AHUCHASKVXUGSK-MEFGMAGPSA-N 0 0 549.762 7.126 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000097946436 553779253 /nfs/dbraw/zinc/77/92/53/553779253.db2.gz BGIXZQUNZOWUAP-SYANTJLKSA-N 0 0 567.758 5.415 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4cc(C)ccc4C)C3=O)SC2=S)cc1 ZINC000097946547 553780296 /nfs/dbraw/zinc/78/02/96/553780296.db2.gz WTYSTRKFKWZFTQ-RQZHXJHFSA-N 0 0 557.697 5.111 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1Cl ZINC000097946566 553780305 /nfs/dbraw/zinc/78/03/05/553780305.db2.gz RKMTZIHJTZIVJJ-FVHJOOJJSA-N 0 0 574.149 5.370 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000097946650 553780756 /nfs/dbraw/zinc/78/07/56/553780756.db2.gz WYBYLBAOUIIXNH-PKAZHMFMSA-N 0 0 560.144 7.691 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1Cl ZINC000097946664 553781105 /nfs/dbraw/zinc/78/11/05/553781105.db2.gz HSGZSMICDIMESQ-OFWBYEQRSA-N 0 0 583.157 7.516 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCC1 ZINC000097946727 553781303 /nfs/dbraw/zinc/78/13/03/553781303.db2.gz CBOHALYGGKDFEH-USHMODERSA-N 0 0 537.710 7.262 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1Br ZINC000097946950 553782326 /nfs/dbraw/zinc/78/23/26/553782326.db2.gz XBBCZDFDLRNOHW-PKAZHMFMSA-N 0 0 636.593 6.772 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000097946935 553782374 /nfs/dbraw/zinc/78/23/74/553782374.db2.gz HMRMLIFNRPEACG-YQYKVWLJSA-N 0 0 540.692 7.735 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4sc5cc(C)ccc5c4Cl)c(OC)c3)SC2=S)cc1OC ZINC000097946968 553782629 /nfs/dbraw/zinc/78/26/29/553782629.db2.gz ZSAYBWUWSZSYIK-QQXSKIMKSA-N 0 0 640.204 7.552 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)/C=C/c4ccccc4)cc3)SC2=S)cc1OC ZINC000097946956 553782680 /nfs/dbraw/zinc/78/26/80/553782680.db2.gz DMBJOPNTBDDJQR-UFELAAHBSA-N 0 0 531.655 5.767 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097946996 553782818 /nfs/dbraw/zinc/78/28/18/553782818.db2.gz QFVOYHIMNYPFCL-ZMBRFFEDSA-N 0 0 581.930 6.747 50 10 KKCARN CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947003 553782839 /nfs/dbraw/zinc/78/28/39/553782839.db2.gz CYTWZLHKPNXAQY-NUVSWBFWSA-N 0 0 543.925 5.732 50 10 KKCARN CC(C)CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097946991 553782873 /nfs/dbraw/zinc/78/28/73/553782873.db2.gz KHZKATIXPMNLOD-OWMRDYPQSA-N 0 0 547.913 5.918 50 10 KKCARN COc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947022 553783116 /nfs/dbraw/zinc/78/31/16/553783116.db2.gz SWZAMMCRVCXVFB-ZPVURNRZSA-N 0 0 682.047 6.661 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1C ZINC000097947141 553783932 /nfs/dbraw/zinc/78/39/32/553783932.db2.gz IEWLABZCKVFRSV-JDCMOKTRSA-N 0 0 619.190 8.868 50 10 KKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000097947175 553784077 /nfs/dbraw/zinc/78/40/77/553784077.db2.gz MHRYCLMOBCLCBU-BRPDVVIDSA-N 0 0 533.701 5.944 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)C1 ZINC000097947198 553784510 /nfs/dbraw/zinc/78/45/10/553784510.db2.gz WSWFCKHWKKNBKK-KWAZPOIMSA-N 0 0 627.166 7.017 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000097947605 553787628 /nfs/dbraw/zinc/78/76/28/553787628.db2.gz NPDBFQBLWHCBLZ-IWIPYMOSSA-N 0 0 623.181 6.361 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097947716 553788270 /nfs/dbraw/zinc/78/82/70/553788270.db2.gz MFFFBXMIEOEWIQ-QOMWVZHYSA-N 0 0 560.789 6.244 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1cccc(Br)c1 ZINC000097948319 553792888 /nfs/dbraw/zinc/79/28/88/553792888.db2.gz GGYMRIBBWIDSIM-RNAHPLFWSA-N 0 0 563.403 6.188 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1O ZINC000097948930 553797928 /nfs/dbraw/zinc/79/79/28/553797928.db2.gz WSSMVEWKLAVWII-XMMPIXPASA-N 0 0 618.040 7.980 50 10 KKCARN O=C(CC12C[C@H]3C[C@@H](C1)CC(n1cc(Br)c([N+](=O)[O-])n1)(C3)C2)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1O ZINC000097949127 553799780 /nfs/dbraw/zinc/79/97/80/553799780.db2.gz PWDOVZGWQNBFNZ-QQKIJMAOSA-N 0 0 648.514 6.052 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3C)c2C)cc1 ZINC000025389461 553807007 /nfs/dbraw/zinc/80/70/07/553807007.db2.gz GJMRMKRHKWZACB-UHFFFAOYSA-N 0 0 509.635 6.029 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025869115 553814553 /nfs/dbraw/zinc/81/45/53/553814553.db2.gz BYZQZFFMAVDJLT-JXFKEZNVSA-N 0 0 506.219 6.221 50 10 KKCARN CCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC ZINC000026532024 553819171 /nfs/dbraw/zinc/81/91/71/553819171.db2.gz PUBGBAUVLFAKJV-CJLVFECKSA-N 0 0 509.653 5.078 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000026687380 553820360 /nfs/dbraw/zinc/82/03/60/553820360.db2.gz WYOJUFJTCKOJDU-JWRZTOCMSA-N 0 0 517.628 5.724 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000026687362 553820408 /nfs/dbraw/zinc/82/04/08/553820408.db2.gz WFQJEUCZLSZESH-XHPQRKPJSA-N 0 0 500.668 6.420 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 ZINC000026841218 553821705 /nfs/dbraw/zinc/82/17/05/553821705.db2.gz JNBAJRCIUFCHLI-OOAXWGSJSA-N 0 0 514.695 6.811 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000026965210 553822628 /nfs/dbraw/zinc/82/26/28/553822628.db2.gz FPJMNTUUCKVGNI-UPHPNCSHSA-N 0 0 512.660 5.312 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000026965200 553822663 /nfs/dbraw/zinc/82/26/63/553822663.db2.gz FPJMNTUUCKVGNI-FGLBZAAHSA-N 0 0 512.660 5.312 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(CSc2ccccn2)=NN1c1ccccc1 ZINC000027018097 553823391 /nfs/dbraw/zinc/82/33/91/553823391.db2.gz LMKPGWBWFPRKFA-MOHJPFBDSA-N 0 0 519.655 6.574 50 10 KKCARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000027018006 553823432 /nfs/dbraw/zinc/82/34/32/553823432.db2.gz WBZOKPKAPOQKGE-OFWBYEQRSA-N 0 0 510.597 6.691 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1Cl ZINC000027023947 553824588 /nfs/dbraw/zinc/82/45/88/553824588.db2.gz RLHRJRKDJMNLMI-YWCAOALCSA-N 0 0 509.031 5.281 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000027026068 553824875 /nfs/dbraw/zinc/82/48/75/553824875.db2.gz YMQUTADWJUINRF-ONUIUJJFSA-N 0 0 501.721 7.505 50 10 KKCARN CCCCCCOc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1 ZINC000027521055 553827393 /nfs/dbraw/zinc/82/73/93/553827393.db2.gz XQODVGXKROHGIH-HFTWOUSFSA-N 0 0 503.618 6.260 50 10 KKCARN CCCCc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Br)cc1 ZINC000027521469 553827723 /nfs/dbraw/zinc/82/77/23/553827723.db2.gz HQCWYJDVLIQLGQ-LGUFXXKBSA-N 0 0 520.471 6.267 50 10 KKCARN COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2ccc(Br)c(C)c2)C1=O ZINC000027521755 553828171 /nfs/dbraw/zinc/82/81/71/553828171.db2.gz HAFIEYXNHPGHIT-STZFKDTASA-N 0 0 507.384 5.618 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4cccc5ccccc54)c(OC)c3)C2=N)S1 ZINC000027531165 553832017 /nfs/dbraw/zinc/83/20/17/553832017.db2.gz ONAFFCNIURJGDM-NMBITUCBSA-N 0 0 516.648 6.049 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OCC)c3)C2=N)S1 ZINC000027549398 553833747 /nfs/dbraw/zinc/83/37/47/553833747.db2.gz YXFZDDLAKPSKAL-UAJGQANVSA-N 0 0 520.655 5.969 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c2ccccc21 ZINC000027549700 553833842 /nfs/dbraw/zinc/83/38/42/553833842.db2.gz SRXBMVNDZKVPIZ-NMBITUCBSA-N 0 0 501.612 5.394 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000027549855 553834094 /nfs/dbraw/zinc/83/40/94/553834094.db2.gz CKOHASUDUUWZAT-OHMBLGONSA-N 0 0 522.627 5.217 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cc(C)ccc4C)c(OC)c3)C2=N)S1 ZINC000027549773 553834113 /nfs/dbraw/zinc/83/41/13/553834113.db2.gz DPHCVPKOLHBJKE-OURWUAPHSA-N 0 0 513.019 5.452 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000027549850 553834116 /nfs/dbraw/zinc/83/41/16/553834116.db2.gz MNVNOOJRDWKYSK-GCOWQSAJSA-N 0 0 522.627 5.217 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000027549917 553834318 /nfs/dbraw/zinc/83/43/18/553834318.db2.gz WKPFVLXOPIKNQF-AQRUSWPISA-N 0 0 527.046 5.698 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000027549903 553834343 /nfs/dbraw/zinc/83/43/43/553834343.db2.gz YYOPWAHJPAZQJB-XQWBAOJFSA-N 0 0 527.046 5.843 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000027549898 553834366 /nfs/dbraw/zinc/83/43/66/553834366.db2.gz JOZHGBGWFIGUBW-XXHFGZKOSA-N 0 0 527.046 5.843 50 10 KKCARN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(C)cc4/N=N/c4ccc(C)cc4)cc3)cc2)cc1 ZINC000029061594 553844334 /nfs/dbraw/zinc/84/43/34/553844334.db2.gz RZFKSZXHLSPBFA-MLGMXDONSA-N 0 0 672.789 12.048 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029492518 553845671 /nfs/dbraw/zinc/84/56/71/553845671.db2.gz QVTDIRLIHNBIHW-CGFAQTSMSA-N 0 0 668.263 7.710 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000097957637 553847083 /nfs/dbraw/zinc/84/70/83/553847083.db2.gz ZXHXHFAHIRVOGX-HAHDFKILSA-N 0 0 626.707 6.718 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(I)c1OCCOc1c(C)cccc1C ZINC000097957821 553848854 /nfs/dbraw/zinc/84/88/54/553848854.db2.gz IMMORNYXMIQUHI-FMWDNNMKSA-N 0 0 672.589 6.964 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc([C@H](C)CC)cc1 ZINC000097958045 553850812 /nfs/dbraw/zinc/85/08/12/553850812.db2.gz CBZBDQQFGVZDNC-PJZBTWFMSA-N 0 0 547.742 7.853 50 10 KKCARN Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)ccc1Cl ZINC000097958105 553851430 /nfs/dbraw/zinc/85/14/30/553851430.db2.gz UPOXTMPBNJDANW-JOFJPVPMSA-N 0 0 523.039 5.835 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)/C=C/c3ccc(OC)c(OC)c3)C(C)(C)C2=S)S1 ZINC000097958167 553851784 /nfs/dbraw/zinc/85/17/84/553851784.db2.gz QOWUOCGWNSZRBJ-JLHYYAGUSA-N 0 0 611.763 5.927 50 10 KKCARN N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000030719009 553855654 /nfs/dbraw/zinc/85/56/54/553855654.db2.gz VWPWFOMQGMRTNY-DVKULTFGSA-N 0 0 501.782 6.574 50 10 KKCARN N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000030732580 553855961 /nfs/dbraw/zinc/85/59/61/553855961.db2.gz ZFAJHODSPPJCCI-QAGNQREPSA-N 0 0 513.431 6.763 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000097958597 553856138 /nfs/dbraw/zinc/85/61/38/553856138.db2.gz GRYZBFZUAWJBOI-KJWUHLJGSA-N 0 0 564.885 7.317 50 10 KKCARN CCCCCCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OCC)cc1 ZINC000097958654 553856426 /nfs/dbraw/zinc/85/64/26/553856426.db2.gz UZNJSMQGNWUEKU-NVDPUYEKSA-N 0 0 588.652 6.847 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000097958753 553857405 /nfs/dbraw/zinc/85/74/05/553857405.db2.gz XROSMJUHVMMQIF-UXBFAHNJSA-N 0 0 589.117 6.735 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000097958779 553857784 /nfs/dbraw/zinc/85/77/84/553857784.db2.gz MTCMIMGIBSWBFB-VBXMAEBYSA-N 0 0 541.073 6.089 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)cc2OC)cc1 ZINC000097958963 553859398 /nfs/dbraw/zinc/85/93/98/553859398.db2.gz PPONVHUHMXIVIH-KBYNNWKISA-N 0 0 598.725 6.651 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)/C=C/c3ccccc3)C(C)(C)C2=S)S1 ZINC000097959070 553860355 /nfs/dbraw/zinc/86/03/55/553860355.db2.gz ZOVRKYAVVWDTHU-WYMLVPIESA-N 0 0 551.711 5.910 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)cc1 ZINC000097959168 553861445 /nfs/dbraw/zinc/86/14/45/553861445.db2.gz AEAOEZASAOKGDO-ITNOMBKVSA-N 0 0 559.091 6.979 50 10 KKCARN Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000097959246 553861972 /nfs/dbraw/zinc/86/19/72/553861972.db2.gz BQARTAOXAGUPRQ-XYGWBWBKSA-N 0 0 554.531 6.925 50 10 KKCARN CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097959247 553862080 /nfs/dbraw/zinc/86/20/80/553862080.db2.gz KNEIGSPVKUSLJV-FSLDEXMDSA-N 0 0 547.742 7.458 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000097959226 553862143 /nfs/dbraw/zinc/86/21/43/553862143.db2.gz CEQKEOOEQLSBLD-HARGOPFBSA-N 0 0 530.581 5.502 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000032533905 553869376 /nfs/dbraw/zinc/86/93/76/553869376.db2.gz ROEZALYEOUEJBD-UHFFFAOYSA-N 0 0 581.831 5.797 50 10 KKCARN COc1ccc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)cc1I ZINC000097960410 553871243 /nfs/dbraw/zinc/87/12/43/553871243.db2.gz FMUSEEMLSYZFJE-NVNXTCNLSA-N 0 0 515.170 5.145 50 10 KKCARN CCCCN(CCCC)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1 ZINC000097961750 553880588 /nfs/dbraw/zinc/88/05/88/553880588.db2.gz SHGGIXVAMIXSBA-CHQNLTHESA-N 0 0 616.898 12.998 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1Cl ZINC000097961840 553881185 /nfs/dbraw/zinc/88/11/85/553881185.db2.gz CUEMNLMHKCNTOC-YDZHTSKRSA-N 0 0 541.050 5.781 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1ccccc1 ZINC000097962099 553883072 /nfs/dbraw/zinc/88/30/72/553883072.db2.gz KUKFTEVZEAYGNT-SRZZPIQSSA-N 0 0 594.339 6.881 50 10 KKCARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000097962230 553883901 /nfs/dbraw/zinc/88/39/01/553883901.db2.gz GXMVAEICXVCTPL-YVLHZVERSA-N 0 0 542.860 5.459 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000097962227 553883903 /nfs/dbraw/zinc/88/39/03/553883903.db2.gz VLDMWJHRSVAIFT-WSDLNYQXSA-N 0 0 529.014 5.911 50 10 KKCARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040568 553893803 /nfs/dbraw/zinc/89/38/03/553893803.db2.gz HGFDEOFQCDGFFS-MUUNZHRXSA-N 0 0 531.125 7.583 50 10 KKCARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040618 553893907 /nfs/dbraw/zinc/89/39/07/553893907.db2.gz YKFMWCMHCFOSSZ-LJAQVGFWSA-N 0 0 510.707 6.607 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CCCC4)cc1 ZINC000033040601 553893968 /nfs/dbraw/zinc/89/39/68/553893968.db2.gz VGEBKIRMRHEJFO-MHZLTWQESA-N 0 0 518.633 6.899 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)cc1C)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051215 553895975 /nfs/dbraw/zinc/89/59/75/553895975.db2.gz GYLIVXBHHREDSC-HKBQPEDESA-N 0 0 530.676 6.791 50 10 KKCARN COc1ccccc1OCCOc1c(I)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OC ZINC000097964062 553896250 /nfs/dbraw/zinc/89/62/50/553896250.db2.gz IMSJRAVMMWKFHP-XNTBJUSESA-N 0 0 660.534 5.966 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000097964121 553896608 /nfs/dbraw/zinc/89/66/08/553896608.db2.gz ZSOFIQPORHUCBT-AFUMVMLFSA-N 0 0 528.070 7.479 50 10 KKCARN Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964349 553897472 /nfs/dbraw/zinc/89/74/72/553897472.db2.gz DLPAGEIJYPNQNB-MBEOPLCSSA-N 0 0 579.751 7.237 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)c(C)c1 ZINC000097964909 553901574 /nfs/dbraw/zinc/90/15/74/553901574.db2.gz UGVCXZBBRJJFKF-BNJZDNHHSA-N 0 0 567.092 6.234 50 10 KKCARN COc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964926 553901947 /nfs/dbraw/zinc/90/19/47/553901947.db2.gz LPAWBANFNSAAIA-BUSCPJTRSA-N 0 0 579.682 6.126 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc(-c4ccccc4)nc4ccccc42)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965106 553902882 /nfs/dbraw/zinc/90/28/82/553902882.db2.gz ZTWWPEIOZQTTCH-FWTIACGWSA-N 0 0 605.786 8.471 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2Br)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965205 553903557 /nfs/dbraw/zinc/90/35/57/553903557.db2.gz XXRNAIWQMCXRLV-FBUFZGEOSA-N 0 0 557.536 7.018 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000097966230 553907560 /nfs/dbraw/zinc/90/75/60/553907560.db2.gz IZZOZNNSGIRSAZ-DDSBZIKFSA-N 0 0 553.482 6.236 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097966253 553907863 /nfs/dbraw/zinc/90/78/63/553907863.db2.gz CFXHKBVAOAKWKC-FYJGNVAPSA-N 0 0 589.920 6.236 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000097966289 553908068 /nfs/dbraw/zinc/90/80/68/553908068.db2.gz KJSDNOSFKLZQOJ-ACHQHTMYSA-N 0 0 759.666 6.210 50 10 KKCARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000033343175 553921860 /nfs/dbraw/zinc/92/18/60/553921860.db2.gz LUCOVRBUKUAUJP-KQWNVCNZSA-N 0 0 508.441 5.497 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000033354383 553929469 /nfs/dbraw/zinc/92/94/69/553929469.db2.gz QWDQEBZBGACGGE-GDLZYMKVSA-N 0 0 578.141 7.463 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000033354554 553930235 /nfs/dbraw/zinc/93/02/35/553930235.db2.gz MQQMOPYGMIGFPL-GRSHGNNSSA-N 0 0 531.874 6.874 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2cccc3ccccc32)cc1 ZINC000033354823 553931597 /nfs/dbraw/zinc/93/15/97/553931597.db2.gz LKJISSBIBBUPIY-OOAXWGSJSA-N 0 0 525.446 7.616 50 10 KKCARN CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000097968766 553934321 /nfs/dbraw/zinc/93/43/21/553934321.db2.gz DWXXNPDXGNWCOH-LHHJGKSTSA-N 0 0 572.244 5.989 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000033355437 553934738 /nfs/dbraw/zinc/93/47/38/553934738.db2.gz XVOCOQMZOMHPAM-NQDAVXOOSA-N 0 0 566.060 5.729 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(C(C)(C)C)cc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097968902 553934958 /nfs/dbraw/zinc/93/49/58/553934958.db2.gz KNQLLPUGNVECCT-XHPQRKPJSA-N 0 0 637.787 6.296 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033357138 553946824 /nfs/dbraw/zinc/94/68/24/553946824.db2.gz STAQCQADWBTGGF-UHFFFAOYSA-N 0 0 584.554 6.857 50 10 KKCARN Oc1c(I)cc(I)cc1C1Nc2cccc3cccc(c32)N1 ZINC000033358657 553957330 /nfs/dbraw/zinc/95/73/30/553957330.db2.gz CENSGFOSSOUSPR-UHFFFAOYSA-N 0 0 514.104 5.291 50 10 KKCARN O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(Br)cc1 ZINC000033358665 553957337 /nfs/dbraw/zinc/95/73/37/553957337.db2.gz WZVYLRZORNMYEU-UHFFFAOYSA-N 0 0 521.370 6.892 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000033561092 553962561 /nfs/dbraw/zinc/96/25/61/553962561.db2.gz LHMDOADHNPJENK-ZXVVBBHZSA-N 0 0 525.699 6.690 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097979572 553980592 /nfs/dbraw/zinc/98/05/92/553980592.db2.gz AWKPDBQPDLUXOP-BYNJWEBRSA-N 0 0 675.807 6.580 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000034256237 553981172 /nfs/dbraw/zinc/98/11/72/553981172.db2.gz WXXGKROLEAOZBV-AHDHHBBCSA-N 0 0 511.672 6.900 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000034798430 554008862 /nfs/dbraw/zinc/00/88/62/554008862.db2.gz VDCYYQIXLJELLM-JLPGSUDCSA-N 0 0 510.681 5.945 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N(C)C2CCCCC2)SC1=S ZINC000034902202 554025223 /nfs/dbraw/zinc/02/52/23/554025223.db2.gz CICWXAMPHCXIRT-YMNYDYPGSA-N 0 0 504.681 5.426 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000035058549 554033774 /nfs/dbraw/zinc/03/37/74/554033774.db2.gz WIZNPIVLBWLFJU-IWIPYMOSSA-N 0 0 504.633 5.735 50 10 KKCARN CCOc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000035060943 554033914 /nfs/dbraw/zinc/03/39/14/554033914.db2.gz YCMNRLBAHXEBJK-JLPGSUDCSA-N 0 0 526.680 5.645 50 10 KKCARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000035131162 554035152 /nfs/dbraw/zinc/03/51/52/554035152.db2.gz SBAPVRXOBDUBSB-XIEYBQDHSA-N 0 0 525.561 5.489 50 10 KKCARN CCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000035241591 554042179 /nfs/dbraw/zinc/04/21/79/554042179.db2.gz UBUYUSHFDQFNFQ-PTGBLXJZSA-N 0 0 518.708 5.073 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@H](c1ccc(I)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(I)cc1 ZINC000097999818 554046182 /nfs/dbraw/zinc/04/61/82/554046182.db2.gz FBHXAVAQDUDYDI-ACHIHNKUSA-N 0 0 811.413 8.125 50 10 KKCARN Cc1ccc(Sc2c(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000098008919 554068219 /nfs/dbraw/zinc/06/82/19/554068219.db2.gz OTGFRLHDZDXCAM-UHFFFAOYSA-N 0 0 518.421 7.481 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nn3-c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000035727504 554068805 /nfs/dbraw/zinc/06/88/05/554068805.db2.gz ZUULIKWCDIQOPQ-UHFFFAOYSA-N 0 0 513.450 5.879 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000098010828 554074838 /nfs/dbraw/zinc/07/48/38/554074838.db2.gz KWTLZDPJVQRWKU-UHFFFAOYSA-N 0 0 569.699 5.696 50 10 KKCARN CCOc1ccccc1-n1c(C)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1-c1ccccc1 ZINC000035828992 554079317 /nfs/dbraw/zinc/07/93/17/554079317.db2.gz BPGCLRLNJXFWSA-NTCAYCPXSA-N 0 0 505.662 6.323 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000035843232 554081730 /nfs/dbraw/zinc/08/17/30/554081730.db2.gz QDIGPKQZQDMXSY-FCEKVYKBSA-N 0 0 500.529 5.537 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CCN(c5ccc(OC)cc5)CC4)n3)cc2)C1 ZINC000098015341 554098139 /nfs/dbraw/zinc/09/81/39/554098139.db2.gz DZMUUNUMXGUZAU-HHHXNRCGSA-N 0 0 603.789 5.136 50 10 KKCARN CN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035962118 554110874 /nfs/dbraw/zinc/11/08/74/554110874.db2.gz LFYLDJZCJGARQT-JOCHJYFZSA-N 0 0 502.924 5.147 50 10 KKCARN CN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000035963245 554111539 /nfs/dbraw/zinc/11/15/39/554111539.db2.gz HRHNXPDZTAVJAB-JOCHJYFZSA-N 0 0 517.939 5.539 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1 ZINC000036056330 554159815 /nfs/dbraw/zinc/15/98/15/554159815.db2.gz VVPFBYDGSKZHTF-IAPPQJPRSA-N 0 0 521.448 5.662 50 10 KKCARN CCCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 ZINC000100023129 554182751 /nfs/dbraw/zinc/18/27/51/554182751.db2.gz FMYCODRHPPFUPA-PGMHBOJBSA-N 0 0 547.396 5.347 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 ZINC000100040980 554192199 /nfs/dbraw/zinc/19/21/99/554192199.db2.gz FFKCYSJTRDXDSM-FHNKLNMBSA-N 0 0 608.746 8.024 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000100072185 554202108 /nfs/dbraw/zinc/20/21/08/554202108.db2.gz QZAOCQBXQMPBNN-WYMPLXKRSA-N 0 0 521.835 7.365 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000100074719 554203554 /nfs/dbraw/zinc/20/35/54/554203554.db2.gz XKJXXIMRFZFZQN-ITYLOYPMSA-N 0 0 582.585 7.606 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000100074728 554203618 /nfs/dbraw/zinc/20/36/18/554203618.db2.gz VOWQAEKKHCXOCO-ITYLOYPMSA-N 0 0 538.134 7.497 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccccc1 ZINC000100079844 554206489 /nfs/dbraw/zinc/20/64/89/554206489.db2.gz MJOREXXNZNVBIC-XMHGGMMESA-N 0 0 588.299 8.309 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000100080864 554206705 /nfs/dbraw/zinc/20/67/05/554206705.db2.gz DSAXIWNXAVYUQD-PKAZHMFMSA-N 0 0 538.134 7.631 50 10 KKCARN CC(Nc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000100094991 554215412 /nfs/dbraw/zinc/21/54/12/554215412.db2.gz KXQYKGMSCUROHY-HZHRSRAPSA-N 0 0 525.486 7.484 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OC)ccc3N(C(=O)COc3ccccc3)C(C)(C)C2=S)S1 ZINC000100112954 554222573 /nfs/dbraw/zinc/22/25/73/554222573.db2.gz LMVHVKGXOBTQOX-UHFFFAOYSA-N 0 0 599.752 5.756 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)Nc3cccc(Cl)c3)C(C)(C)C2=S)S1 ZINC000100114817 554222901 /nfs/dbraw/zinc/22/29/01/554222901.db2.gz INXWITJFMGMJPP-UHFFFAOYSA-N 0 0 561.106 6.247 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(OCC)c3)C2=O)cc1 ZINC000100165268 554236543 /nfs/dbraw/zinc/23/65/43/554236543.db2.gz FGNNRNPHUUBQSR-DHDCSXOGSA-N 0 0 527.293 5.079 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Br ZINC000100191640 554244853 /nfs/dbraw/zinc/24/48/53/554244853.db2.gz LXYXVYAHIZFNDT-XLNRJJMWSA-N 0 0 585.479 7.988 50 10 KKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000100191974 554244872 /nfs/dbraw/zinc/24/48/72/554244872.db2.gz HTLFWLFDJCHALK-QGOAFFKASA-N 0 0 537.240 8.487 50 10 KKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000100195662 554245877 /nfs/dbraw/zinc/24/58/77/554245877.db2.gz ISQFHJNUHLRYIK-LFIBNONCSA-N 0 0 532.268 7.150 50 10 KKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000100233312 554257592 /nfs/dbraw/zinc/25/75/92/554257592.db2.gz BNXWHVRLMHHAJX-MFKUBSTISA-N 0 0 599.503 5.405 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](NC(=O)CC)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000100241644 554260750 /nfs/dbraw/zinc/26/07/50/554260750.db2.gz SNIQGGJEYLXXHS-UHWDDTASSA-N 0 0 559.924 6.092 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260453 554265498 /nfs/dbraw/zinc/26/54/98/554265498.db2.gz MZHJOGBQIPKJFJ-JJFYIABZSA-N 0 0 583.331 7.875 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccccc4OC)c(OCC)c3)C2=N)S1 ZINC000100267990 554267980 /nfs/dbraw/zinc/26/79/80/554267980.db2.gz BEHHNBOPTILVMC-LTYQDDISSA-N 0 0 601.523 6.124 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000100268873 554268566 /nfs/dbraw/zinc/26/85/66/554268566.db2.gz NLMBKDVUFZBRQQ-JLPGSUDCSA-N 0 0 528.120 6.921 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 ZINC000040221167 554283156 /nfs/dbraw/zinc/28/31/56/554283156.db2.gz GXSYCMJZCSLIGK-ZHZULCJRSA-N 0 0 506.008 5.542 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000100299780 554290220 /nfs/dbraw/zinc/29/02/20/554290220.db2.gz CQBYKVNRZRRILZ-STZFKDTASA-N 0 0 573.433 5.925 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)SC2=S)cc1OC ZINC000100308630 554297259 /nfs/dbraw/zinc/29/72/59/554297259.db2.gz PJCQWZOTTCKHQR-KOEQRZSOSA-N 0 0 535.643 5.376 50 10 KKCARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000043765354 554300042 /nfs/dbraw/zinc/30/00/42/554300042.db2.gz OLLWYMQKAZZLOQ-IMWIBFENSA-N 0 0 504.961 6.986 50 10 KKCARN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000100322299 554306571 /nfs/dbraw/zinc/30/65/71/554306571.db2.gz MWBNWQVLZYFHFE-LZYBPNLTSA-N 0 0 563.720 6.678 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000100322987 554306906 /nfs/dbraw/zinc/30/69/06/554306906.db2.gz BQKOPCSHOWGVFE-CVKSISIWSA-N 0 0 532.687 6.352 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000100323003 554306928 /nfs/dbraw/zinc/30/69/28/554306928.db2.gz WFWJZTGVMKGKGU-JFLMPSFJSA-N 0 0 590.727 6.481 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100323634 554307507 /nfs/dbraw/zinc/30/75/07/554307507.db2.gz PBBVWGLVSCVPQJ-LPYMAVHISA-N 0 0 544.467 6.577 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccncc1 ZINC000100323829 554307572 /nfs/dbraw/zinc/30/75/72/554307572.db2.gz GSKNOSXBMRJQLH-SRZZPIQSSA-N 0 0 547.883 6.491 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000049605397 554323916 /nfs/dbraw/zinc/32/39/16/554323916.db2.gz MHRTUQSKWZJHQM-JCYYIGJDSA-N 0 0 584.510 6.896 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000100340164 554324900 /nfs/dbraw/zinc/32/49/00/554324900.db2.gz GDCQYAHHNMYAKW-LPYMAVHISA-N 0 0 560.466 6.590 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@H](c1ccc(Br)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Br)cc1 ZINC000049766447 554325370 /nfs/dbraw/zinc/32/53/70/554325370.db2.gz GVYJEWXRTMQIEE-ACHIHNKUSA-N 0 0 717.413 8.440 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000049942583 554327295 /nfs/dbraw/zinc/32/72/95/554327295.db2.gz QHIJPEBQYOUBIN-PXLXIMEGSA-N 0 0 509.077 6.761 50 10 KKCARN COc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000053319125 554336009 /nfs/dbraw/zinc/33/60/09/554336009.db2.gz XBAZOOBYJRRBOR-RCCKNPSSSA-N 0 0 549.651 5.727 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3cccc(C(F)(F)F)c3)C1=N2 ZINC000053319442 554337829 /nfs/dbraw/zinc/33/78/29/554337829.db2.gz PYNLNWZBZBNYGV-GDLZYMKVSA-N 0 0 592.629 7.456 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000053363021 554345804 /nfs/dbraw/zinc/34/58/04/554345804.db2.gz ACCLZQXCHVRKEH-QPPBQGQZSA-N 0 0 530.260 6.538 50 10 KKCARN CCc1ccc(C2=N[C@H](c3cccc(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363594 554345905 /nfs/dbraw/zinc/34/59/05/554345905.db2.gz KVDFKHAYNIFAND-UPVQGACJSA-N 0 0 514.261 6.702 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363885 554346221 /nfs/dbraw/zinc/34/62/21/554346221.db2.gz XZGKMKKOHIAXJV-UNMCSNQZSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363925 554346542 /nfs/dbraw/zinc/34/65/42/554346542.db2.gz QCEVUZMPGRDYOK-IBVKSMDESA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364225 554346634 /nfs/dbraw/zinc/34/66/34/554346634.db2.gz KABVVKWIZYDSGX-KCWPFWIISA-N 0 0 525.443 6.183 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364109 554346641 /nfs/dbraw/zinc/34/66/41/554346641.db2.gz OAHHSKRIWHSQHN-OFVILXPXSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364288 554346720 /nfs/dbraw/zinc/34/67/20/554346720.db2.gz HZHMFJMWJFHTNW-OFVILXPXSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364367 554347049 /nfs/dbraw/zinc/34/70/49/554347049.db2.gz QDXLKNSAXGIUBW-LADGPHEKSA-N 0 0 548.250 6.678 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)cc1C ZINC000100363038 554347109 /nfs/dbraw/zinc/34/71/09/554347109.db2.gz LIUMHYSPJVWDFH-QRVIBDJDSA-N 0 0 528.468 7.190 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364781 554347272 /nfs/dbraw/zinc/34/72/72/554347272.db2.gz KBKYQNCKFHWGJE-QPPBQGQZSA-N 0 0 530.260 6.457 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364930 554347589 /nfs/dbraw/zinc/34/75/89/554347589.db2.gz XRXJZPAWSZJZJM-RDGATRHJSA-N 0 0 509.400 5.563 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364927 554347663 /nfs/dbraw/zinc/34/76/63/554347663.db2.gz XRXJZPAWSZJZJM-WIOPSUGQSA-N 0 0 509.400 5.563 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364934 554347674 /nfs/dbraw/zinc/34/76/74/554347674.db2.gz XRXJZPAWSZJZJM-DHLKQENFSA-N 0 0 509.400 5.563 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCc1c(F)cccc1Cl ZINC000100364323 554349473 /nfs/dbraw/zinc/34/94/73/554349473.db2.gz LCKPURWERGVRNS-AUEPDCJTSA-N 0 0 529.998 6.201 50 10 KKCARN Cc1cccc(CN2C(=O)/C(=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000100391678 554366985 /nfs/dbraw/zinc/36/69/85/554366985.db2.gz NJFIOYSUMTZXIP-QURGRASLSA-N 0 0 569.495 6.157 50 10 KKCARN CCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(Br)cc3Cl)c3ccccc23)C(=O)N(CC)C1=S ZINC000100391716 554367355 /nfs/dbraw/zinc/36/73/55/554367355.db2.gz XAXHTWWZVRZQLZ-UHFFFAOYSA-N 0 0 573.900 5.075 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100414224 554378334 /nfs/dbraw/zinc/37/83/34/554378334.db2.gz UFARQHNQMCGYAC-FKBYEOEOSA-N 0 0 540.786 5.338 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100414566 554379375 /nfs/dbraw/zinc/37/93/75/554379375.db2.gz LVDRHBHYPYSKBQ-ZJOUEHCJSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000100414642 554379602 /nfs/dbraw/zinc/37/96/02/554379602.db2.gz ZHLMLDWNAFNFSN-HBMCJLEFSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100415673 554382218 /nfs/dbraw/zinc/38/22/18/554382218.db2.gz JVIKEENCFNEITG-CCDWMCETSA-N 0 0 507.929 5.188 50 10 KKCARN O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100479281 554401475 /nfs/dbraw/zinc/40/14/75/554401475.db2.gz PFOAPSXMUGBCRJ-CIAFOILYSA-N 0 0 516.522 6.598 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059515222 554403044 /nfs/dbraw/zinc/40/30/44/554403044.db2.gz SDFSGRARYIAART-UHFFFAOYSA-N 0 0 574.593 5.562 50 10 KKCARN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 ZINC000100501516 554405802 /nfs/dbraw/zinc/40/58/02/554405802.db2.gz SSFAFBRLQLHNAE-GOONJYCDSA-N 0 0 579.897 7.040 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100533539 554411089 /nfs/dbraw/zinc/41/10/89/554411089.db2.gz XKVNODXOOMOKEA-JLKMOJGBSA-N 0 0 618.155 5.105 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100533542 554411158 /nfs/dbraw/zinc/41/11/58/554411158.db2.gz NWIBWIAUXHZLCE-MDYVMDJYSA-N 0 0 633.770 5.605 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2[C@@H]2C=CC[C@H]21 ZINC000059646024 554417259 /nfs/dbraw/zinc/41/72/59/554417259.db2.gz OJWQFJGKDAEJQT-IPVFLDMMSA-N 0 0 525.468 6.393 50 10 KKCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000100561991 554418402 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/nfs/dbraw/zinc/73/68/84/554736884.db2.gz DVVAXMDLUKAOAV-ULNSLHSMSA-N 0 0 533.986 6.795 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101344787 554737066 /nfs/dbraw/zinc/73/70/66/554737066.db2.gz BCEAGWKEALXRHU-ULNSLHSMSA-N 0 0 533.986 6.795 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356380 554740028 /nfs/dbraw/zinc/74/00/28/554740028.db2.gz RWJROVQDLATKNO-HSZRJFAPSA-N 0 0 605.160 5.967 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1 ZINC000101391711 554755510 /nfs/dbraw/zinc/75/55/10/554755510.db2.gz HASQRMQIBYLWSJ-IAPPQJPRSA-N 0 0 555.000 6.028 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000101400271 554759922 /nfs/dbraw/zinc/75/99/22/554759922.db2.gz GCOQQYJIWURDOK-BTJFKRLISA-N 0 0 567.711 7.361 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000101408146 554762912 /nfs/dbraw/zinc/76/29/12/554762912.db2.gz ZIVIMSHYROSRCF-UFPGJGBJSA-N 0 0 533.378 6.224 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccccc1)cc3N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000101423390 554767714 /nfs/dbraw/zinc/76/77/14/554767714.db2.gz LQIHWMJWIBLFAK-UHFFFAOYSA-N 0 0 565.073 6.506 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000101432876 554771482 /nfs/dbraw/zinc/77/14/82/554771482.db2.gz GRWLXRSKZDDDIU-UHFFFAOYSA-N 0 0 555.034 6.099 50 10 KKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)o1 ZINC000101441963 554773382 /nfs/dbraw/zinc/77/33/82/554773382.db2.gz QRCQBEOAHPBCIS-RDJYZGLESA-N 0 0 533.591 5.552 50 10 KKCARN Cc1ccccc1[C@H]1N(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2C)C12C(=O)c1ccccc1C2=O ZINC000101452797 554775839 /nfs/dbraw/zinc/77/58/39/554775839.db2.gz QGUHIMVNUYHLME-SZAHLOSFSA-N 0 0 587.675 7.532 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101481937 554784342 /nfs/dbraw/zinc/78/43/42/554784342.db2.gz IYQTVQXGMVBYEC-PWRODBHTSA-N 0 0 525.866 5.054 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000101483852 554785056 /nfs/dbraw/zinc/78/50/56/554785056.db2.gz RVURBOGPHSVYAN-VXNXHJTFSA-N 0 0 517.940 5.298 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000101500728 554788252 /nfs/dbraw/zinc/78/82/52/554788252.db2.gz HUILZNCLDSVKJS-ZBRCOFTJSA-N 0 0 593.749 7.895 50 10 KKCARN Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)C2=CNCc2ccc(Cl)cc2)cc1 ZINC000101501825 554788732 /nfs/dbraw/zinc/78/87/32/554788732.db2.gz QYEIRZJDIYHDFX-RCCKNPSSSA-N 0 0 505.068 6.427 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(/C=C4/Oc5ccccc5N(Cc5cccc(C)c5)C4=O)cc3)CC2)cc1 ZINC000101506655 554790647 /nfs/dbraw/zinc/79/06/47/554790647.db2.gz UZUZHKUZNBHORI-GZZLJNBRSA-N 0 0 559.666 5.933 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)c(Cl)c2)CCCC4)cc1 ZINC000101545581 554796159 /nfs/dbraw/zinc/79/61/59/554796159.db2.gz ALLAIPSXXOOFAA-MHZLTWQESA-N 0 0 535.088 7.413 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590368 554802538 /nfs/dbraw/zinc/80/25/38/554802538.db2.gz IQUBMTNDOFCZDJ-AYQJTBPPSA-N 0 0 574.032 6.582 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590392 554802563 /nfs/dbraw/zinc/80/25/63/554802563.db2.gz HFTXTZBLQVGJSF-MJSOWUPRSA-N 0 0 557.577 6.067 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590410 554802754 /nfs/dbraw/zinc/80/27/54/554802754.db2.gz XKDLHQXYIQARTK-MJSOWUPRSA-N 0 0 574.032 6.582 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000101595418 554803322 /nfs/dbraw/zinc/80/33/22/554803322.db2.gz JCDRXVDXFHNVBK-BKUYFWCQSA-N 0 0 526.433 6.083 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(F)ccc1F)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000101623066 554810581 /nfs/dbraw/zinc/81/05/81/554810581.db2.gz RNIBRKJEZNBSDM-LJAQVGFWSA-N 0 0 538.602 6.453 50 10 KKCARN COc1cccc(CNC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000101623131 554810728 /nfs/dbraw/zinc/81/07/28/554810728.db2.gz MDJQECWUXJXCRI-HKBQPEDESA-N 0 0 546.675 5.861 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(/C=C4\Sc5ccccc5N(Cc5ccccc5F)C4=O)cc3)CC2)cc1 ZINC000101637250 554813389 /nfs/dbraw/zinc/81/33/89/554813389.db2.gz DFNYKZJGRQLXKN-JDCMOKTRSA-N 0 0 579.697 6.477 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)c1 ZINC000101669873 554823235 /nfs/dbraw/zinc/82/32/35/554823235.db2.gz QKUVWIQDDCISFS-OIFRRMEBSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101669907 554823290 /nfs/dbraw/zinc/82/32/90/554823290.db2.gz WLJXMGCCAKOXMH-DYIKCSJPSA-N 0 0 590.473 6.774 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000101670274 554823586 /nfs/dbraw/zinc/82/35/86/554823586.db2.gz OFQLNFUWOZQLCC-RWSKJCERSA-N 0 0 620.499 6.783 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101671054 554824436 /nfs/dbraw/zinc/82/44/36/554824436.db2.gz TZUZXEGHFRCAHN-JSWXEYCZSA-N 0 0 592.651 6.568 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101671065 554824466 /nfs/dbraw/zinc/82/44/66/554824466.db2.gz OQSQTQWZVGEJLS-XFCANUNOSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000101671491 554824848 /nfs/dbraw/zinc/82/48/48/554824848.db2.gz RPGAGWDVVYGSRA-YKILCQELSA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101671997 554825607 /nfs/dbraw/zinc/82/56/07/554825607.db2.gz UKCWSWHQUOFYDN-ODTVBPJYSA-N 0 0 592.651 6.568 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101673650 554827163 /nfs/dbraw/zinc/82/71/63/554827163.db2.gz DLRFSSBCWRIZHJ-GMQQYTKMSA-N 0 0 570.483 6.506 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000101673891 554827347 /nfs/dbraw/zinc/82/73/47/554827347.db2.gz DIUHSTLTCCUYJE-XKKJXBDVSA-N 0 0 585.656 6.337 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101674187 554827756 /nfs/dbraw/zinc/82/77/56/554827756.db2.gz YCQMEUSGNPYBRH-SSBOKUKZSA-N 0 0 578.437 6.905 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101733726 554833635 /nfs/dbraw/zinc/83/36/35/554833635.db2.gz BRHDLQJFAGUBHU-UHFFFAOYSA-N 0 0 559.651 5.276 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101776763 554837922 /nfs/dbraw/zinc/83/79/22/554837922.db2.gz TZZGYLWMMCTAQD-UHFFFAOYSA-N 0 0 552.615 6.097 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101809334 554839495 /nfs/dbraw/zinc/83/94/95/554839495.db2.gz ZFHKOIMZYITLDK-XMMPIXPASA-N 0 0 570.674 5.873 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101839259 554842317 /nfs/dbraw/zinc/84/23/17/554842317.db2.gz QBMDMNQIVHHMGV-UHFFFAOYSA-N 0 0 581.537 7.045 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccco2)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101881124 554845880 /nfs/dbraw/zinc/84/58/80/554845880.db2.gz RRVQHSXJELZSDA-UHFFFAOYSA-N 0 0 538.588 5.963 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2cccs2)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101881099 554845976 /nfs/dbraw/zinc/84/59/76/554845976.db2.gz CPGYJSFRPWHCRH-UHFFFAOYSA-N 0 0 554.656 6.432 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N(C)Cc5ccccc5)c4)nc(C)c3C)CC2)cc1 ZINC000101951594 554853122 /nfs/dbraw/zinc/85/31/22/554853122.db2.gz HYKNMIMEQRULND-UHFFFAOYSA-N 0 0 567.759 5.993 50 10 KKCARN COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000102038218 554869116 /nfs/dbraw/zinc/86/91/16/554869116.db2.gz OUYUVQXIQONLBO-UUYOSTAYSA-N 0 0 540.395 6.027 50 10 KKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(O)c(OC)cc(Br)c2Br)N3)C1 ZINC000102092687 554878329 /nfs/dbraw/zinc/87/83/29/554878329.db2.gz QSHRMUPCNWTUNP-DGIBIBHMSA-N 0 0 558.336 6.957 50 10 KKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(O)c(OC)cc(Br)c2Br)N3)C1 ZINC000102092701 554878375 /nfs/dbraw/zinc/87/83/75/554878375.db2.gz QSHRMUPCNWTUNP-APBUJDDRSA-N 0 0 558.336 6.957 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129770 554884684 /nfs/dbraw/zinc/88/46/84/554884684.db2.gz RXINWHMOZDGYHY-UHFFFAOYSA-N 0 0 580.129 5.611 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102130121 554884974 /nfs/dbraw/zinc/88/49/74/554884974.db2.gz CUIUBEWIMORURJ-UHFFFAOYSA-N 0 0 580.129 5.611 50 10 KKCARN COc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)c1 ZINC000102280005 554906864 /nfs/dbraw/zinc/90/68/64/554906864.db2.gz FCKDULOVZQEAJE-UHFFFAOYSA-N 0 0 582.037 5.554 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(OC)c3N(C(=O)c3cccc(C)c3)C(C)(C)C2=S)S1 ZINC000102402758 554920079 /nfs/dbraw/zinc/92/00/79/554920079.db2.gz ZGSSXOINNYYGOQ-UHFFFAOYSA-N 0 0 555.699 5.519 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1OC ZINC000102496188 554940607 /nfs/dbraw/zinc/94/06/07/554940607.db2.gz JVOJQYZIFOZEDR-GDLZYMKVSA-N 0 0 542.705 6.638 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1OC ZINC000102496193 554940615 /nfs/dbraw/zinc/94/06/15/554940615.db2.gz JVOJQYZIFOZEDR-LJAQVGFWSA-N 0 0 542.705 6.638 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c(OC)c1 ZINC000102496291 554940807 /nfs/dbraw/zinc/94/08/07/554940807.db2.gz OXPQAOAXFWCLPF-LJAQVGFWSA-N 0 0 542.705 6.638 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102550050 554961263 /nfs/dbraw/zinc/96/12/63/554961263.db2.gz HELUHNMSOLNLLK-SLGZMBILSA-N 0 0 583.640 6.327 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102556128 554964739 /nfs/dbraw/zinc/96/47/39/554964739.db2.gz LNGOJRBOVGDPMW-MPFGFTFXSA-N 0 0 582.077 6.735 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102563607 554969097 /nfs/dbraw/zinc/96/90/97/554969097.db2.gz 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CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000102881806 555110465 /nfs/dbraw/zinc/11/04/65/555110465.db2.gz SCFIJAIPPNPAPO-PZGXJGMVSA-N 0 0 533.594 7.645 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102884506 555113530 /nfs/dbraw/zinc/11/35/30/555113530.db2.gz GNHRCODOBKECND-SSBOKUKZSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102884525 555113556 /nfs/dbraw/zinc/11/35/56/555113556.db2.gz HWKXPYBDTBUUTF-ULNSLHSMSA-N 0 0 568.431 7.449 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102886841 555117526 /nfs/dbraw/zinc/11/75/26/555117526.db2.gz QYQSKAPUHZQMEN-JFHPUIQFSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000102889219 555123207 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COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000103019007 555210775 /nfs/dbraw/zinc/21/07/75/555210775.db2.gz VSECMWWPNZFSJB-XDAJTCOGSA-N 0 0 550.105 5.025 50 10 KKCARN Cc1cc(C(=O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C)c(C)c1 ZINC000103053187 555234956 /nfs/dbraw/zinc/23/49/56/555234956.db2.gz KBWDUBQPBFFKDF-NRFANRHFSA-N 0 0 573.524 7.741 50 10 KKCARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000103060394 555241329 /nfs/dbraw/zinc/24/13/29/555241329.db2.gz BJPXDJDQIXFDPL-UHFFFAOYSA-N 0 0 569.658 5.932 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000103060279 555241345 /nfs/dbraw/zinc/24/13/45/555241345.db2.gz LBPLJNVAEGNWRU-UHFFFAOYSA-N 0 0 579.697 7.118 50 10 KKCARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103082607 555261513 /nfs/dbraw/zinc/26/15/13/555261513.db2.gz CMFGLEATJDYJCW-HXUWFJFHSA-N 0 0 559.047 5.284 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]12 ZINC000103110820 555285022 /nfs/dbraw/zinc/28/50/22/555285022.db2.gz XDPBYEMUYNKIGZ-PCCBWWKXSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 ZINC000103110816 555285059 /nfs/dbraw/zinc/28/50/59/555285059.db2.gz XDPBYEMUYNKIGZ-PWRODBHTSA-N 0 0 525.866 5.054 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)c2C)cc1 ZINC000103122059 555290986 /nfs/dbraw/zinc/29/09/86/555290986.db2.gz CTNRZGHNPNDVES-DEOSSOPVSA-N 0 0 548.640 5.432 50 10 KKCARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1cc(N(CC)CC)ccc1CN(C(=O)NC(C)C)C(C)C ZINC000103125803 555294148 /nfs/dbraw/zinc/29/41/48/555294148.db2.gz IFHXCQITYZRZES-UHFFFAOYSA-N 0 0 561.745 5.586 50 10 KKCARN Cc1cc(C(=O)CSC2=NC(=Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103129953 555298701 /nfs/dbraw/zinc/29/87/01/555298701.db2.gz VYNVKLVYJQDQRG-FDAWAROLSA-N 0 0 615.721 8.905 50 10 KKCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000103133353 555302826 /nfs/dbraw/zinc/30/28/26/555302826.db2.gz XRWVMEVRVJBLPE-CJAUYULYSA-N 0 0 551.663 7.075 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000103148279 555315151 /nfs/dbraw/zinc/31/51/51/555315151.db2.gz TYJLORYUTFELOJ-MCIGQYRZSA-N 0 0 558.082 6.817 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2cccs2)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103385867 555374043 /nfs/dbraw/zinc/37/40/43/555374043.db2.gz LGGRGQVTEDWWFQ-UHFFFAOYSA-N 0 0 553.533 6.474 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(SCc4cccc(C(=O)NCc5cccnc5)c4)n3)CC2)cc1 ZINC000103395199 555379830 /nfs/dbraw/zinc/37/98/30/555379830.db2.gz GZGZANCKNWFOQO-UHFFFAOYSA-N 0 0 594.663 5.448 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408947 555394727 /nfs/dbraw/zinc/39/47/27/555394727.db2.gz JIIIXHZHDPRRNN-DEOSSOPVSA-N 0 0 568.658 5.627 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408957 555395112 /nfs/dbraw/zinc/39/51/12/555395112.db2.gz JULGOESKKDJGQB-NRFANRHFSA-N 0 0 597.586 6.490 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418289 555398091 /nfs/dbraw/zinc/39/80/91/555398091.db2.gz FEBKAJWVMQIODB-UHFFFAOYSA-N 0 0 543.513 5.382 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103430324 555412623 /nfs/dbraw/zinc/41/26/23/555412623.db2.gz HYJOEVBUFJRGDL-CFRMEGHHSA-N 0 0 546.497 7.386 50 10 KKCARN CCN1c2ccccc2C=CC1=c1sc(=C2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)n(-c2ccccc2)c1=O ZINC000103507795 555421426 /nfs/dbraw/zinc/42/14/26/555421426.db2.gz KFNXWFZRYSTIJS-RRRPTAIISA-N 0 0 581.701 5.184 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103519213 555424583 /nfs/dbraw/zinc/42/45/83/555424583.db2.gz RPGAGWDVVYGSRA-RTOKGZNSSA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103519215 555424587 /nfs/dbraw/zinc/42/45/87/555424587.db2.gz RPGAGWDVVYGSRA-IWWXRALLSA-N 0 0 589.619 6.168 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103524843 555428008 /nfs/dbraw/zinc/42/80/08/555428008.db2.gz VVSGPPFNYKCHIX-RTOKGZNSSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103531698 555431896 /nfs/dbraw/zinc/43/18/96/555431896.db2.gz AIZCHOJOLGEWAW-IWWXRALLSA-N 0 0 571.629 6.029 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103532237 555432499 /nfs/dbraw/zinc/43/24/99/555432499.db2.gz PBDXHYMPLMNADN-CYXNTTPDSA-N 0 0 530.451 7.042 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103534412 555434813 /nfs/dbraw/zinc/43/48/13/555434813.db2.gz PWHHUEUIIXSZFR-ULNSLHSMSA-N 0 0 526.548 5.911 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103535324 555435020 /nfs/dbraw/zinc/43/50/20/555435020.db2.gz IPEGLIQXORRPHH-XWHIBYANSA-N 0 0 555.630 6.329 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103542897 555439432 /nfs/dbraw/zinc/43/94/32/555439432.db2.gz YFEBTZDEIHLWQO-NGDRWEMDSA-N 0 0 580.467 7.318 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103544588 555440019 /nfs/dbraw/zinc/44/00/19/555440019.db2.gz BWBPVSURGHCPLB-NLDZOOGBSA-N 0 0 566.078 7.117 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103547029 555441355 /nfs/dbraw/zinc/44/13/55/555441355.db2.gz YDTAWHYCKXEPTF-AYQJTBPPSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103547816 555441615 /nfs/dbraw/zinc/44/16/15/555441615.db2.gz AZKCTTHVOSEGNN-IWWXRALLSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103548021 555442024 /nfs/dbraw/zinc/44/20/24/555442024.db2.gz SWIKTGVFLMYNKU-IWWXRALLSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103548921 555442414 /nfs/dbraw/zinc/44/24/14/555442414.db2.gz XENQWZGEJNHLGN-OCBJUFRSSA-N 0 0 556.574 5.920 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000103551266 555443739 /nfs/dbraw/zinc/44/37/39/555443739.db2.gz IBCXAROBBTZHKX-CEUYOYMZSA-N 0 0 585.656 6.337 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103553997 555445144 /nfs/dbraw/zinc/44/51/44/555445144.db2.gz FOOAXAGGNVZUDV-IDZRBWSNSA-N 0 0 564.106 7.841 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000103555917 555446245 /nfs/dbraw/zinc/44/62/45/555446245.db2.gz FEAKJRLNMOIUML-YAFWASLJSA-N 0 0 597.711 7.219 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000103771732 555475308 /nfs/dbraw/zinc/47/53/08/555475308.db2.gz JPQSYBHNBQGHTQ-YVVITCHPSA-N 0 0 528.823 5.998 50 10 KKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1cccc(I)c1 ZINC000103793211 555481604 /nfs/dbraw/zinc/48/16/04/555481604.db2.gz UIOICIVMIUWKDN-DEDYPNTBSA-N 0 0 543.407 5.916 50 10 KKCARN CC(=O)[C@](N=Nc1ccccc1)(Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000252623299 562881760 /nfs/dbraw/zinc/88/17/60/562881760.db2.gz OOFNZGUUKNOAIX-PMERELPUSA-N 0 0 532.629 6.734 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000103896080 571368845 /nfs/dbraw/zinc/36/88/45/571368845.db2.gz OFPKLLRHMMARFW-RLVFLBDKSA-N 0 0 547.507 7.786 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@@H]3C2)cc1 ZINC000103899911 571368955 /nfs/dbraw/zinc/36/89/55/571368955.db2.gz ZMMRDSKYZOBYPV-LMSSTIIKSA-N 0 0 534.582 5.683 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000104018440 571371341 /nfs/dbraw/zinc/37/13/41/571371341.db2.gz ZGECGQVULOQQRI-LHHUKBANSA-N 0 0 572.617 5.518 50 10 KKCARN O=C1O[C@H](C(Cl)(Cl)Cl)c2c1c1c(c(O)c2O)O[C@@H](C(Cl)(Cl)Cl)O[C@H]1C(Cl)(Cl)Cl ZINC000104100445 571373901 /nfs/dbraw/zinc/37/39/01/571373901.db2.gz XGIHPIQVYWFJKG-QXFUBDJGSA-N 0 0 576.254 6.196 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000104139337 571374708 /nfs/dbraw/zinc/37/47/08/571374708.db2.gz WAUXDRMTPJUKAE-SIKLNZKXSA-N 0 0 534.635 6.813 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104164469 571375833 /nfs/dbraw/zinc/37/58/33/571375833.db2.gz JXCCGXXMBRFCLA-QNLPTKCRSA-N 0 0 509.650 7.111 50 10 KKCARN Cc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000104194108 571376570 /nfs/dbraw/zinc/37/65/70/571376570.db2.gz FLWPGIQWUQPVHB-OITSGCTBSA-N 0 0 605.996 7.463 50 10 KKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000105163041 571391929 /nfs/dbraw/zinc/39/19/29/571391929.db2.gz FHILUQARTCRRRW-IECBHUPTSA-N 0 0 532.812 7.795 50 10 KKCARN O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1CNc1ccccc1I ZINC000105408261 571404738 /nfs/dbraw/zinc/40/47/38/571404738.db2.gz QARUZLIOVWBALU-OQLLNIDSSA-N 0 0 578.238 5.167 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000106019164 571410744 /nfs/dbraw/zinc/41/07/44/571410744.db2.gz MSOISGVNYRETKW-QMOZSOIISA-N 0 0 618.483 6.691 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2F)[C@H]1C(=O)c1ccccc1 ZINC000106021088 571410851 /nfs/dbraw/zinc/41/08/51/571410851.db2.gz PUPCOLTZMGEGFH-QMOZSOIISA-N 0 0 557.577 6.067 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000106020436 571410912 /nfs/dbraw/zinc/41/09/12/571410912.db2.gz MVBUKRLFWCHORB-PFBJBMPXSA-N 0 0 555.577 7.083 50 10 KKCARN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCOCC3)=NC2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000109369397 571429029 /nfs/dbraw/zinc/42/90/29/571429029.db2.gz GCIUKNWBGIQOCY-VCQCAQGDSA-N 0 0 522.670 6.333 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000111440669 571432004 /nfs/dbraw/zinc/43/20/04/571432004.db2.gz XKISLGIZBXJDDO-GAKIBJFNSA-N 0 0 519.881 7.583 50 10 KKCARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000111478807 571433339 /nfs/dbraw/zinc/43/33/39/571433339.db2.gz YCUQMZCGZGWQBP-ITLAICGJSA-N 0 0 518.704 6.425 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(C)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000113627881 571441569 /nfs/dbraw/zinc/44/15/69/571441569.db2.gz KCZWJXISRJAXSK-QFIPXVFZSA-N 0 0 533.646 5.651 50 10 KKCARN O=C1C[C@H](Sc2ccc(NC(=S)Nc3ccccc3)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000113627529 571441620 /nfs/dbraw/zinc/44/16/20/571441620.db2.gz JRMMMYBEXWHAHX-OHAPQNGISA-N 0 0 537.670 7.335 50 10 KKCARN COC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000113627886 571441633 /nfs/dbraw/zinc/44/16/33/571441633.db2.gz OEBNDPSLEUQDKO-IBGZPJMESA-N 0 0 584.488 5.715 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000113628229 571441723 /nfs/dbraw/zinc/44/17/23/571441723.db2.gz BEHULFJSCKBJOS-HXUWFJFHSA-N 0 0 537.609 5.481 50 10 KKCARN O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000113659590 571442279 /nfs/dbraw/zinc/44/22/79/571442279.db2.gz KJTUKWROWJJLEQ-GMULRGRFSA-N 0 0 575.477 8.085 50 10 KKCARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1OC ZINC000150345185 571459863 /nfs/dbraw/zinc/45/98/63/571459863.db2.gz FPDHMGZGCHIFQF-HRVREYSGSA-N 0 0 694.857 7.274 50 10 KKCARN COc1ccccc1OCCOc1c(I)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1OC ZINC000150345941 571460226 /nfs/dbraw/zinc/46/02/26/571460226.db2.gz YETWQNLHGJUBCU-GGBVIPQWSA-N 0 0 653.498 6.070 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000150346180 571460368 /nfs/dbraw/zinc/46/03/68/571460368.db2.gz FCTFOMBHGFPCSY-VVNJJRPXSA-N 0 0 627.891 6.836 50 10 KKCARN COc1cc(NC(=O)[C@@H](N=Nc2ccc(-c3ccc(N=N[C@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348889 571461302 /nfs/dbraw/zinc/46/13/02/571461302.db2.gz CTCGHGAGCLXAHB-BESOKIOGSA-N 0 0 752.055 9.308 50 10 KKCARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150350745 571462024 /nfs/dbraw/zinc/46/20/24/571462024.db2.gz OVDXVTPIXDKTBT-QFEZKATASA-N 0 0 626.960 5.643 50 10 KKCARN O=C1/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000150385591 571468958 /nfs/dbraw/zinc/46/89/58/571468958.db2.gz YGXNEZOQNQPTLW-NHDPSOOVSA-N 0 0 638.334 7.239 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000150386000 571469222 /nfs/dbraw/zinc/46/92/22/571469222.db2.gz GYMVJZNHRVSUFT-LSHDLFTRSA-N 0 0 708.708 9.555 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000150388656 571470932 /nfs/dbraw/zinc/47/09/32/571470932.db2.gz ITRJNTMILHVWCT-DFEHQXHXSA-N 0 0 728.332 6.333 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000150388653 571470987 /nfs/dbraw/zinc/47/09/87/571470987.db2.gz ITRJNTMILHVWCT-REPVBDINSA-N 0 0 728.332 6.333 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(NCCc4ccc(OC)c(OC)c4)c(S(=O)(=O)Nc4cccc(OC)c4)c3)CC2)cc1 ZINC000150397133 571476823 /nfs/dbraw/zinc/47/68/23/571476823.db2.gz FIQXKZYKAJYHDQ-UHFFFAOYSA-N 0 0 660.793 5.139 50 10 KKCARN Nc1ccc(Oc2ccc3nc4c5cc(I)ccc5c5ccc(I)cc5c4nc3c2)cc1 ZINC000150407079 571480056 /nfs/dbraw/zinc/48/00/56/571480056.db2.gz PVISHOPBCPSTRK-UHFFFAOYSA-N 0 0 639.234 7.673 50 10 KKCARN O=C(C(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C(=O)C(=O)c6ccccc6)cc4)C5=O)cc3C2=O)cc1)c1ccccc1 ZINC000150414307 571484954 /nfs/dbraw/zinc/48/49/54/571484954.db2.gz XEPYMBKTNUQTJB-UHFFFAOYSA-N 0 0 724.681 7.211 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000150424781 571489307 /nfs/dbraw/zinc/48/93/07/571489307.db2.gz WUEXTJYZHNSMCL-KKNDKESCSA-N 0 0 646.257 6.448 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000150424890 571489509 /nfs/dbraw/zinc/48/95/09/571489509.db2.gz SXYBUUOPMYJCNT-RGVLZGJSSA-N 0 0 683.622 8.411 50 10 KKCARN CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000150437060 571496644 /nfs/dbraw/zinc/49/66/44/571496644.db2.gz PVYJFICRGCBCIP-YTTGMZPUSA-N 0 0 631.578 8.787 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150440403 571498015 /nfs/dbraw/zinc/49/80/15/571498015.db2.gz HKAYRHDTCPBZNS-BHPJPYPXSA-N 0 0 674.222 7.158 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(OC)cc3N(C(=O)c3ccc(I)cc3)C(C)(C)C2=S)S1 ZINC000150454110 571504004 /nfs/dbraw/zinc/50/40/04/571504004.db2.gz YUINCPBOVXEMGW-UHFFFAOYSA-N 0 0 667.568 5.815 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150586602 571521969 /nfs/dbraw/zinc/52/19/69/571521969.db2.gz FFSSRDDNUMSJMT-ASUDJVGYSA-N 0 0 662.336 7.490 50 10 KKCARN COc1cc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000159237144 571529881 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C[Si]1(C)C(c2ccc(CN=[N+]=[N-])cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(CN=[N+]=[N-])cc1 ZINC000206215715 571572353 /nfs/dbraw/zinc/57/23/53/571572353.db2.gz ZMHVJCSUTIHLNO-UHFFFAOYSA-N 0 0 524.704 9.629 50 10 KKCARN CN(C)c1ccc(/C=C2/N=C(SCC(=O)Nc3ccccc3OC(F)(F)F)N(c3ccccc3)C2=O)cc1 ZINC000215749934 571585762 /nfs/dbraw/zinc/58/57/62/571585762.db2.gz FOFHPPLXPPMXJA-CJLVFECKSA-N 0 0 540.567 5.767 50 10 KKCARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)c(N)c32)cc1 ZINC000215745886 571585804 /nfs/dbraw/zinc/58/58/04/571585804.db2.gz OWAROFOFWABCDJ-UHFFFAOYSA-N 0 0 578.694 7.074 50 10 KKCARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000217664748 571602284 /nfs/dbraw/zinc/60/22/84/571602284.db2.gz VSECMWWPNZFSJB-KKVCJECGSA-N 0 0 550.105 5.025 50 10 KKCARN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)NC1=S ZINC000220958078 571604115 /nfs/dbraw/zinc/60/41/15/571604115.db2.gz XZUICKIMWRGOFG-CXUHLZMHSA-N 0 0 514.214 5.007 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@@H]3C2)cc1 ZINC000226813675 572141283 /nfs/dbraw/zinc/14/12/83/572141283.db2.gz UWUPDEOBNQWGSH-YTMVLYRLSA-N 0 0 501.030 5.317 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000227016375 572146532 /nfs/dbraw/zinc/14/65/32/572146532.db2.gz JJWHMQLXDSNJRH-DTXPUJKBSA-N 0 0 564.468 7.618 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227029308 572147968 /nfs/dbraw/zinc/14/79/68/572147968.db2.gz QAWFPNSXOFUKCF-DSPMFFIESA-N 0 0 571.648 7.274 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000227027024 572148191 /nfs/dbraw/zinc/14/81/91/572148191.db2.gz DDNLMDFNYKTXIQ-DTXPUJKBSA-N 0 0 564.468 7.618 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000227029664 572148356 /nfs/dbraw/zinc/14/83/56/572148356.db2.gz HIAZGHOUMKZVTR-RWSKJCERSA-N 0 0 557.577 6.067 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000227083601 572149725 /nfs/dbraw/zinc/14/97/25/572149725.db2.gz HWKXPYBDTBUUTF-YTCPBCGMSA-N 0 0 568.431 7.449 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000227083987 572149732 /nfs/dbraw/zinc/14/97/32/572149732.db2.gz ZWAAKBJIFINYEA-JBOQNHBVSA-N 0 0 592.464 7.213 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000227084739 572149827 /nfs/dbraw/zinc/14/98/27/572149827.db2.gz VBKDRVPWWJTYBC-NHKHRBQYSA-N 0 0 594.892 7.419 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227241152 572152284 /nfs/dbraw/zinc/15/22/84/572152284.db2.gz LAPYRLLXPSDQEA-YPKYBTACSA-N 0 0 559.593 6.159 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000229608888 572156026 /nfs/dbraw/zinc/15/60/26/572156026.db2.gz KHQDMADGRDSMNN-DTXPUJKBSA-N 0 0 530.023 6.965 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000229855968 572160795 /nfs/dbraw/zinc/16/07/95/572160795.db2.gz OFVFCZYLNLKYDK-NHKHRBQYSA-N 0 0 594.892 7.419 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229871444 572163789 /nfs/dbraw/zinc/16/37/89/572163789.db2.gz MYHOACNLOGGVLD-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229873867 572164376 /nfs/dbraw/zinc/16/43/76/572164376.db2.gz OTNMJOFFHPGHSO-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229885973 572165086 /nfs/dbraw/zinc/16/50/86/572165086.db2.gz JTRSKHNHDZNKBW-JBOQNHBVSA-N 0 0 556.574 5.920 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229889805 572165545 /nfs/dbraw/zinc/16/55/45/572165545.db2.gz LUTFNRKODUEOGA-FRXPANAUSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229892287 572165706 /nfs/dbraw/zinc/16/57/06/572165706.db2.gz GDLYATLKQXQMIE-CHQNGUEUSA-N 0 0 541.603 6.020 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229891590 572165731 /nfs/dbraw/zinc/16/57/31/572165731.db2.gz QQFBTAGDOYIDAD-RWSKJCERSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000229895719 572166556 /nfs/dbraw/zinc/16/65/56/572166556.db2.gz YFUVQTWGQLWTQN-NHKHRBQYSA-N 0 0 530.555 5.546 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000229898137 572166694 /nfs/dbraw/zinc/16/66/94/572166694.db2.gz UAJVMCLXWSULPS-VXNXHJTFSA-N 0 0 544.401 5.268 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229901119 572167524 /nfs/dbraw/zinc/16/75/24/572167524.db2.gz VWKOHKSEZVOYNU-DTXPUJKBSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229905737 572167922 /nfs/dbraw/zinc/16/79/22/572167922.db2.gz JXARGLCDPATYJW-YPKYBTACSA-N 0 0 560.049 6.973 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229903737 572168034 /nfs/dbraw/zinc/16/80/34/572168034.db2.gz RBVRGBLXCOIQQA-BMPTZRATSA-N 0 0 581.712 7.600 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229904928 572168090 /nfs/dbraw/zinc/16/80/90/572168090.db2.gz FILWQPBIHZZSNB-RWSKJCERSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229908195 572168413 /nfs/dbraw/zinc/16/84/13/572168413.db2.gz JVNQGQYQKTUPDG-IARZGTGTSA-N 0 0 565.666 6.069 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229913850 572168934 /nfs/dbraw/zinc/16/89/34/572168934.db2.gz VOSIZXWBENCUJT-YPKYBTACSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229914752 572169011 /nfs/dbraw/zinc/16/90/11/572169011.db2.gz CTDZVSYQIZUPBT-IARZGTGTSA-N 0 0 556.058 6.406 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229913131 572169023 /nfs/dbraw/zinc/16/90/23/572169023.db2.gz FBNXZXYRJJRPRL-VJGNERBWSA-N 0 0 586.084 6.414 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229915865 572169040 /nfs/dbraw/zinc/16/90/40/572169040.db2.gz DKXOUUMGFBGWDC-ZGIBFIJWSA-N 0 0 577.658 6.090 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229913181 572169096 /nfs/dbraw/zinc/16/90/96/572169096.db2.gz GYLFYPQXGGXVBF-OJDZSJEKSA-N 0 0 590.075 6.982 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229921958 572169525 /nfs/dbraw/zinc/16/95/25/572169525.db2.gz YTNBWOUSBKXNFJ-HZFUHODCSA-N 0 0 556.058 6.406 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229922068 572169730 /nfs/dbraw/zinc/16/97/30/572169730.db2.gz HXKDIVHBNWKENG-YPKYBTACSA-N 0 0 560.049 6.973 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229930451 572170828 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/nfs/dbraw/zinc/85/72/07/1072857207.db2.gz YLSVOGJKFIPBEU-UHFFFAOYSA-N 0 0 504.502 5.698 50 10 KKCARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254757410 1072876864 /nfs/dbraw/zinc/87/68/64/1072876864.db2.gz OEMWUGHDKFDJNY-UHFFFAOYSA-N 0 0 501.546 6.750 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2sc(=Cc4ccccc4[N+](=O)[O-])c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000254852018 1072885493 /nfs/dbraw/zinc/88/54/93/1072885493.db2.gz CXMPQWBMCKMPDJ-CHMPFZQSSA-N 0 0 591.737 5.523 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000254865268 1072885836 /nfs/dbraw/zinc/88/58/36/1072885836.db2.gz CPWJTLQSFWHKSN-UHFFFAOYSA-N 0 0 548.565 7.634 50 10 KKCARN COc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C/c3ccc(N(C)C)cc3)CCC2)ccc1OC(F)F ZINC000254872633 1072887200 /nfs/dbraw/zinc/88/72/00/1072887200.db2.gz QEZJCHZWBQAZNB-RKNWTWGDSA-N 0 0 642.772 6.225 50 10 KKCARN COc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C\c3ccc(N(C)C)cc3)CCC2)ccc1OC(F)F ZINC000254872635 1072887870 /nfs/dbraw/zinc/88/78/70/1072887870.db2.gz QEZJCHZWBQAZNB-XNQDACCYSA-N 0 0 642.772 6.225 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc([C@H](C)CC)cc1 ZINC000059211773 193891326 /nfs/dbraw/zinc/89/13/26/193891326.db2.gz UFZTXYBIDXXQIZ-FSLDEXMDSA-N 0 0 596.214 8.502 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100365337 193902552 /nfs/dbraw/zinc/90/25/52/193902552.db2.gz VMZZSPNCCWJIRJ-CVKSISIWSA-N 0 0 562.510 7.596 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000000729100 551539057 /nfs/dbraw/zinc/53/90/57/551539057.db2.gz SRGOWGFCXUWHJW-UHFFFAOYSA-N 0 0 513.591 5.283 50 10 KKCARN Cc1ccc([C@H]2C3(O[C@H](c4ccc(Br)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000000822815 551544271 /nfs/dbraw/zinc/54/42/71/551544271.db2.gz NBZCJMKTRNCKLX-MXBOTTGLSA-N 0 0 577.430 6.496 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cccc(OC)c3)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000001148811 551619096 /nfs/dbraw/zinc/61/90/96/551619096.db2.gz BNOBRXKKHMMQGC-UHFFFAOYSA-N 0 0 525.627 5.153 50 10 KKCARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000001218263 551626868 /nfs/dbraw/zinc/62/68/68/551626868.db2.gz AVIWWRLNTXPXJD-OVCLIPMQSA-N 0 0 501.349 5.308 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N1CCCc2ccccc21 ZINC000001217467 551626881 /nfs/dbraw/zinc/62/68/81/551626881.db2.gz CUBOVZIKMCMCJT-HKWRFOASSA-N 0 0 501.471 5.410 50 10 KKCARN CCOc1ccc([C@H]2C3(O[C@@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001218483 551627122 /nfs/dbraw/zinc/62/71/22/551627122.db2.gz NAXLMQXYXIDFAB-ZUKKLESISA-N 0 0 563.005 6.477 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000001237770 551629954 /nfs/dbraw/zinc/62/99/54/551629954.db2.gz XEBWZLNOIWLESS-UCQKPKSFSA-N 0 0 518.641 5.836 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(C)C ZINC000001304962 551638467 /nfs/dbraw/zinc/63/84/67/551638467.db2.gz JVLCHPPGPJSUTD-KQWNVCNZSA-N 0 0 523.680 5.324 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000001302747 551638518 /nfs/dbraw/zinc/63/85/18/551638518.db2.gz UHHMYSFKCDQIRN-DQRAZIAOSA-N 0 0 545.608 5.595 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000001315276 551640497 /nfs/dbraw/zinc/64/04/97/551640497.db2.gz JVNQGQYQKTUPDG-FCEKVYKBSA-N 0 0 565.666 6.069 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000001319121 551640956 /nfs/dbraw/zinc/64/09/56/551640956.db2.gz SOQYNSVNFCZZBP-OWHBQTKESA-N 0 0 585.656 6.337 50 10 biogenic KKCARN CCOC(=O)c1oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)c(=O)c1-c1ccc(Br)cc1 ZINC000001463724 551679705 /nfs/dbraw/zinc/67/97/05/551679705.db2.gz AFRLFAAMHQLWRN-OAHLLOKOSA-N 0 0 500.389 5.479 50 10 KKCARN COc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4Cl)SC3=S)s2)cc1 ZINC000001750744 551693011 /nfs/dbraw/zinc/69/30/11/551693011.db2.gz MSADNUOBSXBVBZ-MOSHPQCFSA-N 0 0 530.096 5.626 50 10 KKCARN CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000001751536 551693398 /nfs/dbraw/zinc/69/33/98/551693398.db2.gz FDJYTLWRCZQZPZ-JGCGQSQUSA-N 0 0 568.681 7.730 50 10 KKCARN CCN(CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000001758772 551694087 /nfs/dbraw/zinc/69/40/87/551694087.db2.gz WDQPOBPDBYIJCU-JGCGQSQUSA-N 0 0 583.696 7.233 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N12 ZINC000001765211 551694882 /nfs/dbraw/zinc/69/48/82/551694882.db2.gz SQSAJDOXKVJWGV-UODIDJSMSA-N 0 0 585.454 6.406 50 10 KKCARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1Cl ZINC000001766877 551695192 /nfs/dbraw/zinc/69/51/92/551695192.db2.gz IFZJZBWSJPHFEK-VIZOYTHASA-N 0 0 502.242 5.596 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1C(F)(F)F ZINC000001766862 551695199 /nfs/dbraw/zinc/69/51/99/551695199.db2.gz CYJZBYWYCNXOIE-DHDCSXOGSA-N 0 0 501.349 5.308 50 10 KKCARN CCCC[N@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000001782074 551698506 /nfs/dbraw/zinc/69/85/06/551698506.db2.gz HDTYQMOLGCEFAX-UHFFFAOYSA-N 0 0 500.311 6.304 50 10 KKCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000001788416 551701098 /nfs/dbraw/zinc/70/10/98/551701098.db2.gz NLCHEDZWHVHOPW-JJIBRWJFSA-N 0 0 502.686 6.806 50 10 KKCARN Cc1cc(Oc2c(=O)c3ccc([O-])c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000001791598 551701679 /nfs/dbraw/zinc/70/16/79/551701679.db2.gz ZXRDJOVEISISLD-UHFFFAOYSA-N 0 0 511.968 7.386 50 10 KKCARN N=C1/C(=C\c2ccccc2OCCOc2ccc(C3CCCCC3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000001817069 551707904 /nfs/dbraw/zinc/70/79/04/551707904.db2.gz GPJZMIFMNNABGZ-YLCMDZTKSA-N 0 0 542.583 6.374 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000001817669 551708165 /nfs/dbraw/zinc/70/81/65/551708165.db2.gz YBJZIGQMHHUFBO-OLUZHXLYSA-N 0 0 559.593 6.159 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000001817567 551708174 /nfs/dbraw/zinc/70/81/74/551708174.db2.gz MEBZJBARKPZHQO-IAGOWNOFSA-N 0 0 520.651 6.277 50 10 KKCARN CC1CC[NH+](Cc2c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc32)CC1 ZINC000001822101 551708988 /nfs/dbraw/zinc/70/89/88/551708988.db2.gz ZCGRHPHECQUEPJ-UHFFFAOYSA-N 0 0 511.441 6.284 50 10 KKCARN N=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000001853472 551716041 /nfs/dbraw/zinc/71/60/41/551716041.db2.gz RRWCLFNCPQDQRL-DHRCOFPMSA-N 0 0 551.697 6.620 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000001868679 551718772 /nfs/dbraw/zinc/71/87/72/551718772.db2.gz DCSGPQSKPVQVDX-OWHBQTKESA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000001869160 551719061 /nfs/dbraw/zinc/71/90/61/551719061.db2.gz DPKSVQWZSYDPMD-ILJQZKEFSA-N 0 0 577.036 6.162 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000001873800 551720756 /nfs/dbraw/zinc/72/07/56/551720756.db2.gz RDOJZBRSRBZALW-VJGNERBWSA-N 0 0 556.470 7.371 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000001874211 551721171 /nfs/dbraw/zinc/72/11/71/551721171.db2.gz LJAAUILCCWGXDI-IWWXRALLSA-N 0 0 589.619 6.168 50 10 KKCARN CCOc1ccccc1N=C1Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000001877751 551723405 /nfs/dbraw/zinc/72/34/05/551723405.db2.gz LWAWUDJXMURLAJ-YTTGMZPUSA-N 0 0 567.697 7.441 50 10 KKCARN COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)c(OC)c1 ZINC000001879647 551723879 /nfs/dbraw/zinc/72/38/79/551723879.db2.gz BVKYQKNXJVIBCV-YTTGMZPUSA-N 0 0 583.696 7.059 50 10 KKCARN COc1ccc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001882570 551724347 /nfs/dbraw/zinc/72/43/47/551724347.db2.gz FLAANYMZFNWPRL-NVMNQCDNSA-N 0 0 545.766 5.737 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000001890247 551726281 /nfs/dbraw/zinc/72/62/81/551726281.db2.gz CFXHKBVAOAKWKC-BKUYFWCQSA-N 0 0 589.920 6.236 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001891702 551726666 /nfs/dbraw/zinc/72/66/66/551726666.db2.gz HVBKQLODOMMVSY-OCBJUFRSSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC(=O)c1ccccc1Br ZINC000002050644 551738528 /nfs/dbraw/zinc/73/85/28/551738528.db2.gz BROJHPLZDROKBD-KGENOOAVSA-N 0 0 526.433 6.083 50 10 KKCARN CN(C)c1cccc2c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(Cl)(Cl)Cl)ccc(N(C)C)c21 ZINC000002058471 551740686 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RDWINURNJHIWJZ-VHXPQNKSSA-N 0 0 507.681 5.440 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S ZINC000016729860 553575998 /nfs/dbraw/zinc/57/59/98/553575998.db2.gz SALLAUACHUVBCC-ONUIUJJFSA-N 0 0 519.736 7.274 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000016730470 553576465 /nfs/dbraw/zinc/57/64/65/553576465.db2.gz LOKSTAZYHKVJOJ-KQWNVCNZSA-N 0 0 512.100 6.983 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCc3ccccc3)C2=O)SC1=S ZINC000016733043 553577938 /nfs/dbraw/zinc/57/79/38/553577938.db2.gz GMAQCONPYCIVKP-LYEHZDMLSA-N 0 0 521.708 5.137 50 10 KKCARN CCCC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000016790883 553582685 /nfs/dbraw/zinc/58/26/85/553582685.db2.gz DNNBTOAOILLBAQ-QLRFGTIISA-N 0 0 500.883 6.618 50 10 KKCARN Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000017721307 553599234 /nfs/dbraw/zinc/59/92/34/553599234.db2.gz UWWLAGMURWEMSR-GOSMILLSSA-N 0 0 518.708 5.448 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000070673594 553603680 /nfs/dbraw/zinc/60/36/80/553603680.db2.gz HHNBFKIYMQNQFW-DYIKCSJPSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)/C(=C/c3ccccc3Cl)S4)CC2)cc1 ZINC000020180306 553604001 /nfs/dbraw/zinc/60/40/01/553604001.db2.gz FHWDAJOHPUJNDX-ITYLOYPMSA-N 0 0 520.054 5.421 50 10 KKCARN CC(C)c1ccc2c(c1)[C@H](N1CCN(CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370899 553614497 /nfs/dbraw/zinc/61/44/97/553614497.db2.gz IIZOUEFDIZMEFL-MUUNZHRXSA-N 0 0 520.689 7.117 50 10 KKCARN CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370897 553614645 /nfs/dbraw/zinc/61/46/45/553614645.db2.gz IIZOUEFDIZMEFL-NDEPHWFRSA-N 0 0 520.689 7.117 50 10 KKCARN COc1ccc(N2CCN(c3c4cc(F)ccc4ncc3S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000020382188 553643787 /nfs/dbraw/zinc/64/37/87/553643787.db2.gz RIHXWQKVKKVEPW-UHFFFAOYSA-N 0 0 505.615 5.159 50 10 KKCARN COc1ccc(N2CCN(C(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)CC2)cc1 ZINC000072326233 553648774 /nfs/dbraw/zinc/64/87/74/553648774.db2.gz QNLVFFKIXJYAPU-VSOVLZJYSA-N 0 0 566.827 5.751 50 10 biogenic KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cc(F)cc(F)c3)ccc21 ZINC000020730861 553691811 /nfs/dbraw/zinc/69/18/11/553691811.db2.gz ZTYRMWFZYMKCEY-UHFFFAOYSA-N 0 0 516.702 5.439 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(C)c3C)ccc21 ZINC000020730853 553691814 /nfs/dbraw/zinc/69/18/14/553691814.db2.gz SQHFFRIJJXZSDA-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(Cl)c3)ccc21 ZINC000020730870 553691825 /nfs/dbraw/zinc/69/18/25/553691825.db2.gz JTIVVIYGEQNASY-UHFFFAOYSA-N 0 0 515.167 5.814 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020730502 553691887 /nfs/dbraw/zinc/69/18/87/553691887.db2.gz FPJHCXBFNORHDK-UHFFFAOYSA-N 0 0 534.692 5.789 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(C)cc3C)ccc21 ZINC000020731824 553692139 /nfs/dbraw/zinc/69/21/39/553692139.db2.gz FISFMFGQJPDTGX-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4OC)c(Cl)c3)C(=N)N12 ZINC000020114744 553695721 /nfs/dbraw/zinc/69/57/21/553695721.db2.gz MAXINGFMGPHGGG-VZKNCDIUSA-N 0 0 517.032 5.136 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000020764212 553696299 /nfs/dbraw/zinc/69/62/99/553696299.db2.gz ZVNKGXAHYQYQPI-QPPBQGQZSA-N 0 0 503.799 6.568 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccccc2F)N1 ZINC000020763897 553696318 /nfs/dbraw/zinc/69/63/18/553696318.db2.gz MBKVWAPSQVSDRB-IFMALSPDSA-N 0 0 504.197 6.279 50 10 KKCARN COc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764574 553696717 /nfs/dbraw/zinc/69/67/17/553696717.db2.gz BTIJGNUIDWJPPH-ZJSXRUAMSA-N 0 0 501.808 6.048 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cc(Br)ccc2F)N1 ZINC000020764850 553697015 /nfs/dbraw/zinc/69/70/15/553697015.db2.gz REUYQEFEHSCAHT-XXBNENTESA-N 0 0 503.755 5.898 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000020765231 553697065 /nfs/dbraw/zinc/69/70/65/553697065.db2.gz KVYXHWZSCLDKNC-JPYJTQIMSA-N 0 0 503.755 5.898 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000095471458 553701394 /nfs/dbraw/zinc/70/13/94/553701394.db2.gz JQORBDNHQARLDY-UQQQWYQISA-N 0 0 517.010 6.013 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000095660868 553706559 /nfs/dbraw/zinc/70/65/59/553706559.db2.gz DUTKNRZJLCOWIU-YUYYFGHPSA-N 0 0 563.506 7.023 50 10 KKCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000095670565 553707052 /nfs/dbraw/zinc/70/70/52/553707052.db2.gz GALWGXXDZJDEHQ-UHFFFAOYSA-N 0 0 534.328 6.704 50 10 KKCARN CN(C)c1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000021865666 553718719 /nfs/dbraw/zinc/71/87/19/553718719.db2.gz MVVDXBTVACJEIG-LJAQVGFWSA-N 0 0 517.029 5.199 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@H](C)C4)c(C)n1-c1cccc(F)c1 ZINC000096022133 553719637 /nfs/dbraw/zinc/71/96/37/553719637.db2.gz GWAZWPFCOFWUPG-SFHVURJKSA-N 0 0 557.716 7.094 50 10 KKCARN COc1ccc(C2=C(C=C3SC(=S)NC3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000022079070 553725691 /nfs/dbraw/zinc/72/56/91/553725691.db2.gz TUBMCWFINYNDCB-JCHYSQADSA-N 0 0 501.629 5.980 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)NC(C)C)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290278 553743368 /nfs/dbraw/zinc/74/33/68/553743368.db2.gz JWJSDTOWVMYKMG-UHFFFAOYSA-N 0 0 527.609 5.402 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096290282 553743427 /nfs/dbraw/zinc/74/34/27/553743427.db2.gz CWVZXGXRTZXWES-UHFFFAOYSA-N 0 0 531.502 5.238 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000096294655 553748116 /nfs/dbraw/zinc/74/81/16/553748116.db2.gz YGYOGXBIWSWEEW-UHFFFAOYSA-N 0 0 528.502 5.549 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000096325062 553752022 /nfs/dbraw/zinc/75/20/22/553752022.db2.gz KZWBGUXNUSAWDF-CPJSRVTESA-N 0 0 513.363 5.644 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCc4ccc(F)cc4)[C@@H]3C2)cc1 ZINC000096457184 553754533 /nfs/dbraw/zinc/75/45/33/553754533.db2.gz ARSNADAFFCQCDF-AHWVRZQESA-N 0 0 513.535 5.037 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C3=C2C(=O)N(c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 ZINC000096593632 553756645 /nfs/dbraw/zinc/75/66/45/553756645.db2.gz JIXRIPWIWLNIGO-MMVBWKDVSA-N 0 0 524.664 7.899 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccc(OCC)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000097944204 553769063 /nfs/dbraw/zinc/76/90/63/553769063.db2.gz YHZDXYOSNHBNHV-QCKNELIISA-N 0 0 587.788 7.975 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000097944906 553770400 /nfs/dbraw/zinc/77/04/00/553770400.db2.gz QSCWCBJZRXBGRY-BXMULHQWSA-N 0 0 652.600 5.759 50 10 KKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)c(C)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000097944965 553770631 /nfs/dbraw/zinc/77/06/31/553770631.db2.gz DMCFCNWZOFVTBW-BGABXYSRSA-N 0 0 557.762 7.803 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000097946081 553776476 /nfs/dbraw/zinc/77/64/76/553776476.db2.gz NJIPYZKFZUUNAZ-ANYBSYGZSA-N 0 0 553.753 7.471 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1 ZINC000097946123 553776657 /nfs/dbraw/zinc/77/66/57/553776657.db2.gz WCEAIKKRPYMOLU-YKCSIGIESA-N 0 0 627.744 5.916 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(F)cc1 ZINC000097946111 553776666 /nfs/dbraw/zinc/77/66/66/553776666.db2.gz BTGYAYPVLAWCHE-KQWNVCNZSA-N 0 0 576.700 5.838 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946336 553778460 /nfs/dbraw/zinc/77/84/60/553778460.db2.gz GZLDQTJLWNTGNF-BGDIREAQSA-N 0 0 590.658 8.092 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)n1c(SCc2ccc(Cl)cc2)nc2ccccc21 ZINC000097946367 553778753 /nfs/dbraw/zinc/77/87/53/553778753.db2.gz WBJVBGXDCKNNAE-KQWNVCNZSA-N 0 0 550.130 6.914 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(OC)c3)SC2=S)cc1OC ZINC000097946354 553778785 /nfs/dbraw/zinc/77/87/85/553778785.db2.gz CCWKQBHLPKPPAB-USHMODERSA-N 0 0 591.751 6.673 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000097946519 553779983 /nfs/dbraw/zinc/77/99/83/553779983.db2.gz UTXRQGAVABTCIK-WFSKJOQISA-N 0 0 554.181 8.009 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)SC(=S)N1Cc1ccccc1 ZINC000097946709 553781330 /nfs/dbraw/zinc/78/13/30/553781330.db2.gz HDRPLTNHTHHGQQ-FSGOGVSDSA-N 0 0 577.706 7.659 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)o2)cc1 ZINC000097946757 553781633 /nfs/dbraw/zinc/78/16/33/553781633.db2.gz ABLNMYCFUQYFRF-XQNSMLJCSA-N 0 0 545.642 5.327 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000097946782 553781664 /nfs/dbraw/zinc/78/16/64/553781664.db2.gz NWSHZLXMHKAQAK-COEJQBHMSA-N 0 0 566.686 8.172 50 10 KKCARN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000097946944 553782358 /nfs/dbraw/zinc/78/23/58/553782358.db2.gz KEDORLWGVMRAHR-KGENOOAVSA-N 0 0 525.007 5.114 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000097946941 553782369 /nfs/dbraw/zinc/78/23/69/553782369.db2.gz SYZGSSNLGVCJGG-DIBXZPPDSA-N 0 0 593.734 6.142 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4cccc(Cl)c4c3Cl)c(OC)c2)SC1=S ZINC000097946938 553782392 /nfs/dbraw/zinc/78/23/92/553782392.db2.gz ZDEAWJQYIJNNSG-YBEGLDIGSA-N 0 0 524.472 6.657 50 10 KKCARN Cc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=C4\SC(=S)N(CCc5ccccc5)C4=O)cc3)sc2c1 ZINC000097946967 553782663 /nfs/dbraw/zinc/78/26/63/553782663.db2.gz FYUAOBCQMYLMJV-KQWNVCNZSA-N 0 0 550.126 7.526 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000097946962 553782670 /nfs/dbraw/zinc/78/26/70/553782670.db2.gz IFNKQOGYAPHXEY-ITMNURAISA-N 0 0 548.513 6.593 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)SC1=S ZINC000097946979 553782695 /nfs/dbraw/zinc/78/26/95/553782695.db2.gz DWOWEWOCXXTAMY-AABCQZNVSA-N 0 0 536.099 7.736 50 10 KKCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)C1=CC=CCC1 ZINC000097947042 553783087 /nfs/dbraw/zinc/78/30/87/553783087.db2.gz WXJRSHDVKBROKS-BDPRQDHOSA-N 0 0 593.985 6.598 50 10 KKCARN CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947033 553783106 /nfs/dbraw/zinc/78/31/06/553783106.db2.gz QSOLBYXHWBEURG-CBIIRDDDSA-N 0 0 603.977 5.749 50 10 KKCARN COc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947046 553783168 /nfs/dbraw/zinc/78/31/68/553783168.db2.gz ZNVVAHOEHHSINQ-JPFXZVHCSA-N 0 0 597.929 6.195 50 10 KKCARN Cc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947056 553783293 /nfs/dbraw/zinc/78/32/93/553783293.db2.gz NTLPKTPZVIHRLS-BQKWAYIGSA-N 0 0 591.969 6.902 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(Br)c1 ZINC000097947107 553783617 /nfs/dbraw/zinc/78/36/17/553783617.db2.gz BYLIRTSPIJZPHN-HZHRSRAPSA-N 0 0 637.606 6.461 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000097947137 553783874 /nfs/dbraw/zinc/78/38/74/553783874.db2.gz JNGZOSDSJZUZLK-JCMHNJIXSA-N 0 0 578.766 6.069 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)cc1 ZINC000097947138 553783959 /nfs/dbraw/zinc/78/39/59/553783959.db2.gz KBXHKEKPAKUJPA-VQNDASPWSA-N 0 0 582.773 8.858 50 10 KKCARN COc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000097947146 553784160 /nfs/dbraw/zinc/78/41/60/553784160.db2.gz PESOFHBYFWOPKR-LFVJCYFKSA-N 0 0 606.726 5.847 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000097947213 553784655 /nfs/dbraw/zinc/78/46/55/553784655.db2.gz FIQFWMKWOPBYEA-SIMLIIDHSA-N 0 0 656.638 6.813 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1C1CCCCC1 ZINC000097947220 553784694 /nfs/dbraw/zinc/78/46/94/553784694.db2.gz YKXQCDNKLUZMAV-NVMPUMLXSA-N 0 0 601.797 8.805 50 10 KKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)C[C@@H](C)O1 ZINC000097947253 553784982 /nfs/dbraw/zinc/78/49/82/553784982.db2.gz FJZQEYWULUYVLH-GSEOTXEXSA-N 0 0 550.684 6.198 50 10 KKCARN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000097948263 553792590 /nfs/dbraw/zinc/79/25/90/553792590.db2.gz HPTVRJADOYVXBC-MHZLTWQESA-N 0 0 560.433 6.704 50 10 KKCARN Cc1ccc(C2=NN(C(=O)c3cc4nc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@@H](c3ccccc3O)C2)cc1 ZINC000097948577 553794972 /nfs/dbraw/zinc/79/49/72/553794972.db2.gz DOVIITCKLXCCFS-OAQYLSRUSA-N 0 0 582.007 7.136 50 10 KKCARN COc1ccc(C2=NN(C(=O)c3cc4nc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@@H](c3ccccc3O)C2)c(OC)c1 ZINC000097949006 553798410 /nfs/dbraw/zinc/79/84/10/553798410.db2.gz SMCCRTDWCFKIQH-OAQYLSRUSA-N 0 0 628.032 6.844 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@@H]3C2)cc1 ZINC000025184792 553806052 /nfs/dbraw/zinc/80/60/52/553806052.db2.gz VVPFBYDGSKZHTF-XTEPFMGCSA-N 0 0 521.448 5.662 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1-c1ccc(Br)cc1 ZINC000025390227 553806953 /nfs/dbraw/zinc/80/69/53/553806953.db2.gz KQFAEYAHEJICIX-UHFFFAOYSA-N 0 0 523.402 6.443 50 10 KKCARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000025396413 553808141 /nfs/dbraw/zinc/80/81/41/553808141.db2.gz UIDAEZVHQACKLN-UHFFFAOYSA-N 0 0 505.929 5.248 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577227 553810890 /nfs/dbraw/zinc/81/08/90/553810890.db2.gz RSTZNEDDIWXIKK-BVAGGSTKSA-N 0 0 505.799 7.204 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576994 553810927 /nfs/dbraw/zinc/81/09/27/553810927.db2.gz UBLCMNDKWHWZGA-ZEQKJWHPSA-N 0 0 505.799 7.204 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000026503153 553818558 /nfs/dbraw/zinc/81/85/58/553818558.db2.gz POCIDJKSKJCAOO-PYCFMQQDSA-N 0 0 506.697 5.073 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000026532199 553819078 /nfs/dbraw/zinc/81/90/78/553819078.db2.gz KLTAKNVTWVWHGX-GNUDVLMQSA-N 0 0 516.667 5.798 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000026771433 553821008 /nfs/dbraw/zinc/82/10/08/553821008.db2.gz HWKJWGUNMHXFQY-DEDYPNTBSA-N 0 0 515.106 6.822 50 10 KKCARN CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 ZINC000027015568 553822861 /nfs/dbraw/zinc/82/28/61/553822861.db2.gz OKPAGJWDVDUDSV-GJGVXNHDSA-N 0 0 507.677 5.983 50 10 KKCARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000026967346 553822869 /nfs/dbraw/zinc/82/28/69/553822869.db2.gz OEQAXYFNTHDGRE-CNAUSSNJSA-N 0 0 508.448 6.178 50 10 KKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000027019578 553823766 /nfs/dbraw/zinc/82/37/66/553823766.db2.gz CBYZWCPTRIPGLU-RRAHZORUSA-N 0 0 522.649 6.603 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000027026458 553824864 /nfs/dbraw/zinc/82/48/64/553824864.db2.gz HXJDNMIIICMFTK-MKRQMZSSSA-N 0 0 523.727 7.934 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027521523 553827663 /nfs/dbraw/zinc/82/76/63/553827663.db2.gz JJWAXBBMWWJIEK-LGUFXXKBSA-N 0 0 502.571 5.249 50 10 KKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)cc3)C2=N)S1 ZINC000027533809 553832307 /nfs/dbraw/zinc/83/23/07/553832307.db2.gz TXUZQJMZGDQZGQ-NREDLREFSA-N 0 0 513.417 5.182 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OCC)c3)C2=N)S1 ZINC000027533931 553832314 /nfs/dbraw/zinc/83/23/14/553832314.db2.gz NSCBGFLMIMDSPG-UCXLZHGVSA-N 0 0 508.669 5.984 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000027533946 553832651 /nfs/dbraw/zinc/83/26/51/553832651.db2.gz FCIATGSWXCIFNW-ORQZCMOFSA-N 0 0 527.046 5.780 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)c(OCC)c3)C2=N)S1 ZINC000027549410 553833764 /nfs/dbraw/zinc/83/37/64/553833764.db2.gz KCGJIIRZBMWBJD-NZAISQPBSA-N 0 0 522.627 5.361 50 10 KKCARN COc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2)cc1 ZINC000027549715 553833831 /nfs/dbraw/zinc/83/38/31/553833831.db2.gz CQOLJLIXTUOYPN-LQDCEUOMSA-N 0 0 504.612 5.352 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000027549796 553834089 /nfs/dbraw/zinc/83/40/89/553834089.db2.gz IWHYODDWXBUNEN-DBTRMCSCSA-N 0 0 516.545 5.839 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000027549821 553834091 /nfs/dbraw/zinc/83/40/91/553834091.db2.gz VYCOWWDGEBWXFM-CSEHATQYSA-N 0 0 520.655 5.825 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000027549764 553834106 /nfs/dbraw/zinc/83/41/06/553834106.db2.gz NZWFJDNIBNHFED-BVXASCJTSA-N 0 0 513.019 5.472 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000027549801 553834108 /nfs/dbraw/zinc/83/41/08/553834108.db2.gz IWHYODDWXBUNEN-SEBGUNOGSA-N 0 0 516.545 5.839 50 10 KKCARN Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097957850 553848819 /nfs/dbraw/zinc/84/88/19/553848819.db2.gz IOSQINYWNVEKOC-IRCMEVCOSA-N 0 0 551.697 6.539 50 10 KKCARN N=C1/C(=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000097957838 553848862 /nfs/dbraw/zinc/84/88/62/553848862.db2.gz CWJCOHDLQOKPKC-RZFDYAKMSA-N 0 0 587.941 7.736 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1OC ZINC000097957950 553849762 /nfs/dbraw/zinc/84/97/62/553849762.db2.gz ZHNDOZHLAXWEQO-CPNJWEJPSA-N 0 0 522.051 6.545 50 10 KKCARN CCC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097957968 553850197 /nfs/dbraw/zinc/85/01/97/553850197.db2.gz IDAMUWNLIGCPOQ-XTCLZLMSSA-N 0 0 533.122 6.941 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000097958026 553850522 /nfs/dbraw/zinc/85/05/22/553850522.db2.gz UXHCNKGOWFNBDJ-PERRAXLGSA-N 0 0 557.470 5.562 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3ccc(C)cc3N(C(=O)/C=C/c3ccccc3)C(C)(C)C2=S)S1 ZINC000097958465 553854919 /nfs/dbraw/zinc/85/49/19/553854919.db2.gz CDSZGWIAROTBRH-JQIJEIRASA-N 0 0 579.765 6.690 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4cn(CCOc5ccc(C(C)(C)c6ccccc6)cc5)c5ccccc45)C3=N)S2)cc1 ZINC000097958536 553855569 /nfs/dbraw/zinc/85/55/69/553855569.db2.gz AFVLKNUJBGSZOK-RJCGAYKGSA-N 0 0 623.782 8.022 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097958693 553856872 /nfs/dbraw/zinc/85/68/72/553856872.db2.gz ZSTCHQAWNVKOLP-LEXTUMAWSA-N 0 0 590.443 5.095 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097958878 553858305 /nfs/dbraw/zinc/85/83/05/553858305.db2.gz SEEUCHXXCIYSSK-JCMHNJIXSA-N 0 0 590.542 6.330 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097958874 553858331 /nfs/dbraw/zinc/85/83/31/553858331.db2.gz QTJDRWUAHOZHFR-HAVVHWLPSA-N 0 0 534.143 7.105 50 10 KKCARN CCCCCCOc1ccc(OCCOc2c(Br)cc(/C=C3/SC(=S)N(CC)C3=O)cc2OCC)cc1 ZINC000097959019 553859724 /nfs/dbraw/zinc/85/97/24/553859724.db2.gz ZJMKADPTMVIOJK-NCELDCMTSA-N 0 0 608.620 7.486 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000097959048 553859978 /nfs/dbraw/zinc/85/99/78/553859978.db2.gz PLKLPJNYUHZILB-VFTOUZNJSA-N 0 0 562.651 6.516 50 10 KKCARN CCOc1cccc2c1N(C(=O)/C=C/c1ccc(OC)cc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000097959105 553860631 /nfs/dbraw/zinc/86/06/31/553860631.db2.gz WMZAPNFYSLVBKD-DTQAZKPQSA-N 0 0 611.763 6.009 50 10 KKCARN COc1cccc(OCCn2cccc2/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1 ZINC000031932592 553862043 /nfs/dbraw/zinc/86/20/43/553862043.db2.gz PCVYDGSTQYXFBL-KLUMOMIWSA-N 0 0 517.636 5.086 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000031932561 553862092 /nfs/dbraw/zinc/86/20/92/553862092.db2.gz NAGKMNVHFGYCAJ-QLSUFNALSA-N 0 0 509.012 6.091 50 10 KKCARN Cc1cc(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)ccc1Cl ZINC000097959257 553862286 /nfs/dbraw/zinc/86/22/86/553862286.db2.gz LFWNRRRUPFJSJJ-OTIAPJKISA-N 0 0 546.096 6.882 50 10 KKCARN CCCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(C(=O)OCC)cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C1=S ZINC000097960986 553874784 /nfs/dbraw/zinc/87/47/84/553874784.db2.gz MCDDFRUKIUIAQO-INKHBPHZSA-N 0 0 639.777 7.942 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000097962229 553883887 /nfs/dbraw/zinc/88/38/87/553883887.db2.gz ZGTMZBGEVQVKJL-SSDVNMTOSA-N 0 0 568.906 8.169 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000097962225 553883905 /nfs/dbraw/zinc/88/39/05/553883905.db2.gz LTXJAJRLQMYZKW-UFFVCSGVSA-N 0 0 582.875 7.374 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040569 553893763 /nfs/dbraw/zinc/89/37/63/553893763.db2.gz KMGUOMNQPGKAOC-NDEPHWFRSA-N 0 0 512.679 6.629 50 10 KKCARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040619 553893923 /nfs/dbraw/zinc/89/39/23/553893923.db2.gz YKFMWCMHCFOSSZ-GDLZYMKVSA-N 0 0 510.707 6.607 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CCCC4)cc1 ZINC000033040631 553893957 /nfs/dbraw/zinc/89/39/57/553893957.db2.gz ORSRSTNLISFNFN-MUUNZHRXSA-N 0 0 514.670 6.438 50 10 KKCARN CCc1ccc(NC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000033051193 553895750 /nfs/dbraw/zinc/89/57/50/553895750.db2.gz FSMDVCDWQWWXOJ-WJOKGBTCSA-N 0 0 530.676 6.737 50 10 KKCARN O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2c(Cl)cccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000097964063 553896244 /nfs/dbraw/zinc/89/62/44/553896244.db2.gz IXUBMJAACYDBOT-UFFVCSGVSA-N 0 0 555.335 8.281 50 10 KKCARN COc1ccccc1OCCOc1ccccc1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O ZINC000097964079 553896313 /nfs/dbraw/zinc/89/63/13/553896313.db2.gz LPQWZRIUIVJRIC-GXKMPGRFSA-N 0 0 544.658 5.663 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4Cl)c4ccccc34)C2=N)S1 ZINC000097964925 553901908 /nfs/dbraw/zinc/90/19/08/553901908.db2.gz IHHGPHHOMKQAGN-GUYQLPPQSA-N 0 0 570.074 6.380 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964930 553901965 /nfs/dbraw/zinc/90/19/65/553901965.db2.gz NKONGSSFUWFFGV-BUSCPJTRSA-N 0 0 563.683 6.425 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc(-c4ccccc4)nc4ccccc42)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965104 553902778 /nfs/dbraw/zinc/90/27/78/553902778.db2.gz ZTWWPEIOZQTTCH-UEPNBXIUSA-N 0 0 605.786 8.471 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000097966433 553908662 /nfs/dbraw/zinc/90/86/62/553908662.db2.gz TZXPGJFCACNUED-DQIQZUARSA-N 0 0 748.805 5.137 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccccc1Cl ZINC000097966491 553909265 /nfs/dbraw/zinc/90/92/65/553909265.db2.gz STLTVBCQJZWJKU-DEDYPNTBSA-N 0 0 572.060 6.511 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)cc1Cl ZINC000097966702 553909650 /nfs/dbraw/zinc/90/96/50/553909650.db2.gz IOHRAESZDUJPEI-KOEQRZSOSA-N 0 0 554.093 5.209 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OS(=O)(=O)c4ccccc4)S3)CC2)cc1Cl ZINC000097966731 553909890 /nfs/dbraw/zinc/90/98/90/553909890.db2.gz OFHYQXGOVAFHQH-KOEQRZSOSA-N 0 0 554.093 5.209 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCCc1ccccc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266855 553917518 /nfs/dbraw/zinc/91/75/18/553917518.db2.gz RTHURSFYGPPIKQ-WJOKGBTCSA-N 0 0 530.676 5.895 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1F)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266841 553917541 /nfs/dbraw/zinc/91/75/41/553917541.db2.gz IVLIRFJBOHQYTN-GDLZYMKVSA-N 0 0 520.612 6.314 50 10 KKCARN CCCC(=O)N1c2cc(C)ccc2/C(=C2\SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000033344654 553921770 /nfs/dbraw/zinc/92/17/70/553921770.db2.gz WTJVJEXWLCZGQR-HPNDGRJYSA-N 0 0 523.745 7.371 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000033345277 553921906 /nfs/dbraw/zinc/92/19/06/553921906.db2.gz RUHYBONWLMMOCH-LGUFXXKBSA-N 0 0 511.672 6.382 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)C3=C2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000033354031 553928093 /nfs/dbraw/zinc/92/80/93/553928093.db2.gz BXJFFIDPKXVBOZ-QFFYTCKUSA-N 0 0 563.451 6.930 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(I)cc2C)cc1 ZINC000033354821 553931571 /nfs/dbraw/zinc/93/15/71/553931571.db2.gz UAMNXHXNLLHQKE-ULJHMMPZSA-N 0 0 615.309 7.376 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000033355291 553933930 /nfs/dbraw/zinc/93/39/30/553933930.db2.gz OOMTXFXAWMMHDJ-AJUVRHARSA-N 0 0 547.036 5.668 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000097968836 553934602 /nfs/dbraw/zinc/93/46/02/553934602.db2.gz QOPPZJZQYZYKLG-KRUMMXJUSA-N 0 0 575.752 8.024 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000033355438 553934757 /nfs/dbraw/zinc/93/47/57/553934757.db2.gz HLPDMZYNSLRRCJ-NQDAVXOOSA-N 0 0 610.511 5.838 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000033355550 553935497 /nfs/dbraw/zinc/93/54/97/553935497.db2.gz OVRVFALYPZEOSG-LSHDLFTRSA-N 0 0 614.892 8.115 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000033355598 553935734 /nfs/dbraw/zinc/93/57/34/553935734.db2.gz DZHLMHGLXLWFRI-XIEYBQDHSA-N 0 0 556.713 5.456 50 10 KKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000033355688 553936170 /nfs/dbraw/zinc/93/61/70/553936170.db2.gz ORRRRIYYQZLITG-UHFFFAOYSA-N 0 0 536.607 6.194 50 10 KKCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000033356366 553940950 /nfs/dbraw/zinc/94/09/50/553940950.db2.gz OGKSHXQPLFKMHI-BWBREFNUSA-N 0 0 532.778 5.019 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3S4(=O)=O)CC2)cc1 ZINC000033356439 553941440 /nfs/dbraw/zinc/94/14/40/553941440.db2.gz KRXJFEJNEUUOCR-UHFFFAOYSA-N 0 0 602.112 5.304 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000033358649 553957321 /nfs/dbraw/zinc/95/73/21/553957321.db2.gz UFISGXQKDFLJHI-RRAHZORUSA-N 0 0 580.171 8.260 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000033358645 553957358 /nfs/dbraw/zinc/95/73/58/553957358.db2.gz GBENKYXSQAJYKN-DIBXZPPDSA-N 0 0 529.708 7.425 50 10 KKCARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C/c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000097970858 553958841 /nfs/dbraw/zinc/95/88/41/553958841.db2.gz GXOAWPXEZVILEW-RFTCMRPOSA-N 0 0 576.766 5.623 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(Cl)c(C)c4)c4ccccc34)C2=N)S1 ZINC000033429580 553959718 /nfs/dbraw/zinc/95/97/18/553959718.db2.gz BLYINTGILCEGAE-PPIATVRMSA-N 0 0 506.031 6.101 50 10 KKCARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1/C=C1/C(C)=NN(c2ccccc2)C1=O ZINC000033601565 553964146 /nfs/dbraw/zinc/96/41/46/553964146.db2.gz DKGXLOQHRZXIRZ-OQKWZONESA-N 0 0 507.644 6.748 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033634330 553965475 /nfs/dbraw/zinc/96/54/75/553965475.db2.gz XKISLGIZBXJDDO-QJMRKGMQSA-N 0 0 519.881 7.583 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000033660678 553966735 /nfs/dbraw/zinc/96/67/35/553966735.db2.gz OMEQYPNECLHHHM-MSPRMREJSA-N 0 0 519.736 7.356 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3c(C)n(CCOc4cccc(OC)c4)c4ccccc34)C2=N)S1 ZINC000033710294 553969401 /nfs/dbraw/zinc/96/94/01/553969401.db2.gz DCYSNCZXCSIYCB-KOKPDDJTSA-N 0 0 501.612 5.457 50 10 KKCARN Cc1ccc(SCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)cc2)cc1 ZINC000033732194 553970794 /nfs/dbraw/zinc/97/07/94/553970794.db2.gz BCQZVMLLXGLKOH-MBTLPQJVSA-N 0 0 512.660 6.142 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000033769592 553972912 /nfs/dbraw/zinc/97/29/12/553972912.db2.gz ZKWHDKDPJUPSIU-FCEKVYKBSA-N 0 0 521.613 5.752 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)SC2=S)cc1 ZINC000033861324 553975218 /nfs/dbraw/zinc/97/52/18/553975218.db2.gz VBSPSCOSDJKSFF-IWIPYMOSSA-N 0 0 504.633 5.735 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000033861567 553975393 /nfs/dbraw/zinc/97/53/93/553975393.db2.gz MSIYWNHCSLEQMR-GXDFBKAQSA-N 0 0 510.128 7.610 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000033939163 553979730 /nfs/dbraw/zinc/97/97/30/553979730.db2.gz YMMDIPPCYUNDRK-SVVBGHPLSA-N 0 0 505.709 6.966 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000033939162 553979785 /nfs/dbraw/zinc/97/97/85/553979785.db2.gz YMMDIPPCYUNDRK-GGVNPZCGSA-N 0 0 505.709 6.966 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000034378734 553981523 /nfs/dbraw/zinc/98/15/23/553981523.db2.gz KVYCUTGBNCTDJB-JCYYIGJDSA-N 0 0 523.604 6.273 50 10 KKCARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)Nc3cnc4ccccc4c3)N(c3ccccc3)C2=O)cc1 ZINC000034700878 553992850 /nfs/dbraw/zinc/99/28/50/553992850.db2.gz XINCKTQJRNYMRW-QQXSKIMKSA-N 0 0 507.619 5.416 50 10 KKCARN COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3F)CC2)cc1 ZINC000097986388 554023758 /nfs/dbraw/zinc/02/37/58/554023758.db2.gz FHISUQMWFASWQR-UHFFFAOYSA-N 0 0 561.635 5.390 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)COc3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097999492 554043516 /nfs/dbraw/zinc/04/35/16/554043516.db2.gz RXNQKRAWOXYVFR-UHFFFAOYSA-N 0 0 591.732 6.120 50 10 KKCARN COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000098002618 554053703 /nfs/dbraw/zinc/05/37/03/554053703.db2.gz NDTITESKMSJUJM-UHFFFAOYSA-N 0 0 555.055 6.676 50 10 KKCARN COc1ccc(N2CCN(CN3C(=S)N4[C@H](c5ccccc5)N(CN5CCN(c6ccc(OC)cc6)CC5)C(=S)N4[C@@H]3c3ccccc3)CC2)cc1 ZINC000098008449 554067901 /nfs/dbraw/zinc/06/79/01/554067901.db2.gz ATCCOXHBYHXTJE-XPSQVAKYSA-N 0 0 734.996 5.681 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)nn3-c3ccc(Cl)cc3)CC2)cc1 ZINC000035727320 554068813 /nfs/dbraw/zinc/06/88/13/554068813.db2.gz INOGCTNSDONATK-UHFFFAOYSA-N 0 0 517.973 5.072 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000098010791 554074727 /nfs/dbraw/zinc/07/47/27/554074727.db2.gz DZEGUOPCDROMRB-UHFFFAOYSA-N 0 0 569.724 6.008 50 10 KKCARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C)n2-c2ccccc2F)c1 ZINC000035829149 554079297 /nfs/dbraw/zinc/07/92/97/554079297.db2.gz QNZYDSZIGADMNG-UHFFFAOYSA-N 0 0 514.557 5.471 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000035830060 554079856 /nfs/dbraw/zinc/07/98/56/554079856.db2.gz VIWWJJDEFLWBQG-DYIKCSJPSA-N 0 0 511.577 6.012 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCc5ccco5)c4)nc(C)c3C)CC2)cc1 ZINC000098015311 554097771 /nfs/dbraw/zinc/09/77/71/554097771.db2.gz SQMXOYKOYITOSI-UHFFFAOYSA-N 0 0 543.693 5.244 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(N4CCN(c5ccc(OC)cc5)CC4)cc(C(C)(C)C)n3)c2)C1 ZINC000098015409 554099191 /nfs/dbraw/zinc/09/91/91/554099191.db2.gz OGLHOWKTLBZJJR-HHHXNRCGSA-N 0 0 631.843 5.817 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)n2-c2ccccc2F)cc1 ZINC000098020018 554116181 /nfs/dbraw/zinc/11/61/81/554116181.db2.gz OFLXKOBXEGPGOQ-UHFFFAOYSA-N 0 0 559.685 7.148 50 10 KKCARN CCCCCCc1ccc(C(=O)Nc2ccc(O)c3c2C(=O)c2c(NC(=O)c4ccc(CCCCCC)cc4)ccc(O)c2C3=O)cc1 ZINC000098048375 554161525 /nfs/dbraw/zinc/16/15/25/554161525.db2.gz DWXVXBJEJRIVNP-UHFFFAOYSA-N 0 0 646.784 8.623 50 10 KKCARN Cc1c(/C=C/c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc2n1C ZINC000100023086 554182805 /nfs/dbraw/zinc/18/28/05/554182805.db2.gz QXFDQCYSEHLKLI-FYWRMAATSA-N 0 0 531.397 6.020 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000100041033 554192168 /nfs/dbraw/zinc/19/21/68/554192168.db2.gz UCZQPPYTYICFHG-WFOJNGAISA-N 0 0 545.430 6.430 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000100040852 554192277 /nfs/dbraw/zinc/19/22/77/554192277.db2.gz DUJNKKCBSYNHCW-QXLZFTBOSA-N 0 0 621.528 8.097 50 10 KKCARN COc1ccc(C(=O)Nc2ccccc2)cc1NN=C1c2ccccc2C=C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000100045225 554193258 /nfs/dbraw/zinc/19/32/58/554193258.db2.gz LOGJDHWBDGLMNO-HEFFKOSUSA-N 0 0 572.581 6.644 50 10 KKCARN O=C1NC(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000100055383 554196217 /nfs/dbraw/zinc/19/62/17/554196217.db2.gz HEZULKXHAHZRSM-KQWNVCNZSA-N 0 0 517.473 7.063 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100065798 554199802 /nfs/dbraw/zinc/19/98/02/554199802.db2.gz RKVDHMRXIJAROZ-LXYLXTGBSA-N 0 0 596.536 5.521 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000100077866 554205175 /nfs/dbraw/zinc/20/51/75/554205175.db2.gz QAAVTEKVRMOABW-YDZHTSKRSA-N 0 0 521.835 7.365 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100087269 554209520 /nfs/dbraw/zinc/20/95/20/554209520.db2.gz BLKZTYVJBLYCCW-ZFWDJNJRSA-N 0 0 600.955 6.166 50 10 KKCARN CC(NCCCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000100095520 554216243 /nfs/dbraw/zinc/21/62/43/554216243.db2.gz VHMVYKLVMPWFPD-ZDSKVHJSSA-N 0 0 611.570 7.063 50 10 KKCARN CC1(C)OC(=O)C(=CC(=CNc2ccc(Br)cc2)[C@@H](Nc2ccc(Br)cc2)c2ccco2)C(=O)O1 ZINC000100098993 554219643 /nfs/dbraw/zinc/21/96/43/554219643.db2.gz DXJVUZJNCQNAPM-POICXBNUSA-N 0 0 602.279 6.716 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]23)cc1 ZINC000100127668 554224946 /nfs/dbraw/zinc/22/49/46/554224946.db2.gz BAXZIKYVNBJHQJ-PKTNWEFCSA-N 0 0 515.565 5.658 50 10 KKCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 ZINC000036585389 554225616 /nfs/dbraw/zinc/22/56/16/554225616.db2.gz CRYFOOQLMPYUCY-ITYLOYPMSA-N 0 0 514.607 5.275 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)C ZINC000037423671 554243739 /nfs/dbraw/zinc/24/37/39/554243739.db2.gz APDIDEGPNCAQTL-OAQYLSRUSA-N 0 0 504.693 5.482 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CC(C)C ZINC000037424034 554243972 /nfs/dbraw/zinc/24/39/72/554243972.db2.gz PMXOAULWEMSQME-NRFANRHFSA-N 0 0 531.719 5.432 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100190085 554244372 /nfs/dbraw/zinc/24/43/72/554244372.db2.gz LINFJLNNRNZQMD-NULZLWRNSA-N 0 0 557.691 5.468 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000100192112 554244767 /nfs/dbraw/zinc/24/47/67/554244767.db2.gz HNSOVZURKIEZHA-RCCKNPSSSA-N 0 0 527.374 7.397 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000100226794 554253455 /nfs/dbraw/zinc/25/34/55/554253455.db2.gz MNKGMILEICCLBO-FSJBWODESA-N 0 0 545.013 6.771 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](NC(=O)CC)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000100241648 554260781 /nfs/dbraw/zinc/26/07/81/554260781.db2.gz SNIQGGJEYLXXHS-DOIQENQNSA-N 0 0 559.924 6.092 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Br)cc2)N1 ZINC000038141698 554264859 /nfs/dbraw/zinc/26/48/59/554264859.db2.gz KGFYWZORBYMPPZ-CVDCTZTESA-N 0 0 530.216 5.868 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260433 554265528 /nfs/dbraw/zinc/26/55/28/554265528.db2.gz PAGOFSWDFWUUAT-JJFYIABZSA-N 0 0 538.880 7.766 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000100267515 554267657 /nfs/dbraw/zinc/26/76/57/554267657.db2.gz ZZTMNDYTNATDIG-JJXZISMASA-N 0 0 539.657 6.546 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000100267482 554267698 /nfs/dbraw/zinc/26/76/98/554267698.db2.gz QPMDSZNWELKVKG-FIQBSCIMSA-N 0 0 541.629 5.856 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)c1 ZINC000100268421 554268172 /nfs/dbraw/zinc/26/81/72/554268172.db2.gz HTXHVFNQZRIEIE-PNKKYEAWSA-N 0 0 532.544 5.205 50 10 KKCARN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)c1 ZINC000100272952 554270655 /nfs/dbraw/zinc/27/06/55/554270655.db2.gz CFWANCVUBOBBOA-REPNPYAISA-N 0 0 546.696 7.456 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000100299865 554290376 /nfs/dbraw/zinc/29/03/76/554290376.db2.gz ZLXDASMNJCDVIC-KOEQRZSOSA-N 0 0 571.680 5.426 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100300061 554290533 /nfs/dbraw/zinc/29/05/33/554290533.db2.gz GJYSUVXJDRJTBZ-JLPGSUDCSA-N 0 0 602.650 5.026 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000100299999 554290557 /nfs/dbraw/zinc/29/05/57/554290557.db2.gz KAUYZKDCKQJLCS-KOEQRZSOSA-N 0 0 571.680 5.426 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100300059 554290617 /nfs/dbraw/zinc/29/06/17/554290617.db2.gz GJYSUVXJDRJTBZ-LFVJCYFKSA-N 0 0 602.650 5.026 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000100300126 554290633 /nfs/dbraw/zinc/29/06/33/554290633.db2.gz ZOFPGKWOBNFZLT-LFVJCYFKSA-N 0 0 592.098 5.771 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccccc1 ZINC000100300280 554290904 /nfs/dbraw/zinc/29/09/04/554290904.db2.gz YDUHTLYQJGYBQJ-JJIBRWJFSA-N 0 0 557.653 5.118 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100317491 554303349 /nfs/dbraw/zinc/30/33/49/554303349.db2.gz DGQCWMOHAGEOEB-LPYMAVHISA-N 0 0 566.573 5.240 50 10 KKCARN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000100324491 554308627 /nfs/dbraw/zinc/30/86/27/554308627.db2.gz CJJFLMBGRGAGTA-YBFXNURJSA-N 0 0 583.469 5.264 50 10 KKCARN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000100325406 554309495 /nfs/dbraw/zinc/30/94/95/554309495.db2.gz KOXDUWRFFGVGPV-YBFXNURJSA-N 0 0 536.469 5.422 50 10 KKCARN CCN(CC)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)OC)cc1 ZINC000049597334 554323603 /nfs/dbraw/zinc/32/36/03/554323603.db2.gz JEWBHOYZNPPTKZ-KAYWLYCHSA-N 0 0 508.460 5.984 50 10 KKCARN Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000100340082 554324608 /nfs/dbraw/zinc/32/46/08/554324608.db2.gz UAVDQULAPWYEAX-LPYMAVHISA-N 0 0 541.448 6.651 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1C ZINC000100342571 554327538 /nfs/dbraw/zinc/32/75/38/554327538.db2.gz FHQOXKTULVNNDR-YDZHTSKRSA-N 0 0 555.475 6.959 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000050860299 554327574 /nfs/dbraw/zinc/32/75/74/554327574.db2.gz HLPRQLFHRRXEIB-PXLXIMEGSA-N 0 0 535.741 6.630 50 10 KKCARN Cc1cc(C(=O)[C@@H](C)OC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000050862509 554328623 /nfs/dbraw/zinc/32/86/23/554328623.db2.gz LZHBDHHVDPSWPP-MRXNPFEDSA-N 0 0 535.469 5.879 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363112 554345773 /nfs/dbraw/zinc/34/57/73/554345773.db2.gz CWQWMEPNDBDINV-ISKFKSNPSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363876 554346168 /nfs/dbraw/zinc/34/61/68/554346168.db2.gz XZGKMKKOHIAXJV-IFMALSPDSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363983 554346483 /nfs/dbraw/zinc/34/64/83/554346483.db2.gz MWKAKCXMWGSUEV-ATIYNZHBSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364096 554346490 /nfs/dbraw/zinc/34/64/90/554346490.db2.gz SAHGCGVIBHSMCZ-QPPBQGQZSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364106 554346620 /nfs/dbraw/zinc/34/66/20/554346620.db2.gz OAHHSKRIWHSQHN-BWKNWUBXSA-N 0 0 560.286 6.547 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364299 554346937 /nfs/dbraw/zinc/34/69/37/554346937.db2.gz PHKPRMVOAOGSBX-CYFREDJKSA-N 0 0 560.242 5.877 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364319 554346966 /nfs/dbraw/zinc/34/69/66/554346966.db2.gz ASERXXSQARFFFL-DHLKQENFSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364373 554346982 /nfs/dbraw/zinc/34/69/82/554346982.db2.gz QDXLKNSAXGIUBW-UPVQGACJSA-N 0 0 548.250 6.678 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364294 554347043 /nfs/dbraw/zinc/34/70/43/554347043.db2.gz PHKPRMVOAOGSBX-DVECYGJZSA-N 0 0 560.242 5.877 50 10 KKCARN COc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364779 554347279 /nfs/dbraw/zinc/34/72/79/554347279.db2.gz KBKYQNCKFHWGJE-XUZZJYLKSA-N 0 0 530.260 6.457 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364771 554347369 /nfs/dbraw/zinc/34/73/69/554347369.db2.gz YEXOXMYBKKNEMF-DHLKQENFSA-N 0 0 544.287 6.711 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc(Br)c2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000100413968 554377270 /nfs/dbraw/zinc/37/72/70/554377270.db2.gz AFHFBCHKRTTWOD-FDFHNCONSA-N 0 0 550.792 5.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100413981 554377325 /nfs/dbraw/zinc/37/73/25/554377325.db2.gz DWBDWVBAHRGQST-NJYVYQBISA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100414230 554378341 /nfs/dbraw/zinc/37/83/41/554378341.db2.gz UFARQHNQMCGYAC-FSSWDIPSSA-N 0 0 540.786 5.338 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000100415056 554380536 /nfs/dbraw/zinc/38/05/36/554380536.db2.gz WNLOAQILYOVIBN-HBMCJLEFSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100415320 554381077 /nfs/dbraw/zinc/38/10/77/554381077.db2.gz YPIINWIWFSQQES-HBMCJLEFSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415458 554381529 /nfs/dbraw/zinc/38/15/29/554381529.db2.gz PAEZAUXQWQKQKJ-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1I ZINC000100418820 554385426 /nfs/dbraw/zinc/38/54/26/554385426.db2.gz DMNFTQLQUMLIBW-XSFVSMFZSA-N 0 0 543.407 5.916 50 10 KKCARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000100425356 554386437 /nfs/dbraw/zinc/38/64/37/554386437.db2.gz BTCAUABYJCBUGL-INJOXJOKSA-N 0 0 548.086 8.270 50 10 KKCARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100425726 554387041 /nfs/dbraw/zinc/38/70/41/554387041.db2.gz GSXSTSJAJNIDQO-HPMVVLTCSA-N 0 0 507.678 7.883 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@H]23)cc1 ZINC000100516932 554409058 /nfs/dbraw/zinc/40/90/58/554409058.db2.gz ZJXSZRZUIHMEJF-KCHLEUMXSA-N 0 0 513.549 5.357 50 10 KKCARN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl ZINC000100524505 554409661 /nfs/dbraw/zinc/40/96/61/554409661.db2.gz WFZVTNRLFBUDQW-FSSWDIPSSA-N 0 0 550.792 5.106 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059608912 554411906 /nfs/dbraw/zinc/41/19/06/554411906.db2.gz DRXVZWKGIDQDTN-UUYOSTAYSA-N 0 0 523.548 5.705 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000100544990 554413795 /nfs/dbraw/zinc/41/37/95/554413795.db2.gz BCUYLTDHSHEWKG-CPNJWEJPSA-N 0 0 525.240 7.000 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1Br ZINC000100545001 554413808 /nfs/dbraw/zinc/41/38/08/554413808.db2.gz JECJMOMYOKLKAP-CPNJWEJPSA-N 0 0 525.240 7.000 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000100553099 554415390 /nfs/dbraw/zinc/41/53/90/554415390.db2.gz VDEPOTTVTHEUEV-HBMCJLEFSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100557331 554416723 /nfs/dbraw/zinc/41/67/23/554416723.db2.gz CJXWLAVKYFLJBA-KWXIBIRDSA-N 0 0 578.418 5.811 50 10 KKCARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574922 554422757 /nfs/dbraw/zinc/42/27/57/554422757.db2.gz FCHGSGIRSJAGBI-XZOQPEGZSA-N 0 0 563.268 6.427 50 10 KKCARN CCOc1cccc2c1N(C(=O)c1ccc(OC)cc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000059819285 554431029 /nfs/dbraw/zinc/43/10/29/554431029.db2.gz JGGDVCVSZSJBLA-UHFFFAOYSA-N 0 0 585.725 5.609 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000100642163 554436324 /nfs/dbraw/zinc/43/63/24/554436324.db2.gz JTJIMSIVNAWVLW-MBYGRGGXSA-N 0 0 543.443 5.335 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1C(F)(F)F)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100647684 554436573 /nfs/dbraw/zinc/43/65/73/554436573.db2.gz ZWLPHQWKKCSQQB-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4cccc5ccccc54)c(OC)c3)C2=N)S1 ZINC000100656656 554437898 /nfs/dbraw/zinc/43/78/98/554437898.db2.gz PYOONGRTXMNJTE-CLBQFBSBSA-N 0 0 530.675 6.439 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C(C)C)c(OCC)c3)C2=N)S1 ZINC000100656667 554437931 /nfs/dbraw/zinc/43/79/31/554437931.db2.gz RCMYLVQOYIRNBR-RWJDTLOSSA-N 0 0 534.682 6.394 50 10 KKCARN COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000100672949 554442042 /nfs/dbraw/zinc/44/20/42/554442042.db2.gz IUXXJHFTPONCLK-UWTHTANNSA-N 0 0 551.628 5.427 50 10 KKCARN CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)c4ccc(OCCCCC)cc4)cc2C3=O)cc1 ZINC000100690255 554449930 /nfs/dbraw/zinc/44/99/30/554449930.db2.gz MXBRJOJTHKUFGF-UHFFFAOYSA-N 0 0 618.730 8.105 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000100710459 554453256 /nfs/dbraw/zinc/45/32/56/554453256.db2.gz GIODUCGURGGIDC-WPPSSQEFSA-N 0 0 526.618 5.519 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2OC)cc1 ZINC000100711622 554453877 /nfs/dbraw/zinc/45/38/77/554453877.db2.gz UFAUTABKMYXXPE-APUKAWEPSA-N 0 0 534.638 5.361 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC ZINC000100711693 554454154 /nfs/dbraw/zinc/45/41/54/554454154.db2.gz WSMGWJYTXZWQBO-ZPIMSUAVSA-N 0 0 546.571 5.848 50 10 KKCARN Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000100720411 554455114 /nfs/dbraw/zinc/45/51/14/554455114.db2.gz TUDPIVGPTMRYTC-LCYFTJDESA-N 0 0 514.015 5.693 50 10 KKCARN O=C(COc1cc(OCC(=O)OCc2ccccc2)c2c(c1)oc(=O)cc2-c1ccccc1)OCc1ccccc1 ZINC000100721188 554455467 /nfs/dbraw/zinc/45/54/67/554455467.db2.gz RATLOBQLFUBNIG-UHFFFAOYSA-N 0 0 550.563 5.704 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000100729446 554459057 /nfs/dbraw/zinc/45/90/57/554459057.db2.gz PCRRZNVONYDBPU-FCNYMASZSA-N 0 0 576.472 6.220 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 ZINC000100729546 554459389 /nfs/dbraw/zinc/45/93/89/554459389.db2.gz KRWMQSVPRDSDAW-CSEHATQYSA-N 0 0 561.641 5.166 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100745760 554464216 /nfs/dbraw/zinc/46/42/16/554464216.db2.gz XQDAVSUMGREAQW-VUTHCHCSSA-N 0 0 580.171 8.260 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100757291 554467072 /nfs/dbraw/zinc/46/70/72/554467072.db2.gz DXGZCLYDTQLWIA-GYJWHBQZSA-N 0 0 546.571 5.632 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000100762260 554468123 /nfs/dbraw/zinc/46/81/23/554468123.db2.gz JLEIWDBWLFUNSI-MOHJPFBDSA-N 0 0 580.179 5.517 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000100772057 554471260 /nfs/dbraw/zinc/47/12/60/554471260.db2.gz BIZGAFLYOUFPDA-VHXPQNKSSA-N 0 0 534.062 5.139 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC(C)C ZINC000100782010 554472497 /nfs/dbraw/zinc/47/24/97/554472497.db2.gz CBHKSQZMUBUFSJ-DFKUXCBWSA-N 0 0 538.651 7.469 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000100785551 554472549 /nfs/dbraw/zinc/47/25/49/554472549.db2.gz NFIMSMVUOKZXCG-TZFALNRWSA-N 0 0 542.126 6.113 50 10 KKCARN CCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100790326 554473052 /nfs/dbraw/zinc/47/30/52/554473052.db2.gz SILCTSHPSFAETM-CLCOLTQESA-N 0 0 532.735 5.463 50 10 KKCARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000100833350 554482880 /nfs/dbraw/zinc/48/28/80/554482880.db2.gz CUXQMUXMNKAQPA-LCYJPPDJSA-N 0 0 536.872 6.523 50 10 KKCARN O=C(N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000100832906 554482897 /nfs/dbraw/zinc/48/28/97/554482897.db2.gz BJQZXUJQKBDZNV-BKWYIPCTSA-N 0 0 551.843 6.423 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)SC1=S ZINC000100834254 554483179 /nfs/dbraw/zinc/48/31/79/554483179.db2.gz NXBYVGDWORNZAI-OVZSPSEASA-N 0 0 564.733 7.264 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC1=S ZINC000100833685 554483181 /nfs/dbraw/zinc/48/31/81/554483181.db2.gz HKZIGDKYSRWTOY-UQQQWYQISA-N 0 0 566.774 5.571 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000100836768 554483718 /nfs/dbraw/zinc/48/37/18/554483718.db2.gz HGANYENSIOYHGZ-DQRAZIAOSA-N 0 0 547.624 5.842 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000100836967 554484019 /nfs/dbraw/zinc/48/40/19/554484019.db2.gz DGFMAPLWFDHFHQ-TZFALNRWSA-N 0 0 575.678 6.479 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837881 554484558 /nfs/dbraw/zinc/48/45/58/554484558.db2.gz OKTBXWAOSCZRFH-YUMHPJSZSA-N 0 0 560.144 7.629 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000100838540 554486180 /nfs/dbraw/zinc/48/61/80/554486180.db2.gz RXJSJHGQQMIZHE-YMCFUUGVSA-N 0 0 605.738 5.646 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000100838951 554486746 /nfs/dbraw/zinc/48/67/46/554486746.db2.gz OWURQASKUXGBST-ZNBSHBAVSA-N 0 0 553.709 6.499 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000100840171 554488134 /nfs/dbraw/zinc/48/81/34/554488134.db2.gz HTLOIWQOHGDZOH-USHMODERSA-N 0 0 539.726 7.428 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100863366 554496191 /nfs/dbraw/zinc/49/61/91/554496191.db2.gz YNNGWNANQAMWMM-JJWXFRNXSA-N 0 0 532.735 5.462 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000100870814 554498388 /nfs/dbraw/zinc/49/83/88/554498388.db2.gz PTWFPNRIQLZNQI-USHMODERSA-N 0 0 539.726 7.428 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871268 554498742 /nfs/dbraw/zinc/49/87/42/554498742.db2.gz CUKUCBDIEGOOCL-RTMGKINMSA-N 0 0 556.669 6.809 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000100871343 554498980 /nfs/dbraw/zinc/49/89/80/554498980.db2.gz IYTJDQNNBKQAMM-CPYLFOLBSA-N 0 0 551.753 7.885 50 10 KKCARN CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)cc1 ZINC000100871317 554499031 /nfs/dbraw/zinc/49/90/31/554499031.db2.gz DBKHUCPKVUKSIB-IZHYLOQSSA-N 0 0 564.088 5.496 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000100871363 554499051 /nfs/dbraw/zinc/49/90/51/554499051.db2.gz RBHWUIMNBAIBPL-RMTSEHLMSA-N 0 0 539.726 7.681 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)SC1=S ZINC000100872210 554500779 /nfs/dbraw/zinc/50/07/79/554500779.db2.gz KSDUIMAJNSFLKM-FDHBPBSMSA-N 0 0 535.735 6.077 50 10 KKCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)C[C@H](C)O1 ZINC000100883654 554508075 /nfs/dbraw/zinc/50/80/75/554508075.db2.gz OEBYHHNKTAJGPU-GORZKMDOSA-N 0 0 585.129 6.851 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 ZINC000100893039 554512561 /nfs/dbraw/zinc/51/25/61/554512561.db2.gz HLJGKYUOZTXIFW-MRCUWXFGSA-N 0 0 533.488 6.287 50 10 KKCARN CCCCCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)C1=O ZINC000100893182 554512892 /nfs/dbraw/zinc/51/28/92/554512892.db2.gz MZURVLNSBHLEKF-DQRAZIAOSA-N 0 0 545.524 6.156 50 10 KKCARN O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1Cc1ccccc1 ZINC000100893187 554512901 /nfs/dbraw/zinc/51/29/01/554512901.db2.gz YDPXZWKKVANCMV-DQRAZIAOSA-N 0 0 521.461 5.768 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100907582 554516150 /nfs/dbraw/zinc/51/61/50/554516150.db2.gz NGQMGENRJQXHJU-PCLIKHOPSA-N 0 0 535.025 5.620 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000100911481 554517530 /nfs/dbraw/zinc/51/75/30/554517530.db2.gz GOLQSQHXRIFUMP-OIFRRMEBSA-N 0 0 546.022 6.665 50 10 KKCARN CCCCCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000100914018 554519316 /nfs/dbraw/zinc/51/93/16/554519316.db2.gz KIFBDTPQHGUVBQ-MOHJPFBDSA-N 0 0 537.707 5.858 50 10 KKCARN CCOc1ccc2c(c1)S[C@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1cccc(C(F)(F)F)c1 ZINC000100916930 554519874 /nfs/dbraw/zinc/51/98/74/554519874.db2.gz WLKCTFCOAJWUFC-VWLOTQADSA-N 0 0 533.612 7.374 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000100917405 554519952 /nfs/dbraw/zinc/51/99/52/554519952.db2.gz PYHUVKJWMBMZIF-YIKNKFAXSA-N 0 0 527.536 5.400 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100935961 554529407 /nfs/dbraw/zinc/52/94/07/554529407.db2.gz VGKIVWDFAYNXCS-HZHRSRAPSA-N 0 0 520.588 5.614 50 10 KKCARN Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 ZINC000100945869 554533948 /nfs/dbraw/zinc/53/39/48/554533948.db2.gz HPODGHMDSIXPQH-LWZKJWQTSA-N 0 0 532.025 5.477 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)SC2=S)cc1 ZINC000100967595 554543417 /nfs/dbraw/zinc/54/34/17/554543417.db2.gz HBJJVHOPUKMQDR-MSXFZWOLSA-N 0 0 546.497 6.991 50 10 KKCARN CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000101017524 554561054 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/nfs/dbraw/zinc/13/90/93/555139093.db2.gz FERJTWXPDVGRTE-SLGZMBILSA-N 0 0 572.104 8.088 50 10 KKCARN O=C(COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000102922978 555147620 /nfs/dbraw/zinc/14/76/20/555147620.db2.gz SOWCBNHIMQETHC-UHFFFAOYSA-N 0 0 579.417 5.878 50 10 KKCARN O=C(CN(CCc1ccc(O)c(O)c1)CC(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000102924950 555149152 /nfs/dbraw/zinc/14/91/52/555149152.db2.gz VAVAWJNUVLRERA-UHFFFAOYSA-N 0 0 555.475 5.257 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102931376 555158829 /nfs/dbraw/zinc/15/88/29/555158829.db2.gz YGWCMORZQVQFHY-JFHPUIQFSA-N 0 0 620.499 6.783 50 10 KKCARN CCCCC(=O)N1c2ccc(OCC)cc2/C(=C2\SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000102964792 555179918 /nfs/dbraw/zinc/17/99/18/555179918.db2.gz IPQLBKZOXZPQIT-RMLRFSFXSA-N 0 0 567.798 7.851 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)c1ccc([N+](=O)[O-])cc1 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CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc(O)c(O)cc23)/C(=C\c2ccc3c(c2)OCO3)C1 ZINC000103079322 555257926 /nfs/dbraw/zinc/25/79/26/555257926.db2.gz UWVGAGGHBUNQKK-HSELDNCXSA-N 0 0 605.643 6.987 50 10 KKCARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000103091508 555270220 /nfs/dbraw/zinc/27/02/20/555270220.db2.gz DPWXPPGYAAQVPI-UHFFFAOYSA-N 0 0 535.556 5.031 50 10 KKCARN Cc1ccc(-n2c(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc3ccccc3c2=O)c(C)c1 ZINC000103093050 555272140 /nfs/dbraw/zinc/27/21/40/555272140.db2.gz RZFJSPPOGFCYOC-UHFFFAOYSA-N 0 0 545.620 5.509 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000103093314 555272319 /nfs/dbraw/zinc/27/23/19/555272319.db2.gz ZZVURLNUYGDTIT-KRWDZBQOSA-N 0 0 554.441 6.041 50 10 KKCARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3cc4c(cc3Cl)C(=O)c3ccccc3C4=O)cc12 ZINC000103101453 555278942 /nfs/dbraw/zinc/27/89/42/555278942.db2.gz WGWYPECDYRWKKZ-UHFFFAOYSA-N 0 0 555.999 5.620 50 10 KKCARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000103113806 555286871 /nfs/dbraw/zinc/28/68/71/555286871.db2.gz YRUWDIVDUDCZFQ-UHFFFAOYSA-N 0 0 574.010 5.816 50 10 KKCARN COC(=O)c1cccc(NC(=O)c2cccc(CSc3nc(C)c(C)c(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)c1 ZINC000103199168 555336028 /nfs/dbraw/zinc/33/60/28/555336028.db2.gz XQQPLDOAYLBDLY-UHFFFAOYSA-N 0 0 597.741 5.760 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)c(C)n2-c2ccc(F)cc2F)cc1 ZINC000103211162 555340056 /nfs/dbraw/zinc/34/00/56/555340056.db2.gz KEEQHOKLGYPSOZ-UHFFFAOYSA-N 0 0 591.658 7.005 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408524 555394085 /nfs/dbraw/zinc/39/40/85/555394085.db2.gz JVYXIJDMJZPJBT-UHFFFAOYSA-N 0 0 604.622 6.894 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2F)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408934 555394673 /nfs/dbraw/zinc/39/46/73/555394673.db2.gz CIRGIMITGUPFOX-UHFFFAOYSA-N 0 0 565.494 6.551 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408923 555394772 /nfs/dbraw/zinc/39/47/72/555394772.db2.gz FHMYWAJYWKTHTR-UHFFFAOYSA-N 0 0 564.601 6.263 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408959 555395084 /nfs/dbraw/zinc/39/50/84/555395084.db2.gz JULGOESKKDJGQB-OAQYLSRUSA-N 0 0 597.586 6.490 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408981 555395143 /nfs/dbraw/zinc/39/51/43/555395143.db2.gz JQEFXDQHWJVHFT-QHCPKHFHSA-N 0 0 580.625 5.734 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccco2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408983 555395157 /nfs/dbraw/zinc/39/51/57/555395157.db2.gz JQEFXDQHWJVHFT-HSZRJFAPSA-N 0 0 580.625 5.734 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408984 555395173 /nfs/dbraw/zinc/39/51/73/555395173.db2.gz IJVAUBFFBYHZBR-UHFFFAOYSA-N 0 0 565.519 6.529 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C[C@H]1CCCO1 ZINC000103420642 555400854 /nfs/dbraw/zinc/40/08/54/555400854.db2.gz ZKMGOZZLJWTUOX-HXUWFJFHSA-N 0 0 558.528 5.318 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 ZINC000103429696 555411968 /nfs/dbraw/zinc/41/19/68/555411968.db2.gz RDPSOTDZQLJPDQ-UHFFFAOYSA-N 0 0 543.661 5.643 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103523176 555427644 /nfs/dbraw/zinc/42/76/44/555427644.db2.gz RCDDHSQHFOGGKX-PVHODMMVSA-N 0 0 556.470 7.371 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103531453 555431566 /nfs/dbraw/zinc/43/15/66/555431566.db2.gz LFLSOOQUWDWKCC-IWWXRALLSA-N 0 0 539.631 6.710 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000103532422 555432836 /nfs/dbraw/zinc/43/28/36/555432836.db2.gz 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572152708 /nfs/dbraw/zinc/15/27/08/572152708.db2.gz HFTXTZBLQVGJSF-RWSKJCERSA-N 0 0 557.577 6.067 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227244845 572152750 /nfs/dbraw/zinc/15/27/50/572152750.db2.gz VUTKKSIWHNHNCC-CPCREDONSA-N 0 0 589.619 6.168 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000227244902 572152775 /nfs/dbraw/zinc/15/27/75/572152775.db2.gz GWUBOLFWPWEPAV-NHKHRBQYSA-N 0 0 568.431 7.449 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229591932 572154592 /nfs/dbraw/zinc/15/45/92/572154592.db2.gz JYMJWURAJYXCMG-DTXPUJKBSA-N 0 0 556.574 5.920 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229592636 572154657 /nfs/dbraw/zinc/15/46/57/572154657.db2.gz AEIFFVWUMNZPBH-NHKHRBQYSA-N 0 0 605.444 6.674 50 10 KKCARN O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)S/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000390834830 572155838 /nfs/dbraw/zinc/15/58/38/572155838.db2.gz FZDXVCBAJHFMBU-MOHJPFBDSA-N 0 0 540.066 5.109 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229614449 572156495 /nfs/dbraw/zinc/15/64/95/572156495.db2.gz WPCMTYUUNYPEBU-CPCREDONSA-N 0 0 571.629 6.029 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229613756 572156583 /nfs/dbraw/zinc/15/65/83/572156583.db2.gz PBDXHYMPLMNADN-NXCFDTQHSA-N 0 0 530.451 7.042 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000229862493 572161909 /nfs/dbraw/zinc/16/19/09/572161909.db2.gz AZOGBFNMGYCDSM-DSPMFFIESA-N 0 0 588.103 7.788 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229862446 572161914 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COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000230200550 572185475 /nfs/dbraw/zinc/18/54/75/572185475.db2.gz JCHGTWRFEUZLJH-FRXPANAUSA-N 0 0 546.022 6.665 50 10 KKCARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000238900820 572188956 /nfs/dbraw/zinc/18/89/56/572188956.db2.gz KHFJLXYCYPISTM-NRFANRHFSA-N 0 0 520.873 6.444 50 10 KKCARN O=C(c1ccccc1)N1c2ccc(Br)cc2[C@@H]2C=CC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000245238486 572211952 /nfs/dbraw/zinc/21/19/52/572211952.db2.gz QPHZWGFJQIJOCO-ZFGGDYGUSA-N 0 0 509.241 7.273 50 10 KKCARN O=C1C=CC(=NNc2ccc(Br)cc2)C(N=NC2=CC(=O)C=CC2=NNc2ccc(Br)cc2)=C1 ZINC000245239507 572213026 /nfs/dbraw/zinc/21/30/26/572213026.db2.gz JUUDOIBHBBFUAA-VPILAMLPSA-N 0 0 580.240 9.869 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000245245567 572217674 /nfs/dbraw/zinc/21/76/74/572217674.db2.gz DFFWJZSCXOUYIE-XQKNLLDYSA-N 0 0 560.581 5.648 50 10 KKCARN 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ZINC000002997001 1069846076 /nfs/dbraw/zinc/84/60/76/1069846076.db2.gz JWSFRLAGLHUOIT-LMSRTUJASA-N 0 0 582.509 5.431 50 10 KKCARN O=C(c1ccccc1Br)N1C(=O)/C(=C\c2ccc(I)cc2)SC1=S ZINC000408718142 1069856941 /nfs/dbraw/zinc/85/69/41/1069856941.db2.gz MGCWKKYBCIXKRZ-NTEUORMPSA-N 0 0 530.206 5.095 50 10 KKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000003880295 1070947595 /nfs/dbraw/zinc/94/75/95/1070947595.db2.gz SZUJKUKJNUXFLT-MEFGMAGPSA-N 0 0 505.643 6.434 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000102971287 1071059811 /nfs/dbraw/zinc/05/98/11/1071059811.db2.gz HAFSIPAAXKYSGC-KEEQDABMSA-N 0 0 627.811 5.276 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)/C=C\c4cc(OC)c(OC)c(OC)c4)n3)c2C)cc1 ZINC000103047639 1071151715 /nfs/dbraw/zinc/15/17/15/1071151715.db2.gz ZMPRLAOEVGVBGF-GHXNOFRVSA-N 0 0 547.633 5.682 50 10 KKCARN 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UHJKHUCGEMYTPM-SETSBSEESA-N 0 0 518.952 6.079 50 10 KKCARN Cc1ccc([C@@H]2C3(O[C@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001013788 551596993 /nfs/dbraw/zinc/59/69/93/551596993.db2.gz VVKYJUVYWUOPMN-SUYBVONHSA-N 0 0 532.979 6.387 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001018086 551597247 /nfs/dbraw/zinc/59/72/47/551597247.db2.gz PMWSUKXORSNIFU-ODLFYWEKSA-N 0 0 534.515 6.271 50 10 KKCARN Cc1ccccc1C(=O)NN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S ZINC000001242692 551630856 /nfs/dbraw/zinc/63/08/56/551630856.db2.gz RLLMCWUMYMJMCS-DQRAZIAOSA-N 0 0 520.035 5.112 50 10 KKCARN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000001274512 551635503 /nfs/dbraw/zinc/63/55/03/551635503.db2.gz FVBOHWRREFRLSC-UHFFFAOYSA-N 0 0 573.630 5.240 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000001300981 551638215 /nfs/dbraw/zinc/63/82/15/551638215.db2.gz OUSANOFUFYMWFL-KQWNVCNZSA-N 0 0 504.658 6.116 50 10 biogenic KKCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000001467611 551680216 /nfs/dbraw/zinc/68/02/16/551680216.db2.gz LKWRTGDSTZBCPN-AUAXKSBWSA-N 0 0 505.665 5.707 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000001758656 551694058 /nfs/dbraw/zinc/69/40/58/551694058.db2.gz KGALHGYBSBDADS-GDWJVWIDSA-N 0 0 571.789 8.193 50 10 KKCARN CCOc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)(C)C(=S)/C2=C1\SC(C(=O)OC)=C(c2ccccc2)S1 ZINC000001764310 551694656 /nfs/dbraw/zinc/69/46/56/551694656.db2.gz WMDBPHLFPGEMIH-KRUMMXJUSA-N 0 0 573.761 7.585 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3cc(C)ccc3C)C1=N2 ZINC000001790714 551701476 /nfs/dbraw/zinc/70/14/76/551701476.db2.gz TZVWGPBZRCCQAI-JGCGQSQUSA-N 0 0 551.698 7.659 50 10 KKCARN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000001809949 551705488 /nfs/dbraw/zinc/70/54/88/551705488.db2.gz KPZKPHLLKPZELK-WDDBSPGISA-N 0 0 512.436 5.344 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000001823986 551709499 /nfs/dbraw/zinc/70/94/99/551709499.db2.gz KVAQNOXWIGDDOB-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN CCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000001824972 551709736 /nfs/dbraw/zinc/70/97/36/551709736.db2.gz RTGKBOKRFYRYNI-VXPUYCOJSA-N 0 0 519.570 5.062 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc4ccccc43)SC2=S)cc1 ZINC000001831492 551711444 /nfs/dbraw/zinc/71/14/44/551711444.db2.gz QFKIARRXTYRQEC-PKAZHMFMSA-N 0 0 532.086 7.877 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000001835405 551712326 /nfs/dbraw/zinc/71/23/26/551712326.db2.gz ZJGPINOMWRCVGB-OQTLSSFXSA-N 0 0 534.062 5.658 50 10 KKCARN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001837126 551712643 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Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=O)C1=N2 ZINC000008741309 553132865 /nfs/dbraw/zinc/13/28/65/553132865.db2.gz BDUNSGMYADRGAQ-NRFANRHFSA-N 0 0 501.344 5.285 50 10 KKCARN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000008744302 553134206 /nfs/dbraw/zinc/13/42/06/553134206.db2.gz MVCKGRQDLJSBCU-UHFFFAOYSA-N 0 0 507.571 5.353 50 10 KKCARN CC(Nc1ccc(Cl)c(C(F)(F)F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000008749743 553135246 /nfs/dbraw/zinc/13/52/46/553135246.db2.gz NUFQOQRFMHCBKK-UCQKPKSFSA-N 0 0 593.483 8.503 50 10 KKCARN CN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000008777586 553142634 /nfs/dbraw/zinc/14/26/34/553142634.db2.gz FAWUTCQLLOFXLK-FSGOGVSDSA-N 0 0 563.679 5.381 50 10 KKCARN CCN1C(=O)/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778026 553143318 /nfs/dbraw/zinc/14/33/18/553143318.db2.gz CDOZMPVXCQWXLS-ANYBSYGZSA-N 0 0 585.726 5.347 50 10 KKCARN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777972 553143326 /nfs/dbraw/zinc/14/33/26/553143326.db2.gz LNCDSYVSJCINOH-IWIPYMOSSA-N 0 0 582.509 5.534 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(F)cc3)C2=O)SC1=S ZINC000008817106 553152375 /nfs/dbraw/zinc/15/23/75/553152375.db2.gz FUBSYJLVZDBOCC-TZFALNRWSA-N 0 0 525.671 5.599 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)sc2c1CCCC2 ZINC000008820319 553155433 /nfs/dbraw/zinc/15/54/33/553155433.db2.gz LGWCUORNPWXMNV-LGMDPLHJSA-N 0 0 504.655 5.017 50 10 KKCARN CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1 ZINC000008856405 553167591 /nfs/dbraw/zinc/16/75/91/553167591.db2.gz DKAAIPSNWAMDCF-QJOMJCCJSA-N 0 0 509.722 6.279 50 10 KKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(I)c1 ZINC000008872159 553172474 /nfs/dbraw/zinc/17/24/74/553172474.db2.gz YUOOAMMRUHYSIC-QGOAFFKASA-N 0 0 584.240 8.329 50 10 KKCARN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)ccc1Cl ZINC000008872167 553172546 /nfs/dbraw/zinc/17/25/46/553172546.db2.gz VQELSDLTJIBNDK-QGOAFFKASA-N 0 0 550.825 8.165 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1Cl ZINC000008872200 553172635 /nfs/dbraw/zinc/17/26/35/553172635.db2.gz NRHUQMZNWKTUOG-CAPFRKAQSA-N 0 0 502.795 7.834 50 10 KKCARN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1 ZINC000008872504 553173533 /nfs/dbraw/zinc/17/35/33/553173533.db2.gz HRTWEGCWSQNSGE-XSFVSMFZSA-N 0 0 551.267 8.796 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)S3)CC2)cc1 ZINC000008914012 553185787 /nfs/dbraw/zinc/18/57/87/553185787.db2.gz BVIUZMUUJKFTEU-NLRVBDNBSA-N 0 0 514.607 5.275 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000009009683 553199504 /nfs/dbraw/zinc/19/95/04/553199504.db2.gz FHZRPCIBIQKTFI-ZONZVBGPSA-N 0 0 513.977 5.380 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000009010012 553199714 /nfs/dbraw/zinc/19/97/14/553199714.db2.gz XRRXWGYLSWIXPW-QKDODKLFSA-N 0 0 505.570 6.204 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009016073 553200578 /nfs/dbraw/zinc/20/05/78/553200578.db2.gz ZEPRCVPDBMDHNH-PFBJBMPXSA-N 0 0 513.977 5.380 50 10 KKCARN COc1ccc(-c2coc3c(C[N@@H+]4CCC[C@H](C)C4)c([O-])c(C[NH+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034085 553201930 /nfs/dbraw/zinc/20/19/30/553201930.db2.gz IYQRVYVIOCGQIP-UXHICEINSA-N 0 0 506.643 5.344 50 10 biogenic KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000009035536 553202094 /nfs/dbraw/zinc/20/20/94/553202094.db2.gz OIGHBIWWOOXXGQ-SIKLNZKXSA-N 0 0 500.190 6.160 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000009057118 553204634 /nfs/dbraw/zinc/20/46/34/553204634.db2.gz UZTPKRORGRJVGB-DEDYPNTBSA-N 0 0 522.486 5.753 50 10 KKCARN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111077 553210256 /nfs/dbraw/zinc/21/02/56/553210256.db2.gz IZIAOPADRCMXMO-JVPIYLDOSA-N 0 0 506.602 5.284 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1C ZINC000009112993 553210592 /nfs/dbraw/zinc/21/05/92/553210592.db2.gz AQSIPPGMVSEMNM-OVVQPSECSA-N 0 0 519.688 6.561 50 10 KKCARN Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)cc1C ZINC000009136287 553213436 /nfs/dbraw/zinc/21/34/36/553213436.db2.gz LEKPMXRMJXAOLR-KYTOZCRMSA-N 0 0 502.621 5.490 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OCC)c3)C2=N)S1 ZINC000009144481 553213633 /nfs/dbraw/zinc/21/36/33/553213633.db2.gz ARSBUEGCLLEUNR-BFYSQZLCSA-N 0 0 520.655 5.969 50 10 KKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158552 553215066 /nfs/dbraw/zinc/21/50/66/553215066.db2.gz BGJBHNMVORQADH-LBGGBARHSA-N 0 0 527.731 5.305 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000009166693 553215658 /nfs/dbraw/zinc/21/56/58/553215658.db2.gz SIMNBLHTCHUJGJ-UGHLTKRUSA-N 0 0 519.736 7.274 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000009184935 553216966 /nfs/dbraw/zinc/21/69/66/553216966.db2.gz GBKWNROOTHCFFM-ZDFNEKIDSA-N 0 0 508.390 5.635 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1C ZINC000009187040 553217915 /nfs/dbraw/zinc/21/79/15/553217915.db2.gz PHIYTEDVZDWXPZ-FSJBWODESA-N 0 0 500.472 7.595 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000009233048 553224065 /nfs/dbraw/zinc/22/40/65/553224065.db2.gz LBOPRHWTYVNVEP-BUVRLJJBSA-N 0 0 504.633 5.735 50 10 KKCARN Cc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000009233447 553224378 /nfs/dbraw/zinc/22/43/78/553224378.db2.gz WAQZTQMJFKEMLX-OPEKNORGSA-N 0 0 509.027 6.836 50 10 KKCARN 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CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1Cl ZINC000013750770 553487982 /nfs/dbraw/zinc/48/79/82/553487982.db2.gz LMJRJYLKMCDIGC-ULJHMMPZSA-N 0 0 507.059 6.438 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000013751991 553488113 /nfs/dbraw/zinc/48/81/13/553488113.db2.gz KLTAKNVTWVWHGX-FSBBWMIQSA-N 0 0 516.667 5.798 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000013798706 553490998 /nfs/dbraw/zinc/49/09/98/553490998.db2.gz MQXFXDOVPQKRQG-JFNBYNEHSA-N 0 0 523.658 6.746 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)cc1 ZINC000013800293 553491257 /nfs/dbraw/zinc/49/12/57/553491257.db2.gz KFWGXFJEHNYVHX-ZLVHZUDPSA-N 0 0 504.615 6.333 50 10 KKCARN N=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013800365 553491266 /nfs/dbraw/zinc/49/12/66/553491266.db2.gz BBNFPMSUDMIYOW-YHMNYDHASA-N 0 0 501.995 6.102 50 10 KKCARN 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COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000013895750 553494728 /nfs/dbraw/zinc/49/47/28/553494728.db2.gz AMENTIFUCXKHLA-LWZKJWQTSA-N 0 0 500.555 5.389 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013896561 553494840 /nfs/dbraw/zinc/49/48/40/553494840.db2.gz JLZLFHHDWHEZHJ-ZHXICNOMSA-N 0 0 505.559 5.902 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc(C)cc3)C2=N)S1 ZINC000013897239 553495022 /nfs/dbraw/zinc/49/50/22/553495022.db2.gz DVORMRVZIRTGMB-MRKXPFMVSA-N 0 0 513.417 5.244 50 10 KKCARN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)SC2=S)cc1 ZINC000013940479 553496336 /nfs/dbraw/zinc/49/63/36/553496336.db2.gz GJDIEXITPXOBNC-UCQKPKSFSA-N 0 0 500.472 7.541 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000013942082 553496629 /nfs/dbraw/zinc/49/66/29/553496629.db2.gz WQRJVAWKKIIADF-STZFKDTASA-N 0 0 511.024 5.474 50 10 KKCARN Cc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000013941813 553496633 /nfs/dbraw/zinc/49/66/33/553496633.db2.gz NEIZZAPISBMKRF-JLPGSUDCSA-N 0 0 506.605 6.075 50 10 KKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000015746023 553536075 /nfs/dbraw/zinc/53/60/75/553536075.db2.gz UFUPCXIFCXCVHA-NDENLUEZSA-N 0 0 500.439 6.069 50 10 KKCARN COc1cc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000015954644 553545973 /nfs/dbraw/zinc/54/59/73/553545973.db2.gz MELGFTPIVWZZAB-KCHLEUMXSA-N 0 0 523.585 5.043 50 10 biogenic KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000015954659 553546002 /nfs/dbraw/zinc/54/60/02/553546002.db2.gz GUBVDEQSHXPMDE-RWSKJCERSA-N 0 0 525.604 6.320 50 10 biogenic KKCARN COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000016001770 553550065 /nfs/dbraw/zinc/55/00/65/553550065.db2.gz ZEPRCVPDBMDHNH-OYUWMTPXSA-N 0 0 513.977 5.380 50 10 KKCARN CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21 ZINC000016001586 553550080 /nfs/dbraw/zinc/55/00/80/553550080.db2.gz HFUNXIVXRVSAQK-KKUQBAQOSA-N 0 0 502.397 6.324 50 10 KKCARN O=C(c1ccccc1F)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016001954 553550111 /nfs/dbraw/zinc/55/01/11/553550111.db2.gz LAGLULYXSSDMBE-NHKHRBQYSA-N 0 0 517.531 6.281 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000016038221 553552544 /nfs/dbraw/zinc/55/25/44/553552544.db2.gz ORJMQUDNEAYLLH-OIFRRMEBSA-N 0 0 511.577 6.012 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c1 ZINC000016292697 553559250 /nfs/dbraw/zinc/55/92/50/553559250.db2.gz PKGCHEPSVUZENS-ZZZAPRPPSA-N 0 0 520.593 5.446 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000016700843 553574567 /nfs/dbraw/zinc/57/45/67/553574567.db2.gz KCAQYHUNBVXJSK-UPHPNCSHSA-N 0 0 518.708 5.153 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S ZINC000016729183 553575587 /nfs/dbraw/zinc/57/55/87/553575587.db2.gz VBHUZVYQNJTIEC-ULJHMMPZSA-N 0 0 509.672 6.859 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1F ZINC000016729201 553575613 /nfs/dbraw/zinc/57/56/13/553575613.db2.gz FFCPHEPMKPJLAO-UCQKPKSFSA-N 0 0 505.596 6.072 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S ZINC000016729857 553575938 /nfs/dbraw/zinc/57/59/38/553575938.db2.gz NJLXBNOKBFOPRK-XYGWBWBKSA-N 0 0 521.708 6.120 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000016730231 553576572 /nfs/dbraw/zinc/57/65/72/553576572.db2.gz NLSXDMCYDAHMII-JCMHNJIXSA-N 0 0 514.072 5.829 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCC)C2=O)SC1=S ZINC000016731917 553577282 /nfs/dbraw/zinc/57/72/82/553577282.db2.gz AMGWXVKJCYYGTG-MVZUJROASA-N 0 0 509.535 6.384 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCC)C2=O)SC1=S ZINC000016731919 553577304 /nfs/dbraw/zinc/57/73/04/553577304.db2.gz AMGWXVKJCYYGTG-DNTCVELPSA-N 0 0 509.535 6.384 50 10 KKCARN C[C@@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)C1 ZINC000016733573 553578173 /nfs/dbraw/zinc/57/81/73/553578173.db2.gz ASAHMZPVJGKXLQ-POKCEJIYSA-N 0 0 525.099 5.232 50 10 KKCARN Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016734247 553578502 /nfs/dbraw/zinc/57/85/02/553578502.db2.gz JUFSBJLAZCCNFU-UCQKPKSFSA-N 0 0 512.660 5.325 50 10 KKCARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000016790598 553582466 /nfs/dbraw/zinc/58/24/66/553582466.db2.gz JYIREQLTJMEYPH-KGENOOAVSA-N 0 0 509.008 5.414 50 10 KKCARN CCCC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000016790881 553582696 /nfs/dbraw/zinc/58/26/96/553582696.db2.gz DNNBTOAOILLBAQ-SNBKPDPGSA-N 0 0 500.883 6.618 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000016791068 553582731 /nfs/dbraw/zinc/58/27/31/553582731.db2.gz DOMAQNZTRFIJBY-VKINRBECSA-N 0 0 520.680 6.865 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000017136166 553588714 /nfs/dbraw/zinc/58/87/14/553588714.db2.gz DCNZDVKSLULVGO-QRVIBDJDSA-N 0 0 516.471 7.377 50 10 KKCARN CCc1cc(C)cc(OCCOc2cccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c1 ZINC000017180801 553590054 /nfs/dbraw/zinc/59/00/54/553590054.db2.gz CDAKEOQBYWFEGJ-KAQAUCHWSA-N 0 0 509.631 6.319 50 10 KKCARN O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000017241563 553590895 /nfs/dbraw/zinc/59/08/95/553590895.db2.gz LAHAAMVOLVWARA-BWAHOGKJSA-N 0 0 509.949 6.662 50 10 KKCARN COc1cccc([C@@H]2C[C@@H](c3cc(Br)ccc3O)N[C@@H](c3ccc(Br)cc3)N2)c1 ZINC000020133044 553592327 /nfs/dbraw/zinc/59/23/27/553592327.db2.gz XHGVQCPNPRRARP-FUDKSRODSA-N 0 0 518.249 5.990 50 10 KKCARN Cc1cc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)ccc1Cl ZINC000018021798 553601793 /nfs/dbraw/zinc/60/17/93/553601793.db2.gz GDXJUTXJDULEIE-FKBYEOEOSA-N 0 0 550.792 5.106 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000070673484 553603701 /nfs/dbraw/zinc/60/37/01/553603701.db2.gz ANTYNPVWLIJLPM-RWSKJCERSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Br)c1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000018179028 553607455 /nfs/dbraw/zinc/60/74/55/553607455.db2.gz DWBDWVBAHRGQST-HBMCJLEFSA-N 0 0 571.210 5.451 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2cccc4ccccc42)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000018181689 553607751 /nfs/dbraw/zinc/60/77/51/553607751.db2.gz RSUVJNZWVQTZBO-GMQQYTKMSA-N 0 0 501.538 5.152 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070687890 553607818 /nfs/dbraw/zinc/60/78/18/553607818.db2.gz ALAJBVIRGKZBGY-OWHBQTKESA-N 0 0 571.629 6.029 50 10 biogenic KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2cccc(OC)c2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000070687926 553607830 /nfs/dbraw/zinc/60/78/30/553607830.db2.gz NSRMBQRBEXGSCF-YKILCQELSA-N 0 0 555.630 6.410 50 10 biogenic KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000070699752 553616904 /nfs/dbraw/zinc/61/69/04/553616904.db2.gz RXGWKRPJCPRRPG-YKILCQELSA-N 0 0 601.655 6.037 50 10 biogenic KKCARN N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000020238881 553624298 /nfs/dbraw/zinc/62/42/98/553624298.db2.gz HPOFRKLNQNGXET-NSRJHJJVSA-N 0 0 512.682 6.093 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238988 553624603 /nfs/dbraw/zinc/62/46/03/553624603.db2.gz IMINSUJMBFVWID-LMEPTBFJSA-N 0 0 501.524 5.115 50 10 KKCARN Cc1cccc(OCCCn2cccc2/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1 ZINC000020032102 553665856 /nfs/dbraw/zinc/66/58/56/553665856.db2.gz XMUQNENRUDZLHR-ZSEUTSBQSA-N 0 0 515.664 5.776 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000020037524 553667974 /nfs/dbraw/zinc/66/79/74/553667974.db2.gz YPVYYTVBNCEQDA-XACBAGQRSA-N 0 0 511.559 5.307 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000020728910 553691214 /nfs/dbraw/zinc/69/12/14/553691214.db2.gz BNGPJQXPWVSLNF-UHFFFAOYSA-N 0 0 519.130 5.563 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(SC)c3)ccc21 ZINC000020728914 553691265 /nfs/dbraw/zinc/69/12/65/553691265.db2.gz VMJKGEZMWXPAOJ-UHFFFAOYSA-N 0 0 512.789 5.492 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3c(C)cccc3C)ccc21 ZINC000020730816 553691798 /nfs/dbraw/zinc/69/17/98/553691798.db2.gz IMWKQHYPKLHUDG-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(Cl)c3C)ccc21 ZINC000020730508 553691832 /nfs/dbraw/zinc/69/18/32/553691832.db2.gz SWYZZDMTAJHKSX-UHFFFAOYSA-N 0 0 529.194 6.122 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C(F)(F)F)c3)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000020731224 553691838 /nfs/dbraw/zinc/69/18/38/553691838.db2.gz LQJDCAJCWASWSZ-NBGIEHNGSA-N 0 0 503.678 7.646 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(C)c(C)c3)ccc21 ZINC000020730836 553691853 /nfs/dbraw/zinc/69/18/53/553691853.db2.gz YAKBDIHJLMCTHO-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cc(C)ccc3C)ccc21 ZINC000020730849 553691875 /nfs/dbraw/zinc/69/18/75/553691875.db2.gz PBAFKPBIZITRBP-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764349 553696678 /nfs/dbraw/zinc/69/66/78/553696678.db2.gz AKFVWVYTCCVVNZ-PXDATVDWSA-N 0 0 515.835 6.438 50 10 KKCARN COc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764584 553696712 /nfs/dbraw/zinc/69/67/12/553696712.db2.gz BTIJGNUIDWJPPH-URXFXBBRSA-N 0 0 501.808 6.048 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000020765219 553697001 /nfs/dbraw/zinc/69/70/01/553697001.db2.gz KVYXHWZSCLDKNC-FDDCHVKYSA-N 0 0 503.755 5.898 50 10 KKCARN Cc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764933 553697009 /nfs/dbraw/zinc/69/70/09/553697009.db2.gz RXWPPAFQZSDFQF-GGAORHGYSA-N 0 0 518.224 6.587 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(-c4ncc(-c5ccccc5)o4)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096022671 553722125 /nfs/dbraw/zinc/72/21/25/553722125.db2.gz RJFKAUIHMBBQAL-XUOQQPDLSA-N 0 0 621.785 8.577 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000096288722 553740509 /nfs/dbraw/zinc/74/05/09/553740509.db2.gz DNIXSQZZSJAFTQ-UHFFFAOYSA-N 0 0 514.475 5.301 50 10 KKCARN CCOC(=O)c1c(COc2ccccc2)n(C)c2cc(Br)c([O-])c(C[NH+]3CCCCC3)c21 ZINC000022520924 553744294 /nfs/dbraw/zinc/74/42/94/553744294.db2.gz MJJYSRHUVWPUFR-UHFFFAOYSA-N 0 0 501.421 5.388 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(C)=O)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294669 553748104 /nfs/dbraw/zinc/74/81/04/553748104.db2.gz PHCDVWIXKQCMEA-UHFFFAOYSA-N 0 0 501.476 5.612 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N[C@H](C)c4ccccc4)[C@H]3C2)cc1 ZINC000096457009 553754569 /nfs/dbraw/zinc/75/45/69/553754569.db2.gz GMIMOYIDAPAQCL-WMTVXVAQSA-N 0 0 509.572 5.459 50 10 KKCARN CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096562107 553755504 /nfs/dbraw/zinc/75/55/04/553755504.db2.gz UOCJQDZDQHKHMX-UHFFFAOYSA-N 0 0 525.004 7.849 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000096930654 553758219 /nfs/dbraw/zinc/75/82/19/553758219.db2.gz XTQGDHDLHSTDNZ-WLVCJLKNSA-N 0 0 505.603 5.696 50 10 KKCARN O=C(Cc1ccccc1)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 ZINC000022845144 553760085 /nfs/dbraw/zinc/76/00/85/553760085.db2.gz XJAJELMGGCADLX-PJGGMPLZSA-N 0 0 520.614 6.707 50 10 KKCARN CC(NCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000097944445 553769529 /nfs/dbraw/zinc/76/95/29/553769529.db2.gz PHHIFSLNEWUWPM-GJEUYDLNSA-N 0 0 569.489 5.893 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)SC2=S)cc1OC ZINC000097946063 553776454 /nfs/dbraw/zinc/77/64/54/553776454.db2.gz LALNSKBQPRKWKM-HAHDFKILSA-N 0 0 541.672 5.437 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1oc2ccccc2c1C ZINC000097946178 553777131 /nfs/dbraw/zinc/77/71/31/553777131.db2.gz FWHYLCCYBIDIMZ-XYGWBWBKSA-N 0 0 529.639 6.761 50 10 KKCARN COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)CC2)cc1 ZINC000097946171 553777160 /nfs/dbraw/zinc/77/71/60/553777160.db2.gz IPCLWRBFKHAOKE-DIBXZPPDSA-N 0 0 597.766 5.048 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000097946159 553777218 /nfs/dbraw/zinc/77/72/18/553777218.db2.gz 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10 KKCARN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)cc2OC)cc1 ZINC000097958962 553859395 /nfs/dbraw/zinc/85/93/95/553859395.db2.gz PPONVHUHMXIVIH-LPPQVVFQSA-N 0 0 598.725 6.651 50 10 KKCARN CC[C@@H](C)c1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097958955 553859408 /nfs/dbraw/zinc/85/94/08/553859408.db2.gz BCTQJOLPMLNTDM-XAUWAZNKSA-N 0 0 552.161 8.103 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000097959055 553860382 /nfs/dbraw/zinc/86/03/82/553860382.db2.gz IMZPPFLPQLDNMN-IRCMEVCOSA-N 0 0 546.693 6.359 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000097959426 553863651 /nfs/dbraw/zinc/86/36/51/553863651.db2.gz WMQHQYRPLVQSRN-MTJSOVHGSA-N 0 0 563.459 6.564 50 10 KKCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000032121201 553865644 /nfs/dbraw/zinc/86/56/44/553865644.db2.gz WZQFJMQPNAYLGP-ZYGALDRNSA-N 0 0 530.734 6.002 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(I)cc3)C2=O)cc1Br ZINC000097960940 553874376 /nfs/dbraw/zinc/87/43/76/553874376.db2.gz GGYMDMXCWGWGLU-AQTBWJFISA-N 0 0 558.213 6.534 50 10 KKCARN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC ZINC000097962113 553883111 /nfs/dbraw/zinc/88/31/11/553883111.db2.gz UDXPESIVVANPJK-AQTBWJFISA-N 0 0 521.458 5.183 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000097962150 553883340 /nfs/dbraw/zinc/88/33/40/553883340.db2.gz RSVBNCPLJQRWTN-FYJGNVAPSA-N 0 0 620.465 5.564 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000097962224 553883893 /nfs/dbraw/zinc/88/38/93/553883893.db2.gz RZWRRLBTSXJFLN-WSDLNYQXSA-N 0 0 534.461 7.516 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)S2)cc1 ZINC000097962631 553884602 /nfs/dbraw/zinc/88/46/02/553884602.db2.gz ONMFPMDAIBTTNP-FMCGGJTJSA-N 0 0 608.341 7.825 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(OCCOc5ccc(C)c(C)c5)c(Cl)c4)C3=N)S2)cc1 ZINC000097963049 553886421 /nfs/dbraw/zinc/88/64/21/553886421.db2.gz XLUJQVRHNCWMFO-ZXALEFIUSA-N 0 0 545.064 6.391 50 10 KKCARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040535 553893473 /nfs/dbraw/zinc/89/34/73/553893473.db2.gz UTMUOTJUDACOJY-LJAQVGFWSA-N 0 0 510.707 7.183 50 10 KKCARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040519 553893561 /nfs/dbraw/zinc/89/35/61/553893561.db2.gz VLUNPVVSOGZVMH-MUUNZHRXSA-N 0 0 512.679 6.629 50 10 KKCARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040588 553893801 /nfs/dbraw/zinc/89/38/01/553893801.db2.gz IZSAVVYPJRTJMO-LJAQVGFWSA-N 0 0 510.707 7.183 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CCCC4)cc1 ZINC000033040629 553893962 /nfs/dbraw/zinc/89/39/62/553893962.db2.gz ORSRSTNLISFNFN-NDEPHWFRSA-N 0 0 514.670 6.438 50 10 KKCARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040625 553893972 /nfs/dbraw/zinc/89/39/72/553893972.db2.gz OWNCLSLGRRRCHX-LJAQVGFWSA-N 0 0 526.706 6.307 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)cc1C)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051217 553895911 /nfs/dbraw/zinc/89/59/11/553895911.db2.gz GYLIVXBHHREDSC-WJOKGBTCSA-N 0 0 530.676 6.791 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)cc1 ZINC000097964056 553896348 /nfs/dbraw/zinc/89/63/48/553896348.db2.gz NRZJEZHTBSQPDJ-JFSIGMPTSA-N 0 0 554.672 6.356 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)cc1 ZINC000097964057 553896382 /nfs/dbraw/zinc/89/63/82/553896382.db2.gz NRZJEZHTBSQPDJ-XSPMQRBPSA-N 0 0 554.672 6.356 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000097964136 553896548 /nfs/dbraw/zinc/89/65/48/553896548.db2.gz KWHXAQLBUHIJRP-NBQDTTAVSA-N 0 0 594.712 5.006 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000097964135 553896560 /nfs/dbraw/zinc/89/65/60/553896560.db2.gz KWHXAQLBUHIJRP-MRWVFDTMSA-N 0 0 594.712 5.006 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964341 553897480 /nfs/dbraw/zinc/89/74/80/553897480.db2.gz XNEAWEOKADWMNF-CLYRCMFSSA-N 0 0 567.696 6.239 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1OC ZINC000097964906 553901616 /nfs/dbraw/zinc/90/16/16/553901616.db2.gz ZHNZKIUUOQDZPM-NCSIWBMRSA-N 0 0 560.701 6.395 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C2=N)S1 ZINC000097964935 553901964 /nfs/dbraw/zinc/90/19/64/553901964.db2.gz XWPBTFJVQMPAFB-XDNQISTESA-N 0 0 574.493 7.003 50 10 KKCARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1N=C2/C(=C/c3ccc(N4CCOCC4)cc3)CCC[C@H]2[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000097965211 553903586 /nfs/dbraw/zinc/90/35/86/553903586.db2.gz IXAHVMZDTXTIBD-BIFCKFRRSA-N 0 0 689.860 8.012 50 10 KKCARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCOc2ccc(Cl)cc2C)c1 ZINC000097965666 553905808 /nfs/dbraw/zinc/90/58/08/553905808.db2.gz UTSDJOJNPONBBQ-XQQUEIPISA-N 0 0 633.576 9.621 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=N)S1 ZINC000097966220 553907619 /nfs/dbraw/zinc/90/76/19/553907619.db2.gz KEJMIZSEQNTIJG-TVRHKFALSA-N 0 0 560.417 5.298 50 10 KKCARN Cc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1Cl ZINC000097966238 553907670 /nfs/dbraw/zinc/90/76/70/553907670.db2.gz PPNZTGYLVBABCQ-RIILZDCMSA-N 0 0 585.900 7.080 50 10 KKCARN CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21 ZINC000097966574 553909233 /nfs/dbraw/zinc/90/92/33/553909233.db2.gz MZLOPEARDQUHLJ-UYRXBGFRSA-N 0 0 598.238 5.329 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3c(-c4cccc(OC)c4)cc4c3CCCCC4)cc2)C1 ZINC000033114809 553910883 /nfs/dbraw/zinc/91/08/83/553910883.db2.gz XGXWODFLXMBANW-RUZDIDTESA-N 0 0 500.639 5.837 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000033155013 553911424 /nfs/dbraw/zinc/91/14/24/553911424.db2.gz FRDBEWXYLKVRKS-SFQUDFHCSA-N 0 0 501.207 7.236 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1F)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266840 553917475 /nfs/dbraw/zinc/91/74/75/553917475.db2.gz IVLIRFJBOHQYTN-LJAQVGFWSA-N 0 0 520.612 6.314 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266831 553917596 /nfs/dbraw/zinc/91/75/96/553917596.db2.gz MUARGFJYRGXKKW-GDLZYMKVSA-N 0 0 502.622 6.175 50 10 KKCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000033347634 553921853 /nfs/dbraw/zinc/92/18/53/553921853.db2.gz PWGYLPZGXLMYTK-USHMODERSA-N 0 0 505.643 6.459 50 10 KKCARN CCOc1ccc([C@@H]2C3(O[C@@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000033353560 553925957 /nfs/dbraw/zinc/92/59/57/553925957.db2.gz NAXLMQXYXIDFAB-UCGGBYDDSA-N 0 0 563.005 6.477 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCSc1cccc2ccccc21 ZINC000033353794 553927107 /nfs/dbraw/zinc/92/71/07/553927107.db2.gz JCTYCSGVOKNRIS-CLBQFBSBSA-N 0 0 530.675 6.439 50 10 KKCARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccc(I)cc1 ZINC000033354725 553931247 /nfs/dbraw/zinc/93/12/47/553931247.db2.gz NIIKNTUMLZFCFS-ZSOIEALJSA-N 0 0 521.232 5.869 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000097968538 553933307 /nfs/dbraw/zinc/93/33/07/553933307.db2.gz ZIXPTHXLJVDGDM-GLEKVNMISA-N 0 0 563.104 6.746 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097969162 553937411 /nfs/dbraw/zinc/93/74/11/553937411.db2.gz CTNPDBKYKHOHOP-HYARGMPZSA-N 0 0 552.405 7.065 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000033356319 553940650 /nfs/dbraw/zinc/94/06/50/553940650.db2.gz FIFKQUAPKDTJME-ADKREUBMSA-N 0 0 520.412 5.246 50 10 KKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000033383821 553958084 /nfs/dbraw/zinc/95/80/84/553958084.db2.gz WDIFCBRFMQCBMR-DEDYPNTBSA-N 0 0 514.470 5.922 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@@H]3C2)cc1 ZINC000033428974 553959441 /nfs/dbraw/zinc/95/94/41/553959441.db2.gz UWUPDEOBNQWGSH-LMSSTIIKSA-N 0 0 501.030 5.317 50 10 KKCARN Cc1cc(Cl)ccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21 ZINC000033429581 553959770 /nfs/dbraw/zinc/95/97/70/553959770.db2.gz JLCNJSZWEKEBHB-DDSBZIKFSA-N 0 0 506.031 5.957 50 10 KKCARN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000097971177 553961087 /nfs/dbraw/zinc/96/10/87/553961087.db2.gz CBGUSAXXYRWNFX-YDZOJQKFSA-N 0 0 532.684 8.468 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971218 553961590 /nfs/dbraw/zinc/96/15/90/553961590.db2.gz QVTDIRLIHNBIHW-RIZLRKHKSA-N 0 0 668.263 7.710 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)C[C@H](C)C3)nc12 ZINC000033657351 553966499 /nfs/dbraw/zinc/96/64/99/553966499.db2.gz NYTVPOVKLSLXOR-MDLSHZCNSA-N 0 0 518.708 5.448 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000033698924 553968946 /nfs/dbraw/zinc/96/89/46/553968946.db2.gz GNYLEDKQQWTARR-NLRVBDNBSA-N 0 0 511.672 7.042 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000033861568 553975472 /nfs/dbraw/zinc/97/54/72/553975472.db2.gz MSIYWNHCSLEQMR-JWGRYVKWSA-N 0 0 510.128 7.610 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 ZINC000033910866 553976395 /nfs/dbraw/zinc/97/63/95/553976395.db2.gz BBRMLROMAJWAQT-NDWLXSOOSA-N 0 0 504.681 5.202 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000034106243 553980622 /nfs/dbraw/zinc/98/06/22/553980622.db2.gz BFPHXOMSBIBSNL-OVVQPSECSA-N 0 0 525.699 7.038 50 10 KKCARN CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21 ZINC000034379135 553981460 /nfs/dbraw/zinc/98/14/60/553981460.db2.gz IHNNNPAXINOYHU-CJLVFECKSA-N 0 0 500.396 5.505 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979962 553983947 /nfs/dbraw/zinc/98/39/47/553983947.db2.gz XJVWZSUDCMTEDP-KBFIDTEKSA-N 0 0 559.179 7.387 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979988 553984289 /nfs/dbraw/zinc/98/42/89/553984289.db2.gz OCKBIWXCNUZBMP-QVFDORCASA-N 0 0 558.726 7.174 50 10 KKCARN CCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000034856728 554021516 /nfs/dbraw/zinc/02/15/16/554021516.db2.gz FXNYFUCCZSDTGN-HAVVHWLPSA-N 0 0 518.708 5.073 50 10 KKCARN O=C1c2ccccc2C(=O)c2c(Nc3ccc(Br)cc3)ccc(Nc3ccc(Br)cc3)c21 ZINC000098001184 554051610 /nfs/dbraw/zinc/05/16/10/554051610.db2.gz PTHPPFUQYJXFDU-UHFFFAOYSA-N 0 0 548.234 7.474 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(OC)cc3N(C(=O)c3ccccc3I)C(C)(C)C2=S)S1 ZINC000098002589 554053730 /nfs/dbraw/zinc/05/37/30/554053730.db2.gz PMBHWQNXFYQZAF-UHFFFAOYSA-N 0 0 667.568 5.815 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)CC(C)(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000098010790 554074648 /nfs/dbraw/zinc/07/46/48/554074648.db2.gz QUHUUIJMEFQQCF-UHFFFAOYSA-N 0 0 570.727 6.413 50 10 KKCARN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c(C)n2-c2ccccc2)c1 ZINC000098019620 554113518 /nfs/dbraw/zinc/11/35/18/554113518.db2.gz CQNURXXTGIJSKD-UHFFFAOYSA-N 0 0 539.592 5.359 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4ccc(C(=O)NC5CC5)cc4)n3)CC2)cc1 ZINC000036070782 554167601 /nfs/dbraw/zinc/16/76/01/554167601.db2.gz KIRPYOIBGLJSTB-UHFFFAOYSA-N 0 0 531.726 5.294 50 10 KKCARN Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000036080013 554174529 /nfs/dbraw/zinc/17/45/29/554174529.db2.gz UWWLAGMURWEMSR-DWLRCRIZSA-N 0 0 518.708 5.448 50 10 KKCARN O=C1C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000098050593 554175491 /nfs/dbraw/zinc/17/54/91/554175491.db2.gz HEEJEJQWMMOOGD-UHFFFAOYSA-N 0 0 646.728 8.468 50 10 KKCARN CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000098087002 554176614 /nfs/dbraw/zinc/17/66/14/554176614.db2.gz SWDRIOGVEUMIHS-ZHZULCJRSA-N 0 0 522.486 6.441 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000100040854 554192205 /nfs/dbraw/zinc/19/22/05/554192205.db2.gz DUJNKKCBSYNHCW-GKTLAHRSSA-N 0 0 621.528 8.097 50 10 KKCARN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000100072238 554202141 /nfs/dbraw/zinc/20/21/41/554202141.db2.gz ZHYGTHYGQNAJNX-FSGOGVSDSA-N 0 0 563.679 6.385 50 10 KKCARN CC1(C)OC(=O)C(=CC(=CNc2ccc(Br)cc2)[C@H](Nc2ccc(Br)cc2)c2ccco2)C(=O)O1 ZINC000100098995 554219599 /nfs/dbraw/zinc/21/95/99/554219599.db2.gz DXJVUZJNCQNAPM-TVXVBNPNSA-N 0 0 602.279 6.716 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)c(C)cc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)C(C)(C)C2=S)S1 ZINC000100114805 554222885 /nfs/dbraw/zinc/22/28/85/554222885.db2.gz UFIFCKRUVLAKCH-UHFFFAOYSA-N 0 0 623.605 7.517 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3cccc(C)c3)c(OC)c2)SC1=S ZINC000100198679 554246328 /nfs/dbraw/zinc/24/63/28/554246328.db2.gz JWDSFJKVTHFPOI-UYRXBGFRSA-N 0 0 555.459 5.287 50 10 KKCARN CCN1C(=O)/C(=C\c2cc(Br)c(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S ZINC000100198516 554246381 /nfs/dbraw/zinc/24/63/81/554246381.db2.gz FRACVGADHSKVPW-XDHOZWIPSA-N 0 0 524.458 5.145 50 10 KKCARN CCOc1c(Br)c(Br)c(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC ZINC000100220190 554251431 /nfs/dbraw/zinc/25/14/31/554251431.db2.gz XPOZGDMDZOVNJE-NVNXTCNLSA-N 0 0 562.180 6.444 50 10 KKCARN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000100220283 554251823 /nfs/dbraw/zinc/25/18/23/554251823.db2.gz SSLDDQIKEYTJJE-MHWRWJLKSA-N 0 0 529.275 6.025 50 10 KKCARN CCOc1cc(Br)c(Br)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000100222673 554252002 /nfs/dbraw/zinc/25/20/02/554252002.db2.gz SGXRFJWKLLIDFL-NVNXTCNLSA-N 0 0 529.275 5.717 50 10 KKCARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000100222852 554252110 /nfs/dbraw/zinc/25/21/10/554252110.db2.gz DLYRAGXRWPIIDM-UHFFFAOYSA-N 0 0 549.652 5.587 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100225421 554252987 /nfs/dbraw/zinc/25/29/87/554252987.db2.gz GRGMJEXDNCIJAH-QRVIBDJDSA-N 0 0 537.575 6.095 50 10 KKCARN CCOC(=O)c1c(/N=N/c2ccc(C)cc2)c(-c2cccs2)n2c1-c1cc(OC)c(OC)cc1CC2 ZINC000100228132 554254001 /nfs/dbraw/zinc/25/40/01/554254001.db2.gz YOYBJOLFVJPVOP-QVIHXGFCSA-N 0 0 501.608 7.357 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000100231300 554256897 /nfs/dbraw/zinc/25/68/97/554256897.db2.gz AOYNMFRPRWWSQM-CPNJWEJPSA-N 0 0 524.458 5.145 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000038141699 554265232 /nfs/dbraw/zinc/26/52/32/554265232.db2.gz KGFYWZORBYMPPZ-WMZHIEFXSA-N 0 0 530.216 5.868 50 10 KKCARN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260441 554265585 /nfs/dbraw/zinc/26/55/85/554265585.db2.gz ROTSGMCXUAUQAN-NHDPSOOVSA-N 0 0 538.880 7.766 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000100266516 554266876 /nfs/dbraw/zinc/26/68/76/554266876.db2.gz GFQFSOVQKMILJT-ATIOXMSQSA-N 0 0 567.070 7.057 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000100266512 554266943 /nfs/dbraw/zinc/26/69/43/554266943.db2.gz ODBGACWIGHOWKZ-AHPTXRJYSA-N 0 0 561.063 6.091 50 10 KKCARN CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000100266860 554267211 /nfs/dbraw/zinc/26/72/11/554267211.db2.gz XMTHAKLMTLEQKF-XYFJHVMDSA-N 0 0 577.710 6.716 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)c1 ZINC000100267445 554267484 /nfs/dbraw/zinc/26/74/84/554267484.db2.gz SRDINXOQQWOCSB-DFOFNOETSA-N 0 0 539.657 6.328 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100267618 554267637 /nfs/dbraw/zinc/26/76/37/554267637.db2.gz DVUMPQKNXVSDRU-BOJMXSMESA-N 0 0 526.574 5.877 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000100269824 554268822 /nfs/dbraw/zinc/26/88/22/554268822.db2.gz VIDZSRSVUNSYFH-KQWNVCNZSA-N 0 0 528.051 6.221 50 10 KKCARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000040221195 554283115 /nfs/dbraw/zinc/28/31/15/554283115.db2.gz YOAJHNVSDPPKIT-SLOMDMAXSA-N 0 0 521.664 5.165 50 10 KKCARN O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(I)ccc1Cl ZINC000100303682 554292200 /nfs/dbraw/zinc/29/22/00/554292200.db2.gz APVMYXDOUGZKKL-UHFFFAOYSA-N 0 0 555.224 5.956 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000100306279 554294659 /nfs/dbraw/zinc/29/46/59/554294659.db2.gz GTBHPDHTPQANHK-LMBBUSAASA-N 0 0 603.744 5.881 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000044086224 554300364 /nfs/dbraw/zinc/30/03/64/554300364.db2.gz YTCONEIRQWSOOW-UHFFFAOYSA-N 0 0 502.821 6.338 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000100310580 554300639 /nfs/dbraw/zinc/30/06/39/554300639.db2.gz LSKWZANSDMWUNO-QRVIBDJDSA-N 0 0 534.410 5.590 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000100312375 554301303 /nfs/dbraw/zinc/30/13/03/554301303.db2.gz QXHXMVRGXRIOBH-OEAKJJBVSA-N 0 0 526.477 6.438 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000100321177 554305494 /nfs/dbraw/zinc/30/54/94/554305494.db2.gz BPKRTQUTFWMAES-QRVIBDJDSA-N 0 0 595.437 5.740 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc(OC)c1OC ZINC000100323550 554307261 /nfs/dbraw/zinc/30/72/61/554307261.db2.gz XDSCDQHOAKUBDF-FMCGGJTJSA-N 0 0 585.128 6.397 50 10 KKCARN COc1ccc(Nc2cc(N3CCN(Cc4cc(Cl)ccc4OC)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254721 554330326 /nfs/dbraw/zinc/33/03/26/554330326.db2.gz PSYMILOMJUQLKQ-UHFFFAOYSA-N 0 0 581.072 6.776 50 10 KKCARN CCOc1ccc(Nc2cc(N3CCN(Cc4cc(Cl)ccc4OC)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254719 554330370 /nfs/dbraw/zinc/33/03/70/554330370.db2.gz NYUXXUFKUALICL-UHFFFAOYSA-N 0 0 595.099 7.166 50 10 KKCARN COc1ccc(Cl)cc1CN1CCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000053254723 554330417 /nfs/dbraw/zinc/33/04/17/554330417.db2.gz BJBPZUVIZXVENP-UHFFFAOYSA-N 0 0 594.115 6.833 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)SC2=S)cc1 ZINC000100345793 554330361 /nfs/dbraw/zinc/33/03/61/554330361.db2.gz RFDALPUPDXEILQ-DHRITJCHSA-N 0 0 535.687 6.231 50 10 KKCARN COc1ccc(Cl)cc1CN1CCN(c2cc(Nc3cccc(F)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000053254715 554330400 /nfs/dbraw/zinc/33/04/00/554330400.db2.gz GTCGQZUZQIRZIB-UHFFFAOYSA-N 0 0 569.036 6.906 50 10 KKCARN O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000100354533 554333988 /nfs/dbraw/zinc/33/39/88/554333988.db2.gz IEYMJJSSVGCIMT-UHFFFAOYSA-N 0 0 614.013 8.483 50 10 KKCARN CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000053319458 554338309 /nfs/dbraw/zinc/33/83/09/554338309.db2.gz JOWRPJQWPGLAHC-HKBQPEDESA-N 0 0 569.669 7.125 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363117 554345824 /nfs/dbraw/zinc/34/58/24/554345824.db2.gz CWQWMEPNDBDINV-UPVQGACJSA-N 0 0 530.260 6.538 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(OC)c(OC)c3)N2)c1O ZINC000053362987 554345855 /nfs/dbraw/zinc/34/58/55/554345855.db2.gz NTFHJXWTYCUVSM-RLWLMLJZSA-N 0 0 511.416 5.793 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363672 554345920 /nfs/dbraw/zinc/34/59/20/554345920.db2.gz JFPWYBSYYOCSKL-IFMALSPDSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363774 554346085 /nfs/dbraw/zinc/34/60/85/554346085.db2.gz XZACGKANWVRSPY-RBBKRZOGSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363740 554346113 /nfs/dbraw/zinc/34/61/13/554346113.db2.gz JBQSVYGTPABCEM-AUSIDOKSSA-N 0 0 520.210 6.413 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363726 554346142 /nfs/dbraw/zinc/34/61/42/554346142.db2.gz GNYLJVMMFAHJJY-IFMALSPDSA-N 0 0 565.103 6.902 50 10 KKCARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)cc1Br ZINC000053363932 554346443 /nfs/dbraw/zinc/34/64/43/554346443.db2.gz COUOFIUOWAZUGQ-GBXCKJPGSA-N 0 0 501.808 6.048 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Br)ccc2O)N1 ZINC000053364112 554346624 /nfs/dbraw/zinc/34/66/24/554346624.db2.gz OHJZBWPCQYHKJM-NTKDMRAZSA-N 0 0 560.242 5.877 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364147 554346681 /nfs/dbraw/zinc/34/66/81/554346681.db2.gz COWNNRCVZKUBLQ-BWKNWUBXSA-N 0 0 515.835 6.438 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000053364511 554346962 /nfs/dbraw/zinc/34/69/62/554346962.db2.gz ILURMRDPEDIQAK-IFMALSPDSA-N 0 0 583.093 7.041 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364360 554347060 /nfs/dbraw/zinc/34/70/60/554347060.db2.gz XBTOEHPNJCAMMY-VWNXMTODSA-N 0 0 532.251 6.841 50 10 KKCARN COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000100363154 554347116 /nfs/dbraw/zinc/34/71/16/554347116.db2.gz BDQSAXCQCMWFLI-LFVJCYFKSA-N 0 0 521.067 6.839 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2cccc(Br)c2)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000053364565 554347226 /nfs/dbraw/zinc/34/72/26/554347226.db2.gz FKLRUFGZGQXRQV-NZQKXSOJSA-N 0 0 550.678 6.802 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000053364549 554347244 /nfs/dbraw/zinc/34/72/44/554347244.db2.gz CQOTUWAYKFLCED-RBBKRZOGSA-N 0 0 538.642 6.932 50 10 KKCARN COc1ccc(Br)cc1[C@H]1N=C(c2cccc(Br)c2)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000053364568 554347263 /nfs/dbraw/zinc/34/72/63/554347263.db2.gz FKLRUFGZGQXRQV-REWPJTCUSA-N 0 0 550.678 6.802 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364783 554347308 /nfs/dbraw/zinc/34/73/08/554347308.db2.gz KBKYQNCKFHWGJE-URXFXBBRSA-N 0 0 530.260 6.457 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053364536 554347325 /nfs/dbraw/zinc/34/73/25/554347325.db2.gz NRGHEBWZFTYVKU-UNMCSNQZSA-N 0 0 520.652 6.793 50 10 KKCARN COc1cccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364987 554347634 /nfs/dbraw/zinc/34/76/34/554347634.db2.gz SXEUSXILOIQDNU-JTHBVZDNSA-N 0 0 534.223 6.287 50 10 KKCARN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000100365088 554350954 /nfs/dbraw/zinc/35/09/54/554350954.db2.gz UTNFGTCRSULNPJ-UFWORHAWSA-N 0 0 554.377 6.493 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000100365503 554351751 /nfs/dbraw/zinc/35/17/51/554351751.db2.gz WQOJUORHXLWJGG-SSDVNMTOSA-N 0 0 564.885 7.235 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000100414488 554378915 /nfs/dbraw/zinc/37/89/15/554378915.db2.gz MAVJYUGKUNIXSN-PFBJBMPXSA-N 0 0 584.411 6.481 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000100414461 554378953 /nfs/dbraw/zinc/37/89/53/554378953.db2.gz SVTOWKUKWKAKSV-QKDODKLFSA-N 0 0 549.966 5.827 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000100417629 554385139 /nfs/dbraw/zinc/38/51/39/554385139.db2.gz SZHOIQKBLFLKSG-SKVUXMFSSA-N 0 0 518.352 5.029 50 10 KKCARN O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000100479257 554401524 /nfs/dbraw/zinc/40/15/24/554401524.db2.gz CKCSWRLNTKQBLK-FMCGGJTJSA-N 0 0 516.560 5.912 50 10 KKCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000059826813 554432452 /nfs/dbraw/zinc/43/24/52/554432452.db2.gz PLUCAQITJQEUHC-OEAKJJBVSA-N 0 0 523.104 7.069 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100618909 554434116 /nfs/dbraw/zinc/43/41/16/554434116.db2.gz LWCUHIOBJSVVRY-ODNAJLSTSA-N 0 0 589.717 5.163 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000100642087 554436021 /nfs/dbraw/zinc/43/60/21/554436021.db2.gz ULQXJQUPYCSYEN-ADZLKVMLSA-N 0 0 557.470 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KKCARN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100660810 554438471 /nfs/dbraw/zinc/43/84/71/554438471.db2.gz ZTHOOAYERUKBKN-FQLXRVMXSA-N 0 0 520.581 6.158 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000100666693 554440220 /nfs/dbraw/zinc/44/02/20/554440220.db2.gz NLENNCIXWWHXFA-PUVTXGQCSA-N 0 0 546.571 5.595 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000100666716 554440222 /nfs/dbraw/zinc/44/02/22/554440222.db2.gz QDYXWYRJHIGKTR-UCLXRCSYSA-N 0 0 560.598 6.156 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000100710447 554453238 /nfs/dbraw/zinc/45/32/38/554453238.db2.gz MQTRDKHSBPIHTB-SMIDNAKXSA-N 0 0 526.618 5.323 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000100710469 554453282 /nfs/dbraw/zinc/45/32/82/554453282.db2.gz ZVBXAKMRFFHSMK-WNUQXASFSA-N 0 0 526.618 5.437 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100711455 554453562 /nfs/dbraw/zinc/45/35/62/554453562.db2.gz BMEFFNHLACIWAK-KUMDLULQSA-N 0 0 526.618 5.437 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000100710524 554453580 /nfs/dbraw/zinc/45/35/80/554453580.db2.gz UVCXQDAZSHZKGJ-WRLNMTLESA-N 0 0 540.645 5.713 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000100710519 554453651 /nfs/dbraw/zinc/45/36/51/554453651.db2.gz PQTWPELXOGFEPM-GGOQHOMVSA-N 0 0 535.629 5.591 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000100710545 554453655 /nfs/dbraw/zinc/45/36/55/554453655.db2.gz VQTUSDAVNLNDAP-DKTQLMGPSA-N 0 0 540.645 5.632 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100711560 554453887 /nfs/dbraw/zinc/45/38/87/554453887.db2.gz JXKDSAGTIMSUQA-MXASFQSJSA-N 0 0 532.544 5.341 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000100711728 554454183 /nfs/dbraw/zinc/45/41/83/554454183.db2.gz PGCAFQAVDVZIOU-VZOFQTSWSA-N 0 0 547.464 6.125 50 10 KKCARN COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 ZINC000100729538 554459320 /nfs/dbraw/zinc/45/93/20/554459320.db2.gz GDAAVIHZLRHWSS-ONQBAZCLSA-N 0 0 562.047 6.119 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC(=S)N1C1CCCCC1 ZINC000100756645 554467135 /nfs/dbraw/zinc/46/71/35/554467135.db2.gz FMCATSQBDFCZEJ-QQTULTPQSA-N 0 0 544.746 5.688 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000100760077 554467309 /nfs/dbraw/zinc/46/73/09/554467309.db2.gz LYKAUBBQSVDNCX-MOSHPQCFSA-N 0 0 547.649 6.291 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000100760170 554467490 /nfs/dbraw/zinc/46/74/90/554467490.db2.gz KONJVISIWJNCQK-NMTARAHESA-N 0 0 533.719 6.344 50 10 KKCARN Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000100762850 554468792 /nfs/dbraw/zinc/46/87/92/554468792.db2.gz IZKWIEQWHRXZDO-DNNAEVNTSA-N 0 0 556.669 5.306 50 10 KKCARN Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100764541 554469459 /nfs/dbraw/zinc/46/94/59/554469459.db2.gz CYBIQMKSMXONQP-FKBYEOEOSA-N 0 0 539.893 5.362 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OC(C)C ZINC000100778294 554472180 /nfs/dbraw/zinc/47/21/80/554472180.db2.gz OZSAVSNMALQQFX-USHMODERSA-N 0 0 539.726 7.079 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000100794187 554473586 /nfs/dbraw/zinc/47/35/86/554473586.db2.gz XMWUDQIVYWVSQV-MFARRGDHSA-N 0 0 546.048 6.501 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100799430 554474104 /nfs/dbraw/zinc/47/41/04/554474104.db2.gz HIAQPSPZXKMOIG-HNHDZATFSA-N 0 0 542.126 6.113 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000100799603 554474129 /nfs/dbraw/zinc/47/41/29/554474129.db2.gz GCUAGETWYSPOKQ-ULJHMMPZSA-N 0 0 532.735 5.319 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000100834231 554483121 /nfs/dbraw/zinc/48/31/21/554483121.db2.gz DUWGVCNSLMDWBG-UCQKPKSFSA-N 0 0 592.058 5.656 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1C ZINC000100836781 554483675 /nfs/dbraw/zinc/48/36/75/554483675.db2.gz BEOANNLJMCXWIC-YQYKVWLJSA-N 0 0 613.805 7.488 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OCC)cc3)C2=O)SC1=S ZINC000100837860 554484577 /nfs/dbraw/zinc/48/45/77/554484577.db2.gz NZKQZMOGGYIQFM-FJLSXJCYSA-N 0 0 551.734 5.858 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000100838065 554485123 /nfs/dbraw/zinc/48/51/23/554485123.db2.gz HTOITQQHCPGSIE-GPMZVODXSA-N 0 0 588.154 7.152 50 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Cc1cccc([C@H]2C3(O[C@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)c1 ZINC000000844587 551548052 /nfs/dbraw/zinc/54/80/52/551548052.db2.gz ZXTGUCZKBJBWOQ-MXBOTTGLSA-N 0 0 532.979 6.387 50 10 KKCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccs3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000000985140 551592490 /nfs/dbraw/zinc/59/24/90/551592490.db2.gz AIBLBEZHEJGYJA-FUFSCUOVSA-N 0 0 504.563 5.795 50 10 KKCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(F)c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000001013786 551596990 /nfs/dbraw/zinc/59/69/90/551596990.db2.gz COMYVAZBWAPFIE-MXBOTTGLSA-N 0 0 516.524 5.873 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(F)cc1 ZINC000001200259 551623281 /nfs/dbraw/zinc/62/32/81/551623281.db2.gz GIXZZMYUHKRZEO-FYBSXPHGSA-N 0 0 581.393 6.327 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(F)cc1 ZINC000001200262 551623360 /nfs/dbraw/zinc/62/33/60/551623360.db2.gz GIXZZMYUHKRZEO-SETSBSEESA-N 0 0 581.393 6.327 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000001217928 551626890 /nfs/dbraw/zinc/62/68/90/551626890.db2.gz NXOTZHFECSRORZ-IUXPMGMMSA-N 0 0 501.844 5.885 50 10 KKCARN CCOc1ccc([C@H]2C3(O[C@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001218482 551627034 /nfs/dbraw/zinc/62/70/34/551627034.db2.gz NAXLMQXYXIDFAB-WXGMZPBLSA-N 0 0 563.005 6.477 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccccc2)s1 ZINC000001247246 551632000 /nfs/dbraw/zinc/63/20/00/551632000.db2.gz JKVGQDMGQMFKNH-ZHZULCJRSA-N 0 0 514.097 6.007 50 10 KKCARN Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C/c4ccccc4Cl)SC3=S)s2)cc1 ZINC000001252274 551632670 /nfs/dbraw/zinc/63/26/70/551632670.db2.gz LLKPITWMWAVXNG-ODLFYWEKSA-N 0 0 500.070 5.536 50 10 KKCARN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000001421583 551668609 /nfs/dbraw/zinc/66/86/09/551668609.db2.gz LMPUWTMQDCNGOQ-LFVJCYFKSA-N 0 0 511.003 5.258 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000001737152 551690916 /nfs/dbraw/zinc/69/09/16/551690916.db2.gz QHIJPEBQYOUBIN-JCMHNJIXSA-N 0 0 509.077 6.761 50 10 biogenic KKCARN Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001744050 551691908 /nfs/dbraw/zinc/69/19/08/551691908.db2.gz HUSFIGJETOHCJD-STZFKDTASA-N 0 0 518.576 5.058 50 10 KKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc32)C1 ZINC000001749465 551692771 /nfs/dbraw/zinc/69/27/71/551692771.db2.gz GKKSJWFCYXMJII-HNNXBMFYSA-N 0 0 511.441 6.284 50 10 KKCARN CCN(CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000001758774 551694121 /nfs/dbraw/zinc/69/41/21/551694121.db2.gz WDQPOBPDBYIJCU-YTTGMZPUSA-N 0 0 583.696 7.233 50 10 KKCARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000001766881 551695142 /nfs/dbraw/zinc/69/51/42/551695142.db2.gz JSESACIPZVPJIA-RIYZIHGNSA-N 0 0 502.242 5.596 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc(OC)c1OC ZINC000001767162 551695472 /nfs/dbraw/zinc/69/54/72/551695472.db2.gz XDSCDQHOAKUBDF-FSJBWODESA-N 0 0 585.128 6.397 50 10 KKCARN CC[N@H+](Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001768223 551695507 /nfs/dbraw/zinc/69/55/07/551695507.db2.gz RYNYEZGLRIXEAK-UHFFFAOYSA-N 0 0 505.533 6.356 50 10 biogenic KKCARN CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000001778640 551697922 /nfs/dbraw/zinc/69/79/22/551697922.db2.gz BNOSEALNIPVEJS-GDLZYMKVSA-N 0 0 557.614 6.181 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001785340 551699595 /nfs/dbraw/zinc/69/95/95/551699595.db2.gz VLOVLBXJHQXPEU-LBFZIJHGSA-N 0 0 567.685 7.210 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccc(C)c(C)c3)C1=N2 ZINC000001796675 551702900 /nfs/dbraw/zinc/70/29/00/551702900.db2.gz KIOXBRDPJHVUNM-JGCGQSQUSA-N 0 0 551.698 7.659 50 10 KKCARN CCCC(=O)N1c2cc(C)ccc2/C(=C2/SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000001808753 551705033 /nfs/dbraw/zinc/70/50/33/551705033.db2.gz WTJVJEXWLCZGQR-QYQHSDTDSA-N 0 0 523.745 7.371 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCCC[C@@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000001811480 551706533 /nfs/dbraw/zinc/70/65/33/551706533.db2.gz KWSGHFAHHLFGSK-INIZCTEOSA-N 0 0 506.624 5.889 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000001813261 551706817 /nfs/dbraw/zinc/70/68/17/551706817.db2.gz YYMGUANTRZCFII-ULJHMMPZSA-N 0 0 573.618 5.266 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000001826238 551710155 /nfs/dbraw/zinc/71/01/55/551710155.db2.gz KTGBCVVFEIEYEJ-OLUZHXLYSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000001827115 551710363 /nfs/dbraw/zinc/71/03/63/551710363.db2.gz KZOCVMYLYHHLKB-STZFKDTASA-N 0 0 567.641 5.866 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001828219 551710585 /nfs/dbraw/zinc/71/05/85/551710585.db2.gz PZOLZTXIMPXAJR-OWHBQTKESA-N 0 0 590.075 6.982 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000001835407 551712304 /nfs/dbraw/zinc/71/23/04/551712304.db2.gz ZJGPINOMWRCVGB-PGIRIEJUSA-N 0 0 534.062 5.658 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001837127 551712670 /nfs/dbraw/zinc/71/26/70/551712670.db2.gz YARHPAXWUGVRHA-UCQKPKSFSA-N 0 0 557.549 7.804 50 10 KKCARN CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000001851650 551715592 /nfs/dbraw/zinc/71/55/92/551715592.db2.gz PNPCKAAXONGGKM-YTTGMZPUSA-N 0 0 595.707 7.219 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000001852422 551715600 /nfs/dbraw/zinc/71/56/00/551715600.db2.gz GQPTZBISIPQPAV-OLUZHXLYSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000001860495 551717120 /nfs/dbraw/zinc/71/71/20/551717120.db2.gz MUQRUCANDPOVJX-YPKYBTACSA-N 0 0 559.593 6.159 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Cl)cc1 ZINC000001873317 551720599 /nfs/dbraw/zinc/72/05/99/551720599.db2.gz GAKVJQRDTYXTBU-ZHZULCJRSA-N 0 0 554.070 6.372 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3cccc(Cl)c3)C1=N2 ZINC000001873731 551720726 /nfs/dbraw/zinc/72/07/26/551720726.db2.gz BRHUNTWQLRIJOJ-SSEXGKCCSA-N 0 0 558.089 7.695 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000001874958 551721569 /nfs/dbraw/zinc/72/15/69/551721569.db2.gz RKPXTWXRZURGIQ-OIFRRMEBSA-N 0 0 575.020 6.873 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000001876892 551722954 /nfs/dbraw/zinc/72/29/54/551722954.db2.gz DDNLMDFNYKTXIQ-OIFRRMEBSA-N 0 0 564.468 7.618 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000001879823 551724038 /nfs/dbraw/zinc/72/40/38/551724038.db2.gz RBEKTWVNFCOKNM-JGCGQSQUSA-N 0 0 551.698 7.659 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3ccc(C)cc3)C1=N2 ZINC000001885651 551725424 /nfs/dbraw/zinc/72/54/24/551725424.db2.gz FNQGQKQNWQDLLR-GDLZYMKVSA-N 0 0 589.497 7.753 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000001897328 551728715 /nfs/dbraw/zinc/72/87/15/551728715.db2.gz IMPAYYJSVJJYLX-YPKYBTACSA-N 0 0 560.049 7.055 50 10 KKCARN Cc1ccccc1N1C(=O)C(=Cc2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)N(c2ccccc2C)C1=S ZINC000001897553 551728940 /nfs/dbraw/zinc/72/89/40/551728940.db2.gz CKVLSIRUMRVJSC-UHFFFAOYSA-N 0 0 589.717 6.165 50 10 biogenic KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3ccc(C)c(Cl)c3)C1=N2 ZINC000001899189 551729828 /nfs/dbraw/zinc/72/98/28/551729828.db2.gz AYADZHHRJUUUIR-WJOKGBTCSA-N 0 0 572.116 8.004 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000001899787 551730251 /nfs/dbraw/zinc/73/02/51/551730251.db2.gz IGJPGVNAHHPVOF-RWSKJCERSA-N 0 0 570.601 6.310 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001902643 551731525 /nfs/dbraw/zinc/73/15/25/551731525.db2.gz HUKGEDYIXUMIFE-CHHVJCJISA-N 0 0 535.794 5.961 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002050650 551738579 /nfs/dbraw/zinc/73/85/79/551738579.db2.gz QUNQMUOFHWLYDE-HYARGMPZSA-N 0 0 506.561 5.619 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000002061077 551742566 /nfs/dbraw/zinc/74/25/66/551742566.db2.gz DCKOUNDOMQOFTK-KOEQRZSOSA-N 0 0 513.018 6.965 50 10 KKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000002063018 551743806 /nfs/dbraw/zinc/74/38/06/551743806.db2.gz FZOTYIBLBYCXPQ-FAJYDZGRSA-N 0 0 543.735 7.494 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002063315 551744382 /nfs/dbraw/zinc/74/43/82/551744382.db2.gz UKUUFYMHLUBJQH-ZGOFBEGVSA-N 0 0 590.543 5.277 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c(C)n1-c1ccc(C)cc1 ZINC000002083163 551752904 /nfs/dbraw/zinc/75/29/04/551752904.db2.gz ZYWPEXMMEBZYNY-UHFFFAOYSA-N 0 0 525.699 6.627 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c43)CCCC5)c2C)c1 ZINC000002083011 551752917 /nfs/dbraw/zinc/75/29/17/551752917.db2.gz CNVUAIKZZCWRFK-UHFFFAOYSA-N 0 0 549.674 5.526 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c43)CCC5)c2C)c1 ZINC000002083501 551753132 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502.444 6.857 50 10 KKCARN COc1cccc(OCCn2c(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000009730839 553302325 /nfs/dbraw/zinc/30/23/25/553302325.db2.gz ZOOJCUGNCFACAT-ITYLOYPMSA-N 0 0 500.645 6.443 50 10 KKCARN CCOC(=O)C1CCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009779790 553307382 /nfs/dbraw/zinc/30/73/82/553307382.db2.gz ZTQYBZHTNSUCTQ-UHFFFAOYSA-N 0 0 510.594 5.628 50 10 KKCARN CCOc1ccc2c(c1)S[C@@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1cc2ccccc2s1 ZINC000012247621 553355229 /nfs/dbraw/zinc/35/52/29/553355229.db2.gz MSHDTALIMFNUBE-HHHXNRCGSA-N 0 0 521.704 7.570 50 10 KKCARN Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(C)n1-c1ccccc1 ZINC000012311353 553357202 /nfs/dbraw/zinc/35/72/02/553357202.db2.gz CTIZMCLKSUOZCK-RUZDIDTESA-N 0 0 503.942 6.193 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000012363468 553359450 /nfs/dbraw/zinc/35/94/50/553359450.db2.gz WEVYZGQZDNLRBC-AQTBWJFISA-N 0 0 511.213 6.692 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 ZINC000012412748 553364162 /nfs/dbraw/zinc/36/41/62/553364162.db2.gz LJRBVEOFVKYMQE-UYRXBGFRSA-N 0 0 514.344 5.378 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000012428801 553366052 /nfs/dbraw/zinc/36/60/52/553366052.db2.gz RPGCOTYVDOZKMV-ZDLGFXPLSA-N 0 0 500.350 7.678 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1nc2ccccc2s1 ZINC000012491191 553380618 /nfs/dbraw/zinc/38/06/18/553380618.db2.gz QGCHJQALHOMSSM-ATVHPVEESA-N 0 0 505.593 5.518 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1 ZINC000012614516 553402516 /nfs/dbraw/zinc/40/25/16/553402516.db2.gz YCQGCZIABHCYQR-UQQQWYQISA-N 0 0 503.693 6.780 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1OC(C)C ZINC000012615052 553402563 /nfs/dbraw/zinc/40/25/63/553402563.db2.gz CWUFAKJSUJIGFP-TXPABSBMSA-N 0 0 516.667 5.714 50 10 KKCARN Cc1oc2cc(OC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000012618855 553403119 /nfs/dbraw/zinc/40/31/19/553403119.db2.gz ASPQXZLOKUUQJI-UHFFFAOYSA-N 0 0 504.469 5.902 50 10 KKCARN Cc1ccc(OCCSc2ccc(Cl)cc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000012629619 553405287 /nfs/dbraw/zinc/40/52/87/553405287.db2.gz ZZCRMKUVEIVGJX-JLPGSUDCSA-N 0 0 512.121 7.221 50 10 KKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)Cl)n2n1 ZINC000012955285 553429364 /nfs/dbraw/zinc/42/93/64/553429364.db2.gz NGMGMPKDNYMWPK-UHFFFAOYSA-N 0 0 522.930 7.839 50 10 KKCARN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)SC(=S)N1c1ccccc1Cl ZINC000012959234 553430298 /nfs/dbraw/zinc/43/02/98/553430298.db2.gz ARODEQGIJSNYEV-UDWIEESQSA-N 0 0 519.456 7.459 50 10 KKCARN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cn3c4ccccc4nc3C(F)(F)F)c2C)c1 ZINC000013027931 553437495 /nfs/dbraw/zinc/43/74/95/553437495.db2.gz AEENZAVITNFZFB-UHFFFAOYSA-N 0 0 501.530 5.611 50 10 KKCARN COc1cccc([C@H]2CC(c3cccs3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1O ZINC000013098519 553447168 /nfs/dbraw/zinc/44/71/68/553447168.db2.gz LJFMUZMFNPRTLK-HSZRJFAPSA-N 0 0 513.022 7.082 50 10 KKCARN COc1cccc([C@@H]2CC(c3cccs3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1O ZINC000013098518 553447198 /nfs/dbraw/zinc/44/71/98/553447198.db2.gz LJFMUZMFNPRTLK-QHCPKHFHSA-N 0 0 513.022 7.082 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000013579569 553475507 /nfs/dbraw/zinc/47/55/07/553475507.db2.gz GRVQDRSPOOYUNP-NRFANRHFSA-N 0 0 519.619 5.342 50 10 KKCARN CCCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC ZINC000013618538 553478136 /nfs/dbraw/zinc/47/81/36/553478136.db2.gz RRKFOLYBTZATJF-QJOMJCCJSA-N 0 0 523.680 5.468 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000013619020 553478149 /nfs/dbraw/zinc/47/81/49/553478149.db2.gz HCLCLNYWNOPCIJ-MYYYXRDXSA-N 0 0 515.660 6.569 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000013647203 553480013 /nfs/dbraw/zinc/48/00/13/553480013.db2.gz XHHXFJDYVKSIAZ-LCGHEVNGSA-N 0 0 526.772 5.903 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1 ZINC000013647848 553480130 /nfs/dbraw/zinc/48/01/30/553480130.db2.gz WBEBCKBFBDZWID-PLRJNAJWSA-N 0 0 521.708 6.346 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000013750817 553487942 /nfs/dbraw/zinc/48/79/42/553487942.db2.gz KNGDOQKFLOYANO-UQQQWYQISA-N 0 0 521.086 6.684 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000013750798 553487991 /nfs/dbraw/zinc/48/79/91/553487991.db2.gz UNTVQYJMYUFHOU-LIAPLOTISA-N 0 0 521.086 6.684 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 ZINC000013774460 553489587 /nfs/dbraw/zinc/48/95/87/553489587.db2.gz RJBUIIFGEYJNTE-GRSHGNNSSA-N 0 0 513.899 6.829 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCSc1ccccc1 ZINC000013786196 553490671 /nfs/dbraw/zinc/49/06/71/553490671.db2.gz QVFYCKIZWKKUEW-UAJGQANVSA-N 0 0 513.644 6.171 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000013800444 553491252 /nfs/dbraw/zinc/49/12/52/553491252.db2.gz HQKXNXOLKLNSQI-OOAXWGSJSA-N 0 0 533.763 7.746 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000013809953 553492109 /nfs/dbraw/zinc/49/21/09/553492109.db2.gz SVCCCYDSNOLCRO-PLRJNAJWSA-N 0 0 505.709 7.110 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000013810045 553492114 /nfs/dbraw/zinc/49/21/14/553492114.db2.gz UVCNNRCRBYHVSZ-DKTQLMGPSA-N 0 0 525.630 6.074 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(C)c2)SC1=S ZINC000013810063 553492177 /nfs/dbraw/zinc/49/21/77/553492177.db2.gz AFERCGBIALSIMR-XHPQRKPJSA-N 0 0 519.736 7.418 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)cc1 ZINC000013810310 553492359 /nfs/dbraw/zinc/49/23/59/553492359.db2.gz NLLYYTYCVOTMEV-XPJQHBIASA-N 0 0 518.642 6.723 50 10 KKCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000013810368 553492381 /nfs/dbraw/zinc/49/23/81/553492381.db2.gz GNSXNJZZUCKMAJ-VMTUJZNWSA-N 0 0 502.640 5.406 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C(C)C ZINC000013940431 553496270 /nfs/dbraw/zinc/49/62/70/553496270.db2.gz PTWKLEJQRGUDRO-HZHRSRAPSA-N 0 0 520.116 6.849 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000013940457 553496337 /nfs/dbraw/zinc/49/63/37/553496337.db2.gz CDSKFRVGKDOWPA-JLPGSUDCSA-N 0 0 505.014 6.619 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000013943253 553497025 /nfs/dbraw/zinc/49/70/25/553497025.db2.gz OPJJSOUCHNAVNE-ZVPJYGFCSA-N 0 0 506.628 5.435 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1F ZINC000014357822 553512650 /nfs/dbraw/zinc/51/26/50/553512650.db2.gz LTACYVKZGBKCOK-UHFFFAOYSA-N 0 0 501.514 5.793 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000015134077 553528239 /nfs/dbraw/zinc/52/82/39/553528239.db2.gz CWIVQPQXEULQCF-HJVIKEODSA-N 0 0 504.594 5.740 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1 ZINC000015944868 553543817 /nfs/dbraw/zinc/54/38/17/553543817.db2.gz GHWALBCOYDXCAN-JFNBYNEHSA-N 0 0 523.658 6.746 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3c(cccc3OC(C)=O)C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016000741 553549896 /nfs/dbraw/zinc/54/98/96/553549896.db2.gz KKYUTANGNDARIO-UPRLRBBYSA-N 0 0 521.569 5.033 50 10 KKCARN CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21 ZINC000016001512 553550078 /nfs/dbraw/zinc/55/00/78/553550078.db2.gz HACUPTYMKASUIM-JIMJEQGWSA-N 0 0 512.403 5.780 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016001544 553550095 /nfs/dbraw/zinc/55/00/95/553550095.db2.gz JGTSLLHKEPJLRG-IARZGTGTSA-N 0 0 517.606 6.073 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016006911 553550286 /nfs/dbraw/zinc/55/02/86/553550286.db2.gz KVYCUTGBNCTDJB-HZFUHODCSA-N 0 0 523.604 6.273 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016038406 553552586 /nfs/dbraw/zinc/55/25/86/553552586.db2.gz XVZXTQADKLGPSK-GSDHBNRESA-N 0 0 506.558 5.643 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2-c2ccccc2)c(OC)c1 ZINC000016531757 553567294 /nfs/dbraw/zinc/56/72/94/553567294.db2.gz BJKJNCJSPZMEFI-UHFFFAOYSA-N 0 0 516.041 6.086 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N(C)C2CCCCC2)SC1=S ZINC000016699754 553574097 /nfs/dbraw/zinc/57/40/97/553574097.db2.gz CICWXAMPHCXIRT-LSOGNMMWSA-N 0 0 504.681 5.426 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1 ZINC000016700686 553574586 /nfs/dbraw/zinc/57/45/86/553574586.db2.gz YABVHEFJMPAECL-MOHJPFBDSA-N 0 0 507.681 5.956 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)SC1=S ZINC000016730854 553576860 /nfs/dbraw/zinc/57/68/60/553576860.db2.gz CQUBIAWBUXYIPA-GYHWCHFESA-N 0 0 507.681 5.440 50 10 KKCARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)C1=O ZINC000016730858 553576891 /nfs/dbraw/zinc/57/68/91/553576891.db2.gz WNKBBXSIWVAIRK-BZZOAKBMSA-N 0 0 513.644 5.060 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016732218 553577487 /nfs/dbraw/zinc/57/74/87/553577487.db2.gz AQNHJWFMWQGQKE-MRCUWXFGSA-N 0 0 515.498 6.148 50 10 KKCARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)C1 ZINC000016733568 553578125 /nfs/dbraw/zinc/57/81/25/553578125.db2.gz ASAHMZPVJGKXLQ-SJJRUYGKSA-N 0 0 525.099 5.232 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1c1ccccc1 ZINC000016735916 553578849 /nfs/dbraw/zinc/57/88/49/553578849.db2.gz FVGMXKPOFXZFIJ-JCMHNJIXSA-N 0 0 516.479 5.659 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S ZINC000016790660 553582449 /nfs/dbraw/zinc/58/24/49/553582449.db2.gz GMGRAZLXPGWQRJ-QNGOZBTKSA-N 0 0 500.598 5.604 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000016790980 553582660 /nfs/dbraw/zinc/58/26/60/553582660.db2.gz RCIFSGBLDMSEQU-BKAYVGFPSA-N 0 0 516.065 6.154 50 10 KKCARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016790767 553582672 /nfs/dbraw/zinc/58/26/72/553582672.db2.gz VVVNZRHSLNLVRB-JXBCGPMCSA-N 0 0 518.487 6.585 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000016805267 553582891 /nfs/dbraw/zinc/58/28/91/553582891.db2.gz GSNAYIMIJCJJON-WSLHGYQHSA-N 0 0 502.064 7.155 50 10 KKCARN CCCCOc1ccc(C2=NC(=Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000017270926 553592043 /nfs/dbraw/zinc/59/20/43/553592043.db2.gz ZJQDGBXOKWQZCY-ITYLOYPMSA-N 0 0 517.423 6.665 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000017994313 553601458 /nfs/dbraw/zinc/60/14/58/553601458.db2.gz QETYVWJHHQUZBE-HKBOAZHASA-N 0 0 571.210 5.451 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000018057269 553602493 /nfs/dbraw/zinc/60/24/93/553602493.db2.gz PLSXGEHRUONGMO-SUANTXEESA-N 0 0 516.667 5.716 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]23)cc1 ZINC000018250079 553611292 /nfs/dbraw/zinc/61/12/92/553611292.db2.gz BAXZIKYVNBJHQJ-KCHLEUMXSA-N 0 0 515.565 5.658 50 10 KKCARN COc1cccc([C@@H]2C[C@@H](c3cc(Br)ccc3O)N[C@H](c3ccc(Br)cc3)N2)c1 ZINC000019330660 553613734 /nfs/dbraw/zinc/61/37/34/553613734.db2.gz XHGVQCPNPRRARP-QNWVGRARSA-N 0 0 518.249 5.990 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1 ZINC000020238845 553624391 /nfs/dbraw/zinc/62/43/91/553624391.db2.gz KEXLNPYJDQRJPL-ONADPJLJSA-N 0 0 501.524 5.170 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(NCCN1CCN(c2ccccn2)CC1)cc3N1CCCCCC1 ZINC000020322185 553637847 /nfs/dbraw/zinc/63/78/47/553637847.db2.gz DPTFBDQQERKDQV-UHFFFAOYSA-N 0 0 522.653 5.049 50 10 KKCARN O=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000020324578 553638532 /nfs/dbraw/zinc/63/85/32/553638532.db2.gz HJPJRSAOORKQOG-WQRHYEAKSA-N 0 0 511.999 7.650 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000084460176 553677192 /nfs/dbraw/zinc/67/71/92/553677192.db2.gz NMPYAHDHEAPYLY-XXBNENTESA-N 0 0 548.206 6.008 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000084460177 553677303 /nfs/dbraw/zinc/67/73/03/553677303.db2.gz NMPYAHDHEAPYLY-AUSIDOKSSA-N 0 0 548.206 6.008 50 10 KKCARN CCOC(=O)c1c(COc2ccccc2C(F)(F)F)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393660 553679707 /nfs/dbraw/zinc/67/97/07/553679707.db2.gz INOAWZRXAZDOBO-UHFFFAOYSA-N 0 0 527.543 5.782 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)cc3Cl)ccc21 ZINC000020729286 553691536 /nfs/dbraw/zinc/69/15/36/553691536.db2.gz XPLAKGLULYLPBX-UHFFFAOYSA-N 0 0 515.167 5.732 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000020730832 553691818 /nfs/dbraw/zinc/69/18/18/553691818.db2.gz NWLCWSBLHZBQBU-UHFFFAOYSA-N 0 0 529.194 6.122 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020731565 553692110 /nfs/dbraw/zinc/69/21/10/553692110.db2.gz QIERVCUWRRDZIC-UHFFFAOYSA-N 0 0 533.544 6.303 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OCC)cc3)c2C(=O)Nc2ccccc2OCC)C1 ZINC000020738265 553694890 /nfs/dbraw/zinc/69/48/90/553694890.db2.gz DIOHLJIMSAHTDS-UHFFFAOYSA-N 0 0 523.655 5.925 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(OC)c(OC)c3)N2)c1O ZINC000020763171 553696064 /nfs/dbraw/zinc/69/60/64/553696064.db2.gz NTFHJXWTYCUVSM-QFQXNSOFSA-N 0 0 511.416 5.793 50 10 KKCARN COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000020763689 553696372 /nfs/dbraw/zinc/69/63/72/553696372.db2.gz QCEDCISREFBBQL-FYYLOGMGSA-N 0 0 516.233 6.148 50 10 KKCARN COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000020763694 553696392 /nfs/dbraw/zinc/69/63/92/553696392.db2.gz QCEDCISREFBBQL-GGAORHGYSA-N 0 0 516.233 6.148 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764345 553696645 /nfs/dbraw/zinc/69/66/45/553696645.db2.gz AKFVWVYTCCVVNZ-SQJMNOBHSA-N 0 0 515.835 6.438 50 10 KKCARN COc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764596 553696734 /nfs/dbraw/zinc/69/67/34/553696734.db2.gz OWTWLCAOBBFYKB-XUZZJYLKSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3c(F)cccc3Cl)N2)c1O ZINC000020765266 553696991 /nfs/dbraw/zinc/69/69/91/553696991.db2.gz ADRIGWDKARVMIG-YKSBVNFPSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020765155 553697055 /nfs/dbraw/zinc/69/70/55/553697055.db2.gz VSGFYTWXQVOXAZ-ZJSXRUAMSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020765163 553697073 /nfs/dbraw/zinc/69/70/73/553697073.db2.gz VSGFYTWXQVOXAZ-XUZZJYLKSA-N 0 0 503.799 6.568 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000020765223 553697078 /nfs/dbraw/zinc/69/70/78/553697078.db2.gz KVYXHWZSCLDKNC-WZONZLPQSA-N 0 0 503.755 5.898 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096288114 553739238 /nfs/dbraw/zinc/73/92/38/553739238.db2.gz WNGSVLKXRKRAPG-UHFFFAOYSA-N 0 0 524.561 5.461 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)=O ZINC000096290301 553743354 /nfs/dbraw/zinc/74/33/54/553743354.db2.gz SQASKLDSESFAJJ-INIZCTEOSA-N 0 0 501.476 5.754 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290281 553743420 /nfs/dbraw/zinc/74/34/20/553743420.db2.gz GVFZWBGRDHDQEP-UHFFFAOYSA-N 0 0 526.621 5.856 50 10 KKCARN COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000096447641 553754523 /nfs/dbraw/zinc/75/45/23/553754523.db2.gz BAMWNMITUDHQHR-SSDVNMTOSA-N 0 0 501.391 6.369 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCCCOc1ccc(Cl)cc1 ZINC000097944936 553770317 /nfs/dbraw/zinc/77/03/17/553770317.db2.gz MYZDQJFPEPXLMT-HAHDFKILSA-N 0 0 602.856 6.607 50 10 KKCARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=S)N(Cc4ccco4)C3=O)c1C)CCCC2 ZINC000097944932 553770319 /nfs/dbraw/zinc/77/03/19/553770319.db2.gz ZLVMLYPLHSNPKH-MOSHPQCFSA-N 0 0 537.663 5.471 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000097946091 553776480 /nfs/dbraw/zinc/77/64/80/553776480.db2.gz IIFVFLQRLJXZIQ-UQQQWYQISA-N 0 0 620.753 6.237 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC(C)C ZINC000097946148 553776952 /nfs/dbraw/zinc/77/69/52/553776952.db2.gz CBHKSQZMUBUFSJ-VAMRJTSQSA-N 0 0 538.651 7.469 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946172 553777153 /nfs/dbraw/zinc/77/71/53/553777153.db2.gz ZSOUKXBUMIQGSN-CKWSZQMZSA-N 0 0 572.668 7.953 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097946207 553777420 /nfs/dbraw/zinc/77/74/20/553777420.db2.gz UTXPTYVZZYCICE-QQXSKIMKSA-N 0 0 632.167 5.113 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000097946192 553777494 /nfs/dbraw/zinc/77/74/94/553777494.db2.gz OUSFNLYACCSTNG-CLIDGEQKSA-N 0 0 566.705 8.333 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 ZINC000097946373 553778689 /nfs/dbraw/zinc/77/86/89/553778689.db2.gz BADHXGQJDUXMMZ-JLPGSUDCSA-N 0 0 590.727 6.146 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000097946365 553778737 /nfs/dbraw/zinc/77/87/37/553778737.db2.gz PWTTXOAYLKXBNK-ULJHMMPZSA-N 0 0 572.737 6.007 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000097946441 553779495 /nfs/dbraw/zinc/77/94/95/553779495.db2.gz ZIRXKXOHUUPZSB-MBTHVWNTSA-N 0 0 618.567 8.420 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000097946470 553779498 /nfs/dbraw/zinc/77/94/98/553779498.db2.gz KNOLIQMDHDLVSN-TVWCRUNBSA-N 0 0 622.599 7.805 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946451 553779512 /nfs/dbraw/zinc/77/95/12/553779512.db2.gz YZAJZYOBIKKEBX-FVSVTAJKSA-N 0 0 650.697 9.843 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1Cl ZINC000097946523 553779988 /nfs/dbraw/zinc/77/99/88/553779988.db2.gz LKGRTQNVDZIBSD-VPBNWZFVSA-N 0 0 546.117 7.554 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1Cl ZINC000097946558 553780308 /nfs/dbraw/zinc/78/03/08/553780308.db2.gz CWVLSVDWNUZRLB-ULJHMMPZSA-N 0 0 542.126 6.609 50 10 KKCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946624 553780772 /nfs/dbraw/zinc/78/07/72/553780772.db2.gz NBZFIVYRBRPHDB-QFEZKATASA-N 0 0 566.535 7.646 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1F ZINC000097946632 553780788 /nfs/dbraw/zinc/78/07/88/553780788.db2.gz QIOAAPRMHSXYFE-QQXSKIMKSA-N 0 0 529.662 6.787 50 10 KKCARN COc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097946986 553782682 /nfs/dbraw/zinc/78/26/82/553782682.db2.gz VTTCJPDMGXOKIX-BQKWAYIGSA-N 0 0 607.968 6.602 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O[C@@H](NC(=O)c4ccc(C)cc4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1OC ZINC000097946994 553782804 /nfs/dbraw/zinc/78/28/04/553782804.db2.gz FLBLHAUPJUILKV-ZPVURNRZSA-N 0 0 666.048 6.961 50 10 KKCARN CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097946989 553782807 /nfs/dbraw/zinc/78/28/07/553782807.db2.gz BOIBYGULDORQIN-BXBOZWQASA-N 0 0 519.859 5.282 50 10 KKCARN CCCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947014 553782809 /nfs/dbraw/zinc/78/28/09/553782809.db2.gz WQZNUHFHFMRTKE-HVUZKSCUSA-N 0 0 618.004 6.139 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br ZINC000097947063 553783297 /nfs/dbraw/zinc/78/32/97/553783297.db2.gz QUZXSPZZKVMWFE-CVHFWEDTSA-N 0 0 556.507 5.691 50 10 KKCARN CC(C)C(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947051 553783307 /nfs/dbraw/zinc/78/33/07/553783307.db2.gz QUADWLYQKHTMOF-LZOLKVDOSA-N 0 0 533.886 5.528 50 10 KKCARN 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/nfs/dbraw/zinc/79/90/98/553799098.db2.gz CUGWXXWJRBGHFB-MHZLTWQESA-N 0 0 638.477 8.542 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097951066 553806824 /nfs/dbraw/zinc/80/68/24/553806824.db2.gz LLAFHRBKUCCUFH-UHFFFAOYSA-N 0 0 530.584 5.834 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576988 553810643 /nfs/dbraw/zinc/81/06/43/553810643.db2.gz UBLCMNDKWHWZGA-BVAGGSTKSA-N 0 0 505.799 7.204 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000025581397 553811693 /nfs/dbraw/zinc/81/16/93/553811693.db2.gz XDNWOTUGRFMOEG-LPYMAVHISA-N 0 0 508.625 5.703 50 10 KKCARN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S ZINC000025581347 553811736 /nfs/dbraw/zinc/81/17/36/553811736.db2.gz YETHYHBJFDIKFA-XQNSMLJCSA-N 0 0 522.652 6.238 50 10 KKCARN O=C(COc1ccc(Cl)cc1)N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000025586264 553812190 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XCTGSSKJKKSYAB-MBVGAYPFSA-N 0 0 534.439 5.555 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000097958840 553857934 /nfs/dbraw/zinc/85/79/34/553857934.db2.gz DBXBDQHCRHOWLR-XYSKHWKFSA-N 0 0 520.973 5.734 50 10 KKCARN N=C1/C(=C\c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000097958816 553857950 /nfs/dbraw/zinc/85/79/50/553857950.db2.gz UQLMBISHVBILAT-NJPTWXMQSA-N 0 0 565.621 6.949 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097958866 553858397 /nfs/dbraw/zinc/85/83/97/553858397.db2.gz ZFELYPCFQCZLHE-YVYLCKQKSA-N 0 0 600.785 7.790 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N=C3SC(CC(C)C)=NN3C2=N)cc1OC ZINC000097958950 553859083 /nfs/dbraw/zinc/85/90/83/553859083.db2.gz WECOLLSQSPDKLI-HAGOJACLSA-N 0 0 534.682 6.332 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1 ZINC000097959056 553860414 /nfs/dbraw/zinc/86/04/14/553860414.db2.gz VNROQLQZCCQLAE-ZXVVBBHZSA-N 0 0 568.160 7.550 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1OC ZINC000097959229 553862035 /nfs/dbraw/zinc/86/20/35/553862035.db2.gz BEDKKEJUPIAYRZ-SWCLHHEDSA-N 0 0 563.035 5.482 50 10 KKCARN N=C1/C(=C\c2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000097959224 553862132 /nfs/dbraw/zinc/86/21/32/553862132.db2.gz NATPLKZDAZWSJJ-JHAVEAROSA-N 0 0 571.873 6.772 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1Cl ZINC000097959256 553862383 /nfs/dbraw/zinc/86/23/83/553862383.db2.gz PQNHOKCXEYGQNA-KOEQRZSOSA-N 0 0 574.551 7.641 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(I)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097959402 553863391 /nfs/dbraw/zinc/86/33/91/553863391.db2.gz UVHUZSSPPDQGSO-HLIJDHAKSA-N 0 0 693.007 7.309 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000097959461 553863938 /nfs/dbraw/zinc/86/39/38/553863938.db2.gz WYVSCROACPULJC-LKNPFCKWSA-N 0 0 595.508 6.826 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1F ZINC000097959835 553866422 /nfs/dbraw/zinc/86/64/22/553866422.db2.gz IWRXHXPLGZECTI-BRJLIKDPSA-N 0 0 552.693 5.862 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000097960795 553873371 /nfs/dbraw/zinc/87/33/71/553873371.db2.gz AXOGXXDONYROAQ-GIJQJNRQSA-N 0 0 607.151 6.400 50 10 KKCARN CCCN1C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)N(c2ccccc2)C1=S ZINC000097960910 553874029 /nfs/dbraw/zinc/87/40/29/553874029.db2.gz CELWCMDGNCMQSZ-ZXVVBBHZSA-N 0 0 585.523 7.135 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=N)S1 ZINC000097961914 553881705 /nfs/dbraw/zinc/88/17/05/553881705.db2.gz ADGPANDYCVSCPJ-LILNUKLZSA-N 0 0 531.407 5.595 50 10 KKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)cc3C2=O)cc1 ZINC000097961966 553881953 /nfs/dbraw/zinc/88/19/53/553881953.db2.gz SJYGSFIORRSTED-MWOVFPFUSA-N 0 0 669.701 9.823 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000097962103 553883068 /nfs/dbraw/zinc/88/30/68/553883068.db2.gz LHNBEYLZWVEBGL-OVVQPSECSA-N 0 0 540.666 6.364 50 10 KKCARN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000097962206 553883592 /nfs/dbraw/zinc/88/35/92/553883592.db2.gz HGWXTUOCFCOVNU-LHHJGKSTSA-N 0 0 537.657 6.419 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000097962628 553884597 /nfs/dbraw/zinc/88/45/97/553884597.db2.gz ZWZIECNWQWQAMI-HAHDFKILSA-N 0 0 539.451 6.518 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000097962589 553884633 /nfs/dbraw/zinc/88/46/33/553884633.db2.gz XKVNODXOOMOKEA-PYCBVSLESA-N 0 0 618.155 5.105 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)S2)cc1 ZINC000097962774 553885422 /nfs/dbraw/zinc/88/54/22/553885422.db2.gz QUWZHIPAPBHZBP-UCQKPKSFSA-N 0 0 527.415 6.648 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097962970 553886029 /nfs/dbraw/zinc/88/60/29/553886029.db2.gz RMTRRBRHGDKDKU-FLANLAGZSA-N 0 0 547.862 5.965 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CCCC4)cc1 ZINC000033040530 553893587 /nfs/dbraw/zinc/89/35/87/553893587.db2.gz CEMTZRIDMKAMJC-HHHXNRCGSA-N 0 0 517.098 7.274 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1C ZINC000033040551 553893792 /nfs/dbraw/zinc/89/37/92/553893792.db2.gz IQYMMDOCKASFAC-GDLZYMKVSA-N 0 0 510.707 7.238 50 10 KKCARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040573 553893795 /nfs/dbraw/zinc/89/37/95/553893795.db2.gz HTYQJHZGOSNTIM-LJAQVGFWSA-N 0 0 526.706 7.019 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CCCC4)cc1 ZINC000033040596 553893806 /nfs/dbraw/zinc/89/38/06/553893806.db2.gz XNIVDVXROOEIGP-HHHXNRCGSA-N 0 0 500.643 6.760 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1F ZINC000033040598 553893814 /nfs/dbraw/zinc/89/38/14/553893814.db2.gz RLINUAYNBOLSPU-NDEPHWFRSA-N 0 0 514.670 7.068 50 10 KKCARN CCn1c(=O)c(=C2Sc3ccc(Cl)cc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1cccc(Br)c1 ZINC000097964014 553895653 /nfs/dbraw/zinc/89/56/53/553895653.db2.gz FPPWENWMBHMLBE-YJZCZVOBSA-N 0 0 639.000 5.277 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000097964908 553901533 /nfs/dbraw/zinc/90/15/33/553901533.db2.gz STXMWFXAUFRIAI-WKMFJAONSA-N 0 0 553.065 5.844 50 10 KKCARN CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1OC ZINC000097964911 553901600 /nfs/dbraw/zinc/90/16/00/553901600.db2.gz FUZDJQSTCXVTDS-QWICBRKCSA-N 0 0 574.728 6.786 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2Br)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965203 553903592 /nfs/dbraw/zinc/90/35/92/553903592.db2.gz XXRNAIWQMCXRLV-XHZLXIKUSA-N 0 0 557.536 7.018 50 10 KKCARN NC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3c3ccccc3)o2)cc1 ZINC000097965431 553904520 /nfs/dbraw/zinc/90/45/20/553904520.db2.gz FVMZEBCMPNSTCG-ZHZULCJRSA-N 0 0 536.802 6.840 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(C)ccc3N(C(=O)c3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097965944 553906495 /nfs/dbraw/zinc/90/64/95/553906495.db2.gz XSZZPCQYNXDNQQ-UHFFFAOYSA-N 0 0 603.787 7.444 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C3=N)S2)cc1 ZINC000097966224 553907657 /nfs/dbraw/zinc/90/76/57/553907657.db2.gz OYTWDMPGFLDARE-MTWPPNFTSA-N 0 0 521.429 6.548 50 10 KKCARN O=C1/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc2N1Cc1ccccc1 ZINC000097966583 553909221 /nfs/dbraw/zinc/90/92/21/553909221.db2.gz ZYPLDCHWJWPFTM-BWAHOGKJSA-N 0 0 595.440 6.137 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266838 553917606 /nfs/dbraw/zinc/91/76/06/553917606.db2.gz CFKUHDKKFXZRQS-LJAQVGFWSA-N 0 0 520.612 6.314 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N(C)C2=S)cc1 ZINC000033334198 553921577 /nfs/dbraw/zinc/92/15/77/553921577.db2.gz LPAMEUDZTGSNFS-IWIPYMOSSA-N 0 0 500.023 5.825 50 10 KKCARN CCCC(=O)N1c2ccccc2/C(=C2\SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000033347485 553921789 /nfs/dbraw/zinc/92/17/89/553921789.db2.gz OQUFEZWXAWKYMV-YYADALCUSA-N 0 0 509.718 7.062 50 10 KKCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033347636 553921926 /nfs/dbraw/zinc/92/19/26/553921926.db2.gz VYGNCSJZFNOINU-VEILYXNESA-N 0 0 523.633 6.598 50 10 KKCARN Cc1c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000033348426 553922176 /nfs/dbraw/zinc/92/21/76/553922176.db2.gz AIXRGMFAOJWJHU-OYKKKHCWSA-N 0 0 518.386 5.993 50 10 KKCARN O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000033353193 553923479 /nfs/dbraw/zinc/92/34/79/553923479.db2.gz AMGYULGBZQVLEE-KEBDBYFISA-N 0 0 513.940 6.355 50 10 KKCARN N=C1/C(=C/c2cccn2CCOc2ccccc2Cl)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000033353722 553926828 /nfs/dbraw/zinc/92/68/28/553926828.db2.gz MFRZKXZGTPRQHV-JBISNPTNSA-N 0 0 522.055 5.731 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Br)cc1 ZINC000033355280 553933967 /nfs/dbraw/zinc/93/39/67/553933967.db2.gz KLYBIUZHJWOXQZ-XLGIIRLISA-N 0 0 522.826 6.969 50 10 KKCARN CCCCCC(=O)N1c2ccc(OC)cc2/C(=C2/SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000097968837 553934611 /nfs/dbraw/zinc/93/46/11/553934611.db2.gz LXASEDYNDQKQBU-OLFWJLLRSA-N 0 0 567.798 7.851 50 10 KKCARN Cc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097968897 553934895 /nfs/dbraw/zinc/93/48/95/553934895.db2.gz VKGBPIIUVQKXGT-QAHUDSGCSA-N 0 0 605.996 6.944 50 10 KKCARN O=C1C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000033358233 553953941 /nfs/dbraw/zinc/95/39/41/553953941.db2.gz LGZLIUDJNWEKHA-UHFFFAOYSA-N 0 0 630.660 8.303 50 10 KKCARN O=C(c1ccccc1)c1cc(Cl)ccc1N[C@H](O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000033358603 553957127 /nfs/dbraw/zinc/95/71/27/553957127.db2.gz OXHXBWLHGWRMRA-ISJBWFOZSA-N 0 0 605.842 7.293 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C2=N)S1 ZINC000033622775 553964637 /nfs/dbraw/zinc/96/46/37/553964637.db2.gz KOPSSOAIITYNFT-USJZFIOISA-N 0 0 500.024 5.574 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033634328 553965410 /nfs/dbraw/zinc/96/54/10/553965410.db2.gz XKISLGIZBXJDDO-FUMQJTLXSA-N 0 0 519.881 7.583 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000033663905 553966811 /nfs/dbraw/zinc/96/68/11/553966811.db2.gz TYSRJXGLILMRKZ-LFVJCYFKSA-N 0 0 518.660 6.125 50 10 KKCARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000097976825 553973106 /nfs/dbraw/zinc/97/31/06/553973106.db2.gz OMWMBIVCFGKMJY-UHFFFAOYSA-N 0 0 652.662 7.409 50 10 KKCARN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000033920766 553976498 /nfs/dbraw/zinc/97/64/98/553976498.db2.gz SVCCCYDSNOLCRO-NCELDCMTSA-N 0 0 505.709 7.110 50 10 KKCARN Cc1cc(C(=O)CSC2=NC(=Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000097979126 553976679 /nfs/dbraw/zinc/97/66/79/553976679.db2.gz LXRUEXWWSLJOJO-UCMJSZAQSA-N 0 0 575.778 8.503 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000033938979 553979828 /nfs/dbraw/zinc/97/98/28/553979828.db2.gz RDZPSXIKZPEMSM-UYQLFUIGSA-N 0 0 513.085 6.909 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2cccc4ccccc42)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979968 553983856 /nfs/dbraw/zinc/98/38/56/553983856.db2.gz MLSCMJTXUQHZHN-NVBNWZFSSA-N 0 0 558.726 7.174 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000097983853 554012399 /nfs/dbraw/zinc/01/23/99/554012399.db2.gz 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ZINC000097999817 554046201 /nfs/dbraw/zinc/04/62/01/554046201.db2.gz FBHXAVAQDUDYDI-AJQTZOPKSA-N 0 0 811.413 8.125 50 10 KKCARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)c2C)CC1 ZINC000035518472 554057661 /nfs/dbraw/zinc/05/76/61/554057661.db2.gz ICLLOQNFRSEEJB-UHFFFAOYSA-N 0 0 504.005 6.216 50 10 KKCARN CC(C)COP(=O)(OCC(C)C)c1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(O)c1O ZINC000098006104 554060485 /nfs/dbraw/zinc/06/04/85/554060485.db2.gz NGYMAZHTTBGUAW-UHFFFAOYSA-N 0 0 544.628 7.644 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)c(C)n2-c2ccc(F)cc2F)cc1 ZINC000035829086 554079325 /nfs/dbraw/zinc/07/93/25/554079325.db2.gz MABJWOMDOCWEHA-UHFFFAOYSA-N 0 0 521.995 6.355 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000035830058 554079869 /nfs/dbraw/zinc/07/98/69/554079869.db2.gz VIWWJJDEFLWBQG-IDZRBWSNSA-N 0 0 511.577 6.012 50 10 KKCARN Cc1c(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000035836646 554080150 /nfs/dbraw/zinc/08/01/50/554080150.db2.gz FLLMIGJGKLDZQN-UHFFFAOYSA-N 0 0 512.541 5.098 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035843326 554081969 /nfs/dbraw/zinc/08/19/69/554081969.db2.gz ZKYGPOIROPBBEM-NLDZOOGBSA-N 0 0 515.996 6.656 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035844042 554082466 /nfs/dbraw/zinc/08/24/66/554082466.db2.gz SRVVVALPRGEYOQ-PFBJBMPXSA-N 0 0 510.033 6.697 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035851626 554083451 /nfs/dbraw/zinc/08/34/51/554083451.db2.gz XFMJYAPNTXOZSS-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)NCC(C)C)c4)n3)CC2)cc1 ZINC000098015404 554098783 /nfs/dbraw/zinc/09/87/83/554098783.db2.gz IYGMJQCQOOUSDD-UHFFFAOYSA-N 0 0 547.769 5.787 50 10 KKCARN COc1ccccc1-n1c(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1-c1ccc(Cl)cc1 ZINC000098016588 554102344 /nfs/dbraw/zinc/10/23/44/554102344.db2.gz DNSNOKDBROUNCA-UHFFFAOYSA-N 0 0 531.012 5.985 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CSc4nnc(-c5ccco5)n4-c4ccccc4F)n3)CC2)cc1 ZINC000098017584 554109078 /nfs/dbraw/zinc/10/90/78/554109078.db2.gz GGYFKLMQDHYQDE-UHFFFAOYSA-N 0 0 576.679 5.386 50 10 KKCARN CCCCCCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C4CCC(CCCCC)CC4)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000098044990 554130015 /nfs/dbraw/zinc/13/00/15/554130015.db2.gz ZENWFEVHNHHLNR-UHFFFAOYSA-N 0 0 682.905 10.944 50 10 KKCARN COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000098045088 554130607 /nfs/dbraw/zinc/13/06/07/554130607.db2.gz KLVIFNFTZLMKCG-UHFFFAOYSA-N 0 0 586.422 6.278 50 10 KKCARN CCCCCCNc1ccc(NC(=O)c2ccc(C3CCC(CCCCC)CC3)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000098045169 554130856 /nfs/dbraw/zinc/13/08/56/554130856.db2.gz XCIBMXQFNUJFDP-UHFFFAOYSA-N 0 0 578.797 9.561 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)cc1 ZINC000098047138 554147088 /nfs/dbraw/zinc/14/70/88/554147088.db2.gz QHJRLWHYLOHDLX-UHFFFAOYSA-N 0 0 540.465 6.185 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@H]3C2)cc1 ZINC000036056324 554159859 /nfs/dbraw/zinc/15/98/59/554159859.db2.gz UWUPDEOBNQWGSH-PXJZQJOASA-N 0 0 501.030 5.317 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccccc1 ZINC000098048829 554162107 /nfs/dbraw/zinc/16/21/07/554162107.db2.gz MWUMABFFXNCEIA-QCDSWUKFSA-N 0 0 610.403 6.030 50 10 KKCARN CCNC(=O)c1cccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(C)(C)C)n2)c1 ZINC000036070831 554167586 /nfs/dbraw/zinc/16/75/86/554167586.db2.gz LFUYBSXXSXCIHC-UHFFFAOYSA-N 0 0 519.715 5.151 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000036080011 554174394 /nfs/dbraw/zinc/17/43/94/554174394.db2.gz XHHXFJDYVKSIAZ-YLUNRYLYSA-N 0 0 526.772 5.903 50 10 KKCARN 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BBSWNSMHKPGZCP-FQEVSTJZSA-N 0 0 519.708 5.418 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000100188446 554243647 /nfs/dbraw/zinc/24/36/47/554243647.db2.gz HWOULGOXVOFJSB-VULFUBBASA-N 0 0 557.568 7.820 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)C ZINC000037423673 554243706 /nfs/dbraw/zinc/24/37/06/554243706.db2.gz APDIDEGPNCAQTL-NRFANRHFSA-N 0 0 504.693 5.482 50 10 KKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000100228210 554253985 /nfs/dbraw/zinc/25/39/85/554253985.db2.gz IBVAGMXGZJWMAK-NDENLUEZSA-N 0 0 547.439 5.911 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100229369 554255038 /nfs/dbraw/zinc/25/50/38/554255038.db2.gz YBQSFTLWJKECJK-OOAXWGSJSA-N 0 0 535.687 6.274 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](NC(=O)CC)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000100241640 554260792 /nfs/dbraw/zinc/26/07/92/554260792.db2.gz SNIQGGJEYLXXHS-USUABIMMSA-N 0 0 559.924 6.092 50 10 KKCARN CN(C)c1ccc(/C=C2\SC(=O)N(C[C@H](O)Cn3c4ccc(Cl)cc4c4cc(Cl)ccc43)C2=O)cc1 ZINC000100253039 554263504 /nfs/dbraw/zinc/26/35/04/554263504.db2.gz GAPBNWWKAXXVHI-VGHSNCDSSA-N 0 0 540.472 6.265 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000100266684 554267141 /nfs/dbraw/zinc/26/71/41/554267141.db2.gz YJNZCZAMCZYJRL-WFJZUQIDSA-N 0 0 555.418 6.388 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100268440 554268211 /nfs/dbraw/zinc/26/82/11/554268211.db2.gz POIWVBLTJFOJHY-HFEQGAJRSA-N 0 0 560.598 6.022 50 10 KKCARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100269654 554268901 /nfs/dbraw/zinc/26/89/01/554268901.db2.gz RIIBIVRAOWMEKS-UYRXBGFRSA-N 0 0 569.486 5.544 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000100272701 554270306 /nfs/dbraw/zinc/27/03/06/554270306.db2.gz ABNZJZUWSBVMRP-UODPVWABSA-N 0 0 575.090 6.399 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(OC)c3N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(C)(C)C2=S)S1 ZINC000100278298 554276418 /nfs/dbraw/zinc/27/64/18/554276418.db2.gz ROJUIWIFEMRBAX-SDNWHVSQSA-N 0 0 612.707 5.518 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1Br ZINC000100286030 554280168 /nfs/dbraw/zinc/28/01/68/554280168.db2.gz YXYXAYFVXBZNKF-PTGBLXJZSA-N 0 0 523.430 7.673 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000039944182 554281293 /nfs/dbraw/zinc/28/12/93/554281293.db2.gz KCAQYHUNBVXJSK-IPCAQAEESA-N 0 0 518.708 5.153 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)cc1OC ZINC000100308650 554297602 /nfs/dbraw/zinc/29/76/02/554297602.db2.gz IIYAAYUZFHMAHR-NLRVBDNBSA-N 0 0 527.671 6.000 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000044086370 554300272 /nfs/dbraw/zinc/30/02/72/554300272.db2.gz KBYBNFIITNMPDH-UHFFFAOYSA-N 0 0 502.854 7.289 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000100317796 554303575 /nfs/dbraw/zinc/30/35/75/554303575.db2.gz KGFYPEJEPYMTDX-WSDLNYQXSA-N 0 0 589.920 6.534 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000100321167 554305531 /nfs/dbraw/zinc/30/55/31/554305531.db2.gz QOFZJYPSWIPFCY-SSDVNMTOSA-N 0 0 602.407 6.609 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000100321254 554305768 /nfs/dbraw/zinc/30/57/68/554305768.db2.gz PXPBWWIZQDLPJK-MTJSOVHGSA-N 0 0 565.380 5.190 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100325594 554309367 /nfs/dbraw/zinc/30/93/67/554309367.db2.gz ASXSOJJQRFOSHD-YDZHTSKRSA-N 0 0 574.949 7.713 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)cc1C ZINC000100325955 554310098 /nfs/dbraw/zinc/31/00/98/554310098.db2.gz BARYVIIFSCJATA-BRJLIKDPSA-N 0 0 523.510 8.019 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100327519 554310632 /nfs/dbraw/zinc/31/06/32/554310632.db2.gz FEFJSMAADUYCRO-LSFURLLWSA-N 0 0 609.882 7.143 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000100327378 554310655 /nfs/dbraw/zinc/31/06/55/554310655.db2.gz LWMMXNRXYMUAIQ-SRZZPIQSSA-N 0 0 549.482 7.467 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)SC1=S ZINC000100339192 554324044 /nfs/dbraw/zinc/32/40/44/554324044.db2.gz FXDUWKFFNNAOMS-FSJBWODESA-N 0 0 587.473 6.359 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000100339221 554324104 /nfs/dbraw/zinc/32/41/04/554324104.db2.gz DVENIDVPDJFPHL-YZSQISJMSA-N 0 0 547.702 5.883 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100340430 554324839 /nfs/dbraw/zinc/32/48/39/554324839.db2.gz UGGKRAYUQOZTST-OEAKJJBVSA-N 0 0 546.497 7.386 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000100340314 554324925 /nfs/dbraw/zinc/32/49/25/554324925.db2.gz YDZMZZJQBWUTTF-DHRITJCHSA-N 0 0 577.728 5.162 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000053363435 554345763 /nfs/dbraw/zinc/34/57/63/554345763.db2.gz JRHNXWLRPQAIFU-QPPBQGQZSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363683 554345766 /nfs/dbraw/zinc/34/57/66/554345766.db2.gz JAKOTBZEDNFTNQ-IFMALSPDSA-N 0 0 555.097 7.447 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000053363433 554345890 /nfs/dbraw/zinc/34/58/90/554345890.db2.gz JRHNXWLRPQAIFU-XUZZJYLKSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363736 554346054 /nfs/dbraw/zinc/34/60/54/554346054.db2.gz GNYLJVMMFAHJJY-UNMCSNQZSA-N 0 0 565.103 6.902 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363733 554346064 /nfs/dbraw/zinc/34/60/64/554346064.db2.gz GNYLJVMMFAHJJY-RBBKRZOGSA-N 0 0 565.103 6.902 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364099 554346454 /nfs/dbraw/zinc/34/64/54/554346454.db2.gz SAHGCGVIBHSMCZ-URXFXBBRSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363928 554346529 /nfs/dbraw/zinc/34/65/29/554346529.db2.gz QCEVUZMPGRDYOK-FNZWTVRRSA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364260 554346704 /nfs/dbraw/zinc/34/67/04/554346704.db2.gz XYMOEABBDSOVRG-RCZVLFRGSA-N 0 0 509.400 5.563 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000053364117 554346714 /nfs/dbraw/zinc/34/67/14/554346714.db2.gz OHJZBWPCQYHKJM-YADARESESA-N 0 0 560.242 5.877 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364193 554346727 /nfs/dbraw/zinc/34/67/27/554346727.db2.gz ZTLNSIYGXLWTGL-BKMJKUGQSA-N 0 0 511.416 5.793 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2cccc(Br)c2)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000053364558 554347390 /nfs/dbraw/zinc/34/73/90/554347390.db2.gz FKLRUFGZGQXRQV-NFBKMPQASA-N 0 0 550.678 6.802 50 10 KKCARN COc1cccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364967 554347628 /nfs/dbraw/zinc/34/76/28/554347628.db2.gz ZAPDWRHVIOUGAZ-ZJSXRUAMSA-N 0 0 546.259 6.157 50 10 KKCARN O=C1/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100406796 554373837 /nfs/dbraw/zinc/37/38/37/554373837.db2.gz FIYRNKRGWCXXQI-SRZZPIQSSA-N 0 0 584.866 8.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000100414870 554379979 /nfs/dbraw/zinc/37/99/79/554379979.db2.gz PNMCHUFEKRJOPX-ZVDOUQERSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000100414881 554380347 /nfs/dbraw/zinc/38/03/47/554380347.db2.gz XESVDMRVXFHPCN-ZVDOUQERSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415386 554381514 /nfs/dbraw/zinc/38/15/14/554381514.db2.gz IYQTVQXGMVBYEC-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000100415462 554381521 /nfs/dbraw/zinc/38/15/21/554381521.db2.gz PAEZAUXQWQKQKJ-QHAWAJNXSA-N 0 0 525.866 5.054 50 10 KKCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100415523 554381694 /nfs/dbraw/zinc/38/16/94/554381694.db2.gz JZOIVSPAXVUOLB-FDFHNCONSA-N 0 0 550.792 5.106 50 10 KKCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Cl)cc1Cl)OC21C(=O)c2ccccc2C1=O ZINC000100415622 554381792 /nfs/dbraw/zinc/38/17/92/554381792.db2.gz WTVXAUUZHDFMAO-FKBYEOEOSA-N 0 0 540.786 5.650 50 10 KKCARN O=C1C=Cc2ccccc2C1=NNc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000100460590 554397759 /nfs/dbraw/zinc/39/77/59/554397759.db2.gz HGQDGYLSFOXAFW-NVQSTNCTSA-N 0 0 514.990 8.239 50 10 KKCARN COc1ccc(N2CCN(CCNC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)CC2)cc1 ZINC000059503803 554400150 /nfs/dbraw/zinc/40/01/50/554400150.db2.gz CDKNRQUEKXOSPP-UHFFFAOYSA-N 0 0 507.059 5.177 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000059503903 554400364 /nfs/dbraw/zinc/40/03/64/554400364.db2.gz DVPRWLYYKMFYMT-AJQTZOPKSA-N 0 0 553.703 5.666 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc(Cl)c(OC)cc5OC)c(C)c43)CC2)cc1 ZINC000059522005 554403357 /nfs/dbraw/zinc/40/33/57/554403357.db2.gz UJSOGQDUYYOQDC-UHFFFAOYSA-N 0 0 554.072 5.258 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000100540962 554413130 /nfs/dbraw/zinc/41/31/30/554413130.db2.gz UDPFVAQIIYROCQ-BOPFTXTBSA-N 0 0 531.160 6.186 50 10 KKCARN CC1=C(c2ccccc2)c2cc(Br)ccc2N[C@H]1Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000100555855 554416047 /nfs/dbraw/zinc/41/60/47/554416047.db2.gz TZLQSFLJERVYLQ-LJAQVGFWSA-N 0 0 574.316 8.128 50 10 KKCARN COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000059646011 554416893 /nfs/dbraw/zinc/41/68/93/554416893.db2.gz LQQIXQDMWOHGAZ-WZOHSFFVSA-N 0 0 530.568 6.350 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)C2=O)cc1OC ZINC000059821644 554431425 /nfs/dbraw/zinc/43/14/25/554431425.db2.gz HIZNFCKLKORJSV-HMAPJEAMSA-N 0 0 584.701 5.279 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000100642086 554435981 /nfs/dbraw/zinc/43/59/81/554435981.db2.gz DSSJHSLZLVWUMO-KRKDOYDSSA-N 0 0 543.443 5.253 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000100642100 554435986 /nfs/dbraw/zinc/43/59/86/554435986.db2.gz NIEXFYRXESPFHC-PEYOBPGZSA-N 0 0 604.470 5.404 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000100642191 554436258 /nfs/dbraw/zinc/43/62/58/554436258.db2.gz WWKPACYKERWCHY-RTBIWORYSA-N 0 0 543.443 5.253 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C2=N)S1 ZINC000100642208 554436261 /nfs/dbraw/zinc/43/62/61/554436261.db2.gz SIWLMOVKRQLDCD-XQWBAOJFSA-N 0 0 618.497 5.658 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC ZINC000100642158 554436264 /nfs/dbraw/zinc/43/62/64/554436264.db2.gz ANTNJTKUIJMZBM-LDXXCKMXSA-N 0 0 573.469 5.343 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC ZINC000100642154 554436309 /nfs/dbraw/zinc/43/63/09/554436309.db2.gz BITADKIGTGGEPH-LDXXCKMXSA-N 0 0 529.018 5.234 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N(C)Cc3ccccc3)nc12 ZINC000100642413 554436610 /nfs/dbraw/zinc/43/66/10/554436610.db2.gz VWHQYRDYYQDORV-JJWXFRNXSA-N 0 0 526.687 5.602 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5c(F)cc(F)cc5Br)c(C)c43)CC2)cc1 ZINC000100664736 554439686 /nfs/dbraw/zinc/43/96/86/554439686.db2.gz QZFSIZGVWREODG-UHFFFAOYSA-N 0 0 574.451 5.628 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100666774 554440189 /nfs/dbraw/zinc/44/01/89/554440189.db2.gz WSIIWEHHWGVHLB-DVSMDLNCSA-N 0 0 583.386 5.405 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000100666724 554440200 /nfs/dbraw/zinc/44/02/00/554440200.db2.gz DELQHDPHXBWWFR-WRRUJWGCSA-N 0 0 560.598 6.238 50 10 KKCARN N=C1/C(=C/c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000100666759 554440225 /nfs/dbraw/zinc/44/02/25/554440225.db2.gz UQLMBISHVBILAT-SAHCVWFQSA-N 0 0 565.621 6.949 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc21 ZINC000100672953 554441883 /nfs/dbraw/zinc/44/18/83/554441883.db2.gz DBTOHVFAALNFHP-CKHCIWTKSA-N 0 0 556.047 6.050 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2OC)c1 ZINC000100672947 554442045 /nfs/dbraw/zinc/44/20/45/554442045.db2.gz HRQNIWYGCMFMIK-IRCMEVCOSA-N 0 0 546.693 6.223 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000100703082 554452475 /nfs/dbraw/zinc/45/24/75/554452475.db2.gz WAUXDRMTPJUKAE-KNQAVFIVSA-N 0 0 534.635 6.813 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000100711549 554453845 /nfs/dbraw/zinc/45/38/45/554453845.db2.gz BRKLTWHSKPXGQK-MXASFQSJSA-N 0 0 532.544 5.341 50 10 KKCARN N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000100711594 554453857 /nfs/dbraw/zinc/45/38/57/554453857.db2.gz OIQOXVNCDPYHFI-YHMNYDHASA-N 0 0 533.009 5.496 50 10 KKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccc(OCCOc4ccc(Br)cc4)c3)C2=N)S1 ZINC000100711517 554453866 /nfs/dbraw/zinc/45/38/66/554453866.db2.gz QGQNZXAASTYYMI-NKFJNAIASA-N 0 0 527.444 5.572 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000100711590 554453928 /nfs/dbraw/zinc/45/39/28/554453928.db2.gz HVTWJVAQVIVIQG-DNDPOFFESA-N 0 0 533.009 5.474 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000100711657 554454122 /nfs/dbraw/zinc/45/41/22/554454122.db2.gz VDBRMCAVKFNVGU-QJSMOPQASA-N 0 0 541.073 6.089 50 10 KKCARN O=C1C[C@@H](N2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712942 554454542 /nfs/dbraw/zinc/45/45/42/554454542.db2.gz JPQHVXKLYCTUGK-RNRZBRGRSA-N 0 0 533.426 5.480 50 10 KKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000100727451 554457761 /nfs/dbraw/zinc/45/77/61/554457761.db2.gz BAPQQOQUFUHILI-NZQKXSOJSA-N 0 0 530.216 6.168 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100746224 554464779 /nfs/dbraw/zinc/46/47/79/554464779.db2.gz FOJMUDQINUNDST-ZGOFBEGVSA-N 0 0 562.091 5.086 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000100753199 554466721 /nfs/dbraw/zinc/46/67/21/554466721.db2.gz RLHRWIMJCUFLSY-ZABLMZMLSA-N 0 0 546.048 6.501 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100766780 554470275 /nfs/dbraw/zinc/47/02/75/554470275.db2.gz OPQILCNWCCWUSH-DSFVGLBSSA-N 0 0 550.467 7.275 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000100768971 554470581 /nfs/dbraw/zinc/47/05/81/554470581.db2.gz IKYOUPRHHRIYER-RRAHZORUSA-N 0 0 547.790 8.054 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000100770916 554471070 /nfs/dbraw/zinc/47/10/70/554471070.db2.gz ZHIWQEZDBFEMGZ-BKUYFWCQSA-N 0 0 528.124 6.316 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)cc1 ZINC000100797417 554473900 /nfs/dbraw/zinc/47/39/00/554473900.db2.gz NWMXPOYFFHZEBP-PDGQHHTCSA-N 0 0 522.433 5.220 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000100837983 554484934 /nfs/dbraw/zinc/48/49/34/554484934.db2.gz YRSPOGJCNFDKPO-OSYJHYBZSA-N 0 0 622.193 6.160 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1OCCC(C)C ZINC000100838589 554486176 /nfs/dbraw/zinc/48/61/76/554486176.db2.gz MYRUFXRRKZOWKR-WFZBXURCSA-N 0 0 544.721 6.352 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C1CCCC1 ZINC000100838526 554486200 /nfs/dbraw/zinc/48/62/00/554486200.db2.gz INSTZWKOQACBNE-VEILYXNESA-N 0 0 572.155 7.916 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C ZINC000100838590 554486255 /nfs/dbraw/zinc/48/62/55/554486255.db2.gz MYRUFXRRKZOWKR-LIFFMEMSSA-N 0 0 544.721 6.352 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000100838910 554486718 /nfs/dbraw/zinc/48/67/18/554486718.db2.gz BCKTULGZHDGCLS-QRQIAZFYSA-N 0 0 584.122 7.766 50 10 KKCARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000100839864 554487993 /nfs/dbraw/zinc/48/79/93/554487993.db2.gz JZWFSJWDTRWLBR-GREHKBSCSA-N 0 0 571.680 5.181 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000100840489 554489068 /nfs/dbraw/zinc/48/90/68/554489068.db2.gz ZMTYDVCRQHRESI-PGOXGVTESA-N 0 0 533.719 6.407 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 ZINC000100856978 554493653 /nfs/dbraw/zinc/49/36/53/554493653.db2.gz YBDKVWGRYDHSQR-XDJHFCHBSA-N 0 0 548.777 6.265 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000100870812 554498147 /nfs/dbraw/zinc/49/81/47/554498147.db2.gz QXWVZFZZGFMWFK-IMRQLAEWSA-N 0 0 543.689 7.259 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871262 554498420 /nfs/dbraw/zinc/49/84/20/554498420.db2.gz GARJDIOTXYNEGZ-FBTHGLLTSA-N 0 0 536.635 5.226 50 10 KKCARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)cc1 ZINC000100871310 554498691 /nfs/dbraw/zinc/49/86/91/554498691.db2.gz MEGREXVLTRJNLN-IZHYLOQSSA-N 0 0 592.098 5.274 50 10 KKCARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)C2=O)c1 ZINC000100871633 554499652 /nfs/dbraw/zinc/49/96/52/554499652.db2.gz YOSHGZCQAYNENL-QPLCGJKRSA-N 0 0 527.671 5.103 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccccc4Cl)C3=O)SC2=S)cc1 ZINC000100872082 554500458 /nfs/dbraw/zinc/50/04/58/554500458.db2.gz OOWCPXDZMAFAHG-VHXPQNKSSA-N 0 0 550.061 5.106 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)SC1=S ZINC000100872208 554500545 /nfs/dbraw/zinc/50/05/45/554500545.db2.gz KSDUIMAJNSFLKM-ZLWNKQBNSA-N 0 0 535.735 6.077 50 10 KKCARN Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)c1 ZINC000100872217 554500790 /nfs/dbraw/zinc/50/07/90/554500790.db2.gz HYUMGFFIZZVYGP-IZHYLOQSSA-N 0 0 548.089 5.714 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4cc(Br)ccc4N(Cc4ccccc4)C3=O)SC2=S)cc1 ZINC000100893046 554512640 /nfs/dbraw/zinc/51/26/40/554512640.db2.gz NDAZRCLKSMVMIU-VHXPQNKSSA-N 0 0 565.514 5.819 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000100894688 554513754 /nfs/dbraw/zinc/51/37/54/554513754.db2.gz QROUYSPRLLANET-RRFFURKPSA-N 0 0 540.110 6.362 50 10 KKCARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccc(N(C)C)cc4)nn3c2NC(C)(C)C)cc1 ZINC000064703803 554513936 /nfs/dbraw/zinc/51/39/36/554513936.db2.gz URHQRNTXAYQASC-UHFFFAOYSA-N 0 0 519.719 5.049 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000100895998 554514102 /nfs/dbraw/zinc/51/41/02/554514102.db2.gz PZZJQKRKOKNJKJ-QFEZKATASA-N 0 0 527.627 5.678 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OCc4ccc([N+](=O)[O-])cc4)S3)CC2)cc1Cl ZINC000100927204 554524793 /nfs/dbraw/zinc/52/47/93/554524793.db2.gz RFDJLBWUGKLJOS-WGOQTCKBSA-N 0 0 549.052 5.928 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000100930285 554526851 /nfs/dbraw/zinc/52/68/51/554526851.db2.gz YWABKNJYDYSMMK-XMMPIXPASA-N 0 0 600.741 5.322 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4cccc(OC)c4)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000100930271 554526855 /nfs/dbraw/zinc/52/68/55/554526855.db2.gz YKFYCDVPNSLHLJ-DEOSSOPVSA-N 0 0 600.741 5.322 50 10 KKCARN Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl ZINC000100935740 554529426 /nfs/dbraw/zinc/52/94/26/554529426.db2.gz HLYVKWDRCCSADW-ATASTKJTSA-N 0 0 532.025 5.477 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000100937968 554531367 /nfs/dbraw/zinc/53/13/67/554531367.db2.gz HUABDGUUEYXHCW-NEKJGATJSA-N 0 0 538.416 5.643 50 10 KKCARN CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl ZINC000100944828 554533380 /nfs/dbraw/zinc/53/33/80/554533380.db2.gz UHLNRVSEPMZHPJ-HBIIXJERSA-N 0 0 532.025 5.423 50 10 KKCARN Cc1cc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)ccc1Cl ZINC000100945432 554533750 /nfs/dbraw/zinc/53/37/50/554533750.db2.gz YJBBJZWQABBWNO-GIFFBUQOSA-N 0 0 532.025 5.559 50 10 KKCARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000100958744 554541644 /nfs/dbraw/zinc/54/16/44/554541644.db2.gz JHQXNEOEUYYGBN-UZEJHQAJSA-N 0 0 576.274 8.078 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000100969691 554543378 /nfs/dbraw/zinc/54/33/78/554543378.db2.gz ABEXFCACSIEGCN-SSBOKUKZSA-N 0 0 544.538 6.050 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000100977985 554547303 /nfs/dbraw/zinc/54/73/03/554547303.db2.gz JOWGPOSJOPBNCG-FLBADVGZSA-N 0 0 542.591 5.509 50 10 KKCARN COc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccc(I)cc2c1=O ZINC000100995226 554550843 /nfs/dbraw/zinc/55/08/43/554550843.db2.gz RJMYMAHAPNNCON-XNTDXEJSSA-N 0 0 523.374 5.235 50 10 KKCARN CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000101017427 554561110 /nfs/dbraw/zinc/56/11/10/554561110.db2.gz RZMPBMXQEPFUFU-BQHBAAMWSA-N 0 0 535.760 6.812 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1Cl ZINC000101028993 554564553 /nfs/dbraw/zinc/56/45/53/554564553.db2.gz RFDKTAYCZROMLF-KOEQRZSOSA-N 0 0 538.138 7.515 50 10 KKCARN CCCc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101035203 554565343 /nfs/dbraw/zinc/56/53/43/554565343.db2.gz LGZVEMJNEFQJAH-JRLXJTRMSA-N 0 0 548.683 6.236 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)cc1 ZINC000101038223 554567370 /nfs/dbraw/zinc/56/73/70/554567370.db2.gz USFCCGLGBDBKJK-DCSGAYFJSA-N 0 0 530.675 6.387 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000101040052 554567396 /nfs/dbraw/zinc/56/73/96/554567396.db2.gz FTKPFOBZCHDZNM-HFTWOUSFSA-N 0 0 539.726 7.162 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101071304 554575462 /nfs/dbraw/zinc/57/54/62/554575462.db2.gz VBKDRVPWWJTYBC-ULNSLHSMSA-N 0 0 594.892 7.419 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000101071323 554575478 /nfs/dbraw/zinc/57/54/78/554575478.db2.gz SYAXXUGRNNCYSR-QKDODKLFSA-N 0 0 566.476 6.827 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000101076053 554577468 /nfs/dbraw/zinc/57/74/68/554577468.db2.gz UAJVMCLXWSULPS-HJOGWXRNSA-N 0 0 544.401 5.268 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000101076139 554577476 /nfs/dbraw/zinc/57/74/76/554577476.db2.gz NPUGASPDXRYGGI-VJGNERBWSA-N 0 0 533.967 5.702 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000101076152 554577534 /nfs/dbraw/zinc/57/75/34/554577534.db2.gz LEAFKDDUVRBFCD-OYUWMTPXSA-N 0 0 578.418 5.811 50 10 KKCARN Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Br)cc1 ZINC000101084849 554580464 /nfs/dbraw/zinc/58/04/64/554580464.db2.gz KPCXGLBDLGIVDX-HIHWOFHQSA-N 0 0 532.423 5.399 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092697 554583043 /nfs/dbraw/zinc/58/30/43/554583043.db2.gz BHEOWBWDVLMDJY-SSBOKUKZSA-N 0 0 560.447 6.765 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000101092743 554583292 /nfs/dbraw/zinc/58/32/92/554583292.db2.gz SWKLWUZTWJXHDN-YTCPBCGMSA-N 0 0 605.444 6.674 50 10 KKCARN O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000101099620 554586320 /nfs/dbraw/zinc/58/63/20/554586320.db2.gz QVEBNWLDCUWRDJ-WGOQTCKBSA-N 0 0 613.683 5.961 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=S)cc1 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COc1ccc([C@@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102896755 555136970 /nfs/dbraw/zinc/13/69/70/555136970.db2.gz OQSQTQWZVGEJLS-WRVRXEDSSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896883 555137287 /nfs/dbraw/zinc/13/72/87/555137287.db2.gz QWBDAAGMRHXNNX-JFHPUIQFSA-N 0 0 559.593 6.159 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000102897033 555137331 /nfs/dbraw/zinc/13/73/31/555137331.db2.gz WOKIQPUVJPPJIL-ULNSLHSMSA-N 0 0 551.976 6.935 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(SC(F)F)cc1 ZINC000102943459 555170944 /nfs/dbraw/zinc/17/09/44/555170944.db2.gz JILOKISXXVOYBB-WJDWOHSUSA-N 0 0 516.563 5.833 50 10 KKCARN CCCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000102971596 555181678 /nfs/dbraw/zinc/18/16/78/555181678.db2.gz UPQBHEYPHQXRLQ-QHCPKHFHSA-N 0 0 550.725 5.190 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)c1ccc(Br)cc1 ZINC000102988164 555191558 /nfs/dbraw/zinc/19/15/58/555191558.db2.gz HHDNBQMRWHTRDF-DRLORSAXSA-N 0 0 567.277 7.078 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000103046883 555228813 /nfs/dbraw/zinc/22/88/13/555228813.db2.gz IEGCTMMXKPRWPL-UHFFFAOYSA-N 0 0 556.700 6.023 50 10 KKCARN Cc1cc(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000103059511 555239637 /nfs/dbraw/zinc/23/96/37/555239637.db2.gz UYVMFNVTUHCGOQ-UHFFFAOYSA-N 0 0 539.432 5.787 50 10 KKCARN CCCCCc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060531 555241815 /nfs/dbraw/zinc/24/18/15/555241815.db2.gz QDRHTFDQEJVLLQ-BNSAVYCWSA-N 0 0 576.737 7.016 50 10 KKCARN Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccncc1 ZINC000103089477 555268173 /nfs/dbraw/zinc/26/81/73/555268173.db2.gz KWOPHQLEQFKNNL-UHFFFAOYSA-N 0 0 566.042 5.797 50 10 KKCARN Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nc3ccccc3c2=O)c1C ZINC000103092964 555271862 /nfs/dbraw/zinc/27/18/62/555271862.db2.gz ODVKTWAESUKGPB-UHFFFAOYSA-N 0 0 545.620 5.509 50 10 KKCARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1Cl ZINC000103113317 555286343 /nfs/dbraw/zinc/28/63/43/555286343.db2.gz IHKXXITYFBBYRA-UHFFFAOYSA-N 0 0 581.916 5.580 50 10 KKCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000103114084 555287120 /nfs/dbraw/zinc/28/71/20/555287120.db2.gz PJXPVOYTKJHAMB-DEOSSOPVSA-N 0 0 538.943 5.243 50 10 KKCARN Cc1cc(C(=O)CSC2=NC(=Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000103129936 555298678 /nfs/dbraw/zinc/29/86/78/555298678.db2.gz LXRUEXWWSLJOJO-FMFFXOCNSA-N 0 0 575.778 8.503 50 10 KKCARN Cc1cc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2C)c(C)n1-c1cccc(F)c1 ZINC000103141230 555310702 /nfs/dbraw/zinc/31/07/02/555310702.db2.gz DQDHSTGVVHUTHO-UHFFFAOYSA-N 0 0 552.719 8.062 50 10 KKCARN O=C1c2ccccc2C(=O)c2cc(CSc3nnc(-c4cc(-c5ccccc5)nc5ccccc54)n3C[C@H]3CCCO3)ccc21 ZINC000103145566 555313135 /nfs/dbraw/zinc/31/31/35/555313135.db2.gz WYUIGQMYYNEAJP-RUZDIDTESA-N 0 0 608.723 7.407 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)CC3)cc2-c2ccccc2)cc1OC ZINC000103212814 555340210 /nfs/dbraw/zinc/34/02/10/555340210.db2.gz IWBHRXLSTOHHFO-LFIBNONCSA-N 0 0 580.641 5.376 50 10 KKCARN CCNC(=O)N(Cc1ccco1)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000103366603 555365856 /nfs/dbraw/zinc/36/58/56/555365856.db2.gz BXQSCFMYVRYIJD-UHFFFAOYSA-N 0 0 553.603 5.644 50 10 KKCARN CCN(C)C(=O)c1cccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(F)(F)F)n2)c1 ZINC000103390690 555376014 /nfs/dbraw/zinc/37/60/14/555376014.db2.gz GFTLYKPVLYNRLY-UHFFFAOYSA-N 0 0 545.631 5.215 50 10 KKCARN COc1ccc(N2CCN3c4ccc(Br)cc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@@H]3C2)cc1 ZINC000103405473 555391862 /nfs/dbraw/zinc/39/18/62/555391862.db2.gz WUEOLOJFJUPNEQ-XTEPFMGCSA-N 0 0 565.899 5.772 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408965 555395165 /nfs/dbraw/zinc/39/51/65/555395165.db2.gz MZFLXGMHTHYWLN-XMMPIXPASA-N 0 0 609.547 6.568 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418310 555398128 /nfs/dbraw/zinc/39/81/28/555398128.db2.gz BWISGNCDZXVISR-UHFFFAOYSA-N 0 0 571.548 5.958 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418292 555398162 /nfs/dbraw/zinc/39/81/62/555398162.db2.gz OUJMSQHWTDZGAW-UHFFFAOYSA-N 0 0 560.544 5.564 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000103450604 555420703 /nfs/dbraw/zinc/42/07/03/555420703.db2.gz UYYRIQFOTLTJOH-YTTGMZPUSA-N 0 0 507.678 7.568 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2cccc(OC)c2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103523282 555427648 /nfs/dbraw/zinc/42/76/48/555427648.db2.gz NSRMBQRBEXGSCF-XWHIBYANSA-N 0 0 555.630 6.410 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103529536 555429860 /nfs/dbraw/zinc/42/98/60/555429860.db2.gz DORQSEXDDJNFRM-JCYYIGJDSA-N 0 0 547.632 6.082 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103531824 555432315 /nfs/dbraw/zinc/43/23/15/555432315.db2.gz WPCMTYUUNYPEBU-RTOKGZNSSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103535154 555435068 /nfs/dbraw/zinc/43/50/68/555435068.db2.gz BHYXAQRVGNKHBF-NLDZOOGBSA-N 0 0 547.632 6.082 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000103540150 555438089 /nfs/dbraw/zinc/43/80/89/555438089.db2.gz SOQYNSVNFCZZBP-DCMFLLSESA-N 0 0 585.656 6.337 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103541125 555438310 /nfs/dbraw/zinc/43/83/10/555438310.db2.gz GJQQSPIARPGEMY-JCYYIGJDSA-N 0 0 582.077 6.735 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103540864 555438398 /nfs/dbraw/zinc/43/83/98/555438398.db2.gz STPRZDKAIOEILG-ULNSLHSMSA-N 0 0 544.538 6.050 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103541055 555438421 /nfs/dbraw/zinc/43/84/21/555438421.db2.gz ROFCLPXSOPJSPU-ULNSLHSMSA-N 0 0 584.886 7.963 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103543131 555439445 /nfs/dbraw/zinc/43/94/45/555439445.db2.gz LBYBIVPQQYEWOB-SXLOSVNLSA-N 0 0 567.685 7.210 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103546088 555440634 /nfs/dbraw/zinc/44/06/34/555440634.db2.gz ZSGISSXRUKFRKG-ZNZIZOMTSA-N 0 0 541.003 6.297 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000103549625 555442768 /nfs/dbraw/zinc/44/27/68/555442768.db2.gz ABBLFZZLCXZEJX-AWCRTANDSA-N 0 0 595.438 7.218 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103552577 555444483 /nfs/dbraw/zinc/44/44/83/555444483.db2.gz JKWDMNJDUULXKJ-JFHPUIQFSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103553530 555445069 /nfs/dbraw/zinc/44/50/69/555445069.db2.gz MBDBXPOEOAQUPJ-NLDZOOGBSA-N 0 0 582.077 6.735 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103554869 555445576 /nfs/dbraw/zinc/44/55/76/555445576.db2.gz IAOPOOMGGNJBHE-OLUZHXLYSA-N 0 0 576.048 6.674 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3cc(C)cc(C)c3)C1=N2 ZINC000103558405 555447165 /nfs/dbraw/zinc/44/71/65/555447165.db2.gz CMSWIUJUZDGWHR-LJAQVGFWSA-N 0 0 604.512 7.456 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103563393 555450134 /nfs/dbraw/zinc/45/01/34/555450134.db2.gz OFVFCZYLNLKYDK-ULNSLHSMSA-N 0 0 594.892 7.419 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103704830 555464159 /nfs/dbraw/zinc/46/41/59/555464159.db2.gz QZWSGUXPORGDKN-MWINZGNRSA-N 0 0 566.517 6.719 50 10 KKCARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N(c3ccccc3)C2=O)cc1 ZINC000103702365 555464195 /nfs/dbraw/zinc/46/41/95/555464195.db2.gz RIXGTQHEDZFSDW-HAHDFKILSA-N 0 0 524.568 5.887 50 10 KKCARN CCCOc1c(I)cc(C=C2SC(Nc3cccc4ccccc43)=NC2=O)cc1OCC ZINC000103712201 555464890 /nfs/dbraw/zinc/46/48/90/555464890.db2.gz XELUADFKWSTLOS-JCMHNJIXSA-N 0 0 558.441 6.714 50 10 KKCARN CCOC(=O)c1sc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)C2=O)nc1C ZINC000103723716 555465072 /nfs/dbraw/zinc/46/50/72/555465072.db2.gz RXEYPWWBQPPGGA-GDNBJRDFSA-N 0 0 523.920 6.367 50 10 KKCARN CCOC(=O)c1sc(N2N=C(C)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)nc1C ZINC000103723727 555465357 /nfs/dbraw/zinc/46/53/57/555465357.db2.gz HQWOTQRGVHCVJL-NDENLUEZSA-N 0 0 570.465 5.784 50 10 KKCARN Cc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)c1 ZINC000103751582 555467870 /nfs/dbraw/zinc/46/78/70/555467870.db2.gz SADUGZVBPMZJHN-SFEOLCCSSA-N 0 0 540.048 6.350 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000104140213 571374739 /nfs/dbraw/zinc/37/47/39/571374739.db2.gz YIXIEZKOHMTYHW-QSCLJHCWSA-N 0 0 592.651 6.568 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000105795525 571408763 /nfs/dbraw/zinc/40/87/63/571408763.db2.gz NVUZOETXXCYRCX-XWHIBYANSA-N 0 0 555.630 6.329 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000113628396 571441757 /nfs/dbraw/zinc/44/17/57/571441757.db2.gz SUQXFKWGHLKMSC-HXUWFJFHSA-N 0 0 549.645 5.351 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccccc2Br)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000135737289 571448832 /nfs/dbraw/zinc/44/88/32/571448832.db2.gz XXRNAIWQMCXRLV-FHUDNDRBSA-N 0 0 557.536 7.018 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000136694944 571449760 /nfs/dbraw/zinc/44/97/60/571449760.db2.gz MUVAKEGAIWSSPV-HJAKTIQESA-N 0 0 584.698 6.365 50 10 KKCARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n32)cc1OC ZINC000150345183 571459790 /nfs/dbraw/zinc/45/97/90/571459790.db2.gz FPDHMGZGCHIFQF-TZSYTQTBSA-N 0 0 694.857 7.274 50 10 KKCARN CC(=O)[C@@H](N=Nc1ccc(-c2ccc(N=N[C@@H](C(C)=O)C(=O)Nc3cc(C)c(Cl)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1cc(C)c(Cl)cc1C ZINC000150348901 571461373 /nfs/dbraw/zinc/46/13/73/571461373.db2.gz BZEUYOGENKVTMW-UZDMHDHVSA-N 0 0 754.502 10.561 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000150368790 571465553 /nfs/dbraw/zinc/46/55/53/571465553.db2.gz HCVGMIHRAXXNNP-FUFNRSNVSA-N 0 0 651.570 5.427 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(I)cc1 ZINC000150385156 571468677 /nfs/dbraw/zinc/46/86/77/571468677.db2.gz VKZQBVWTQLJTLX-ZDLGFXPLSA-N 0 0 613.252 6.628 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000150385347 571468715 /nfs/dbraw/zinc/46/87/15/571468715.db2.gz LVQSOUOVTXNESX-LSFURLLWSA-N 0 0 703.261 7.950 50 10 KKCARN O=C1/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000150385377 571468719 /nfs/dbraw/zinc/46/87/19/571468719.db2.gz BSCINFYNGHMPPW-DJKKODMXSA-N 0 0 705.284 8.245 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)cc1C ZINC000150388846 571471241 /nfs/dbraw/zinc/47/12/41/571471241.db2.gz SQFOTKZNIOMWPV-LPYMAVHISA-N 0 0 683.374 7.497 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1F ZINC000150390325 571472639 /nfs/dbraw/zinc/47/26/39/571472639.db2.gz UPRZWYAXHCGYCI-UFFVCSGVSA-N 0 0 690.781 7.840 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)NC2=O)cc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150391316 571473667 /nfs/dbraw/zinc/47/36/67/571473667.db2.gz LQGXYXOXHNLXPU-NDENLUEZSA-N 0 0 619.312 6.139 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150407138 571480021 /nfs/dbraw/zinc/48/00/21/571480021.db2.gz CVXIKLGZMTZLGT-HRDPZVOISA-N 0 0 647.797 5.995 50 10 KKCARN CCCCCC[C@@H](CCN1c2cc(Cl)c(Cl)cc2N(CC)/C1=C\C=C\c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC)S(=O)(=O)[O-] ZINC000150412144 571484162 /nfs/dbraw/zinc/48/41/62/571484162.db2.gz PNIHHKXTZJTRGO-QFIPXVFZSA-O 0 0 703.584 9.400 50 10 KKCARN CCCCCC[C@H](CCN1c2cc(Cl)c(Cl)cc2N(CC)/C1=C\C=C\c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC)S(=O)(=O)[O-] ZINC000150412148 571484201 /nfs/dbraw/zinc/48/42/01/571484201.db2.gz PNIHHKXTZJTRGO-JOCHJYFZSA-O 0 0 703.584 9.400 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150416145 571485696 /nfs/dbraw/zinc/48/56/96/571485696.db2.gz WTOGVQWWOBEQES-PKYOQBLNSA-N 0 0 697.051 5.868 50 10 KKCARN COc1ccc(N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(F)F)cc3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000150425620 571489862 /nfs/dbraw/zinc/48/98/62/571489862.db2.gz IQFJYWMVTLWCRC-UHFFFAOYSA-N 0 0 636.611 6.741 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000150440346 571498023 /nfs/dbraw/zinc/49/80/23/571498023.db2.gz JDJMXJVRWYIHFW-YTCPBCGMSA-N 0 0 629.337 8.072 50 10 KKCARN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150444482 571499774 /nfs/dbraw/zinc/49/97/74/571499774.db2.gz DBTVOHFAGOOREP-FMQUCBEESA-N 0 0 692.710 6.014 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000150455457 571504397 /nfs/dbraw/zinc/50/43/97/571504397.db2.gz DCDSXHJRTSCBHA-LPNYDJGQSA-N 0 0 632.524 6.300 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)COc3nc4ccccc4s3)C(C)(C)C2=S)S1 ZINC000150474291 571510523 /nfs/dbraw/zinc/51/05/23/571510523.db2.gz WKJGWKHPTYEVOP-UHFFFAOYSA-N 0 0 628.775 5.585 50 10 KKCARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)c2)cc1 ZINC000150482359 571513096 /nfs/dbraw/zinc/51/30/96/571513096.db2.gz HPXXXYRBHDDAPI-RMXJBNMXSA-N 0 0 650.713 6.680 50 10 KKCARN CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C(=Cc4ccc5c6ccccc6n(CC)c5c4)NC(=O)c4ccccc4)c3)C2=O)cc1 ZINC000150484859 571515493 /nfs/dbraw/zinc/51/54/93/571515493.db2.gz TYLIMLRFSJRQCE-CPOYULECSA-N 0 0 736.850 7.825 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150503426 571518927 /nfs/dbraw/zinc/51/89/27/571518927.db2.gz ZXHXHFAHIRVOGX-HZHRSRAPSA-N 0 0 626.707 6.718 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000150612307 571523030 /nfs/dbraw/zinc/52/30/30/571523030.db2.gz XMCQVQUBKNFSOM-VYDHRHICSA-N 0 0 636.409 8.005 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150624723 571523696 /nfs/dbraw/zinc/52/36/96/571523696.db2.gz TYXQWYYTXRSJQA-AJBULDERSA-N 0 0 644.775 6.082 50 10 KKCARN COc1ccc(NC(=O)COC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)cc1Cl ZINC000150635712 571524283 /nfs/dbraw/zinc/52/42/83/571524283.db2.gz TXXLSROHVLUADW-BHGWPJFGSA-N 0 0 667.083 6.343 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(-c5ccccc5)cc4)C(=O)[C@@H]23)cc1 ZINC000169684679 571558323 /nfs/dbraw/zinc/55/83/23/571558323.db2.gz ZJXSZRZUIHMEJF-FCEKVYKBSA-N 0 0 513.549 5.357 50 10 KKCARN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)sc3n2)cc1 ZINC000215746007 571585867 /nfs/dbraw/zinc/58/58/67/571585867.db2.gz AEPPFTDUKPRGBA-UHFFFAOYSA-N 0 0 562.695 7.374 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000224675971 571600981 /nfs/dbraw/zinc/60/09/81/571600981.db2.gz VQQQAEBHUOQRJB-ROJLCIKYSA-N 0 0 649.615 6.732 50 10 KKCARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000217664908 571602263 /nfs/dbraw/zinc/60/22/63/571602263.db2.gz TUSBNAZTENHWPG-KKVCJECGSA-N 0 0 568.095 5.164 50 10 KKCARN COc1ccc2c(c1)S[C@@H](c1cccc(C(F)(F)F)c1)CCN2Cc1cc2c(c(OC)c1)OCO2 ZINC000299767439 572135614 /nfs/dbraw/zinc/13/56/14/572135614.db2.gz HFTQVTJUHSVDTE-HSZRJFAPSA-N 0 0 503.542 6.695 50 10 KKCARN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000226979887 572146854 /nfs/dbraw/zinc/14/68/54/572146854.db2.gz YCJJYVRHQNLDFK-MZMMNKLXSA-N 0 0 530.624 7.966 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227066093 572149159 /nfs/dbraw/zinc/14/91/59/572149159.db2.gz AWRHBMAARCLNFT-DTXPUJKBSA-N 0 0 564.012 6.804 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000227086860 572150275 /nfs/dbraw/zinc/15/02/75/572150275.db2.gz MUQRUCANDPOVJX-CHQNGUEUSA-N 0 0 559.593 6.159 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000227230444 572151023 /nfs/dbraw/zinc/15/10/23/572151023.db2.gz ZQWFLSGLNKYADC-NXCFDTQHSA-N 0 0 609.347 7.805 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000227239366 572152337 /nfs/dbraw/zinc/15/23/37/572152337.db2.gz TVIITGMNZOQFCK-YTCPBCGMSA-N 0 0 551.976 6.935 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227244065 572152856 /nfs/dbraw/zinc/15/28/56/572152856.db2.gz DCSGPQSKPVQVDX-QAXCHELISA-N 0 0 589.619 6.168 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000229592147 572154528 /nfs/dbraw/zinc/15/45/28/572154528.db2.gz UXXOWEQNKKFAAB-DTXPUJKBSA-N 0 0 558.565 6.359 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000229596318 572154604 /nfs/dbraw/zinc/15/46/04/572154604.db2.gz WCRINCQYDGYOFZ-JBOQNHBVSA-N 0 0 574.564 6.059 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000229598728 572155073 /nfs/dbraw/zinc/15/50/73/572155073.db2.gz UKSPDUBARWDXOP-DTXPUJKBSA-N 0 0 574.564 6.059 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229645611 572158968 /nfs/dbraw/zinc/15/89/68/572158968.db2.gz GIWHFOAGGSDEJP-DTXPUJKBSA-N 0 0 540.575 5.323 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000229862507 572162096 /nfs/dbraw/zinc/16/20/96/572162096.db2.gz AZOGBFNMGYCDSM-ZDCRTTOTSA-N 0 0 588.103 7.788 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000229867366 572163078 /nfs/dbraw/zinc/16/30/78/572163078.db2.gz IASXYPYXBIAHRU-YPKYBTACSA-N 0 0 560.049 6.973 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000229867417 572163325 /nfs/dbraw/zinc/16/33/25/572163325.db2.gz QKUVWIQDDCISFS-JBOQNHBVSA-N 0 0 564.012 6.804 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229871674 572163864 /nfs/dbraw/zinc/16/38/64/572163864.db2.gz SZNRUMYDPKRDJJ-PKTNWEFCSA-N 0 0 576.996 5.809 50 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/nfs/dbraw/zinc/16/60/70/572166070.db2.gz QWLRAMATASVKNB-OYUWMTPXSA-N 0 0 556.058 6.406 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000229892817 572166136 /nfs/dbraw/zinc/16/61/36/572166136.db2.gz DZRIOEPQOGXWMC-DTXPUJKBSA-N 0 0 548.013 7.104 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229893303 572166205 /nfs/dbraw/zinc/16/62/05/572166205.db2.gz QWLRAMATASVKNB-GMQQYTKMSA-N 0 0 556.058 6.406 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229898846 572167406 /nfs/dbraw/zinc/16/74/06/572167406.db2.gz QWBDAAGMRHXNNX-OJDZSJEKSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229902397 572168105 /nfs/dbraw/zinc/16/81/05/572168105.db2.gz FVETZJSMPUVHLC-OJDZSJEKSA-N 0 0 573.620 6.468 50 10 KKCARN 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Cc1c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000000660609 551516076 /nfs/dbraw/zinc/51/60/76/551516076.db2.gz AIXRGMFAOJWJHU-ZVHZXABRSA-N 0 0 518.386 5.993 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(OC)c3)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000000729098 551539062 /nfs/dbraw/zinc/53/90/62/551539062.db2.gz QOCVCNGUKSQEBH-UHFFFAOYSA-N 0 0 560.072 5.806 50 10 KKCARN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc([N+](=O)[O-])c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000000797202 551542902 /nfs/dbraw/zinc/54/29/02/551542902.db2.gz LFHXJHDSTFIUGX-MXBOTTGLSA-N 0 0 543.531 5.642 50 10 KKCARN O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000832305 551546321 /nfs/dbraw/zinc/54/63/21/551546321.db2.gz JCVNVGPDVLJQPA-UHFFFAOYSA-N 0 0 546.754 5.288 50 10 KKCARN O=S(=O)(Nc1c(Cl)c(Cl)c(NS(=O)(=O)c2ccccc2)c(Cl)c1Cl)c1ccccc1 ZINC000000851479 551549767 /nfs/dbraw/zinc/54/97/67/551549767.db2.gz MGWQBOXYCUJGJI-UHFFFAOYSA-N 0 0 526.250 5.902 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000973274 551590881 /nfs/dbraw/zinc/59/08/81/551590881.db2.gz ANCDZECLUYQONQ-RNAHPLFWSA-N 0 0 529.504 5.334 50 10 KKCARN COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000000978935 551591418 /nfs/dbraw/zinc/59/14/18/551591418.db2.gz ZMQINXOXSHNGTP-UDCNLSRBSA-N 0 0 510.587 5.479 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(F)c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000001013785 551596931 /nfs/dbraw/zinc/59/69/31/551596931.db2.gz COMYVAZBWAPFIE-NEEKEDPPSA-N 0 0 516.524 5.873 50 10 KKCARN Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4Cl)SC3=S)s2)cc1 ZINC000001235811 551629962 /nfs/dbraw/zinc/62/99/62/551629962.db2.gz SGHYCMAJDNFRMP-MOSHPQCFSA-N 0 0 514.097 5.926 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000001253027 551632713 /nfs/dbraw/zinc/63/27/13/551632713.db2.gz IBCXAROBBTZHKX-XFCANUNOSA-N 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/nfs/dbraw/zinc/72/05/74/551720574.db2.gz CLFFIOBWTWINTO-UHFFFAOYSA-N 0 0 528.608 5.153 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000001876793 551722947 /nfs/dbraw/zinc/72/29/47/551722947.db2.gz JHSDBIOYQPIYIZ-GMQQYTKMSA-N 0 0 590.915 8.025 50 10 KKCARN COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)c(OC)c1 ZINC000001879650 551723891 /nfs/dbraw/zinc/72/38/91/551723891.db2.gz BVKYQKNXJVIBCV-JGCGQSQUSA-N 0 0 583.696 7.059 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000001881012 551724283 /nfs/dbraw/zinc/72/42/83/551724283.db2.gz XHBXLLSKSYWWGI-NLDZOOGBSA-N 0 0 568.431 7.449 50 10 KKCARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001895267 551727590 /nfs/dbraw/zinc/72/75/90/551727590.db2.gz UOAOEJOGELLLPA-UHFFFAOYSA-N 0 0 528.987 7.246 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S)c1ccccc1Cl 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/nfs/dbraw/zinc/75/31/86/551753186.db2.gz JOBHOOCVDZQFTO-UHFFFAOYSA-N 0 0 579.669 7.337 50 10 KKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000002087618 551757038 /nfs/dbraw/zinc/75/70/38/551757038.db2.gz OWSQPKWZBWUULJ-UHFFFAOYSA-N 0 0 509.700 7.620 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C)n1-c1ccccc1 ZINC000002087783 551757261 /nfs/dbraw/zinc/75/72/61/551757261.db2.gz YHFCGMJZMRBKBG-LJQANCHMSA-N 0 0 539.726 6.955 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002119799 551770093 /nfs/dbraw/zinc/77/00/93/551770093.db2.gz FIYRNKRGWCXXQI-NHDPSOOVSA-N 0 0 584.866 8.106 50 10 KKCARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(c1ccc(OCc2ccccc2)cc1)C3 ZINC000002160188 551780507 /nfs/dbraw/zinc/78/05/07/551780507.db2.gz OMMYMDNJQDJGTD-UHFFFAOYSA-N 0 0 503.598 6.936 50 10 biogenic KKCARN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)N(C)C2=S)cc1 ZINC000002185328 551786435 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CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000002448872 552122387 /nfs/dbraw/zinc/12/23/87/552122387.db2.gz CZWIGQKWMMYNIQ-YPKYBTACSA-N 0 0 543.594 6.541 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002450552 552123057 /nfs/dbraw/zinc/12/30/57/552123057.db2.gz QMVAEMSLOIFJDS-FCEKVYKBSA-N 0 0 517.606 6.073 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl ZINC000002508821 552126310 /nfs/dbraw/zinc/12/63/10/552126310.db2.gz YGUBIAPOAOXUPB-XKZIYDEJSA-N 0 0 508.024 6.196 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)SC2=S)cc1OC ZINC000002533076 552127843 /nfs/dbraw/zinc/12/78/43/552127843.db2.gz GPVDQTQNTCEAKQ-PKAZHMFMSA-N 0 0 559.688 6.448 50 10 KKCARN Cc1c(OCC(C)C)cccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000002533086 552127886 /nfs/dbraw/zinc/12/78/86/552127886.db2.gz CUKNNEFRXVKUAQ-GGIMQYPNSA-N 0 0 533.719 6.263 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000002533032 552127897 /nfs/dbraw/zinc/12/78/97/552127897.db2.gz XDCRCGPGUHSHLB-XYGWBWBKSA-N 0 0 513.644 5.958 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1OCC(C)C ZINC000002533193 552128119 /nfs/dbraw/zinc/12/81/19/552128119.db2.gz HCHRHQRKAXNLMP-QQXSKIMKSA-N 0 0 517.720 7.026 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000002595852 552134575 /nfs/dbraw/zinc/13/45/75/552134575.db2.gz NEFWJTAFLRBKQT-XAGDYJCDSA-N 0 0 572.617 5.518 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000002604548 552135533 /nfs/dbraw/zinc/13/55/33/552135533.db2.gz SECIOMRKCOQFBK-IWWXRALLSA-N 0 0 574.076 7.363 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000002605993 552136245 /nfs/dbraw/zinc/13/62/45/552136245.db2.gz AUHGQKPLZNHFDY-ILJQZKEFSA-N 0 0 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KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000015998840 553549560 /nfs/dbraw/zinc/54/95/60/553549560.db2.gz CAFMMSRTIRABLN-OJDZSJEKSA-N 0 0 525.604 6.402 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016001384 553549922 /nfs/dbraw/zinc/54/99/22/553549922.db2.gz FHZRPCIBIQKTFI-OYUWMTPXSA-N 0 0 513.977 5.380 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016001288 553549929 /nfs/dbraw/zinc/54/99/29/553549929.db2.gz XRRXWGYLSWIXPW-VJGNERBWSA-N 0 0 505.570 6.204 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000016001428 553550038 /nfs/dbraw/zinc/55/00/38/553550038.db2.gz ULUNLLBIEPYRMT-OIFRRMEBSA-N 0 0 513.568 6.450 50 10 KKCARN CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000016001584 553550062 /nfs/dbraw/zinc/55/00/62/553550062.db2.gz HFUNXIVXRVSAQK-JIMJEQGWSA-N 0 0 502.397 6.324 50 10 KKCARN O=C(c1ccccc1F)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016001956 553550102 /nfs/dbraw/zinc/55/01/02/553550102.db2.gz LAGLULYXSSDMBE-AWCRTANDSA-N 0 0 517.531 6.281 50 10 KKCARN Cc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O ZINC000016011580 553550650 /nfs/dbraw/zinc/55/06/50/553550650.db2.gz IUWXCVPAJALPAL-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016039081 553552729 /nfs/dbraw/zinc/55/27/29/553552729.db2.gz AZHFMQNWSAANNP-HJOGWXRNSA-N 0 0 514.375 5.056 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000016349147 553560841 /nfs/dbraw/zinc/56/08/41/553560841.db2.gz VMVCJRDBZDEHKE-HMAPJEAMSA-N 0 0 506.561 5.537 50 10 KKCARN Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1Cl ZINC000016531845 553567332 /nfs/dbraw/zinc/56/73/32/553567332.db2.gz FOOBSAHRBBUPRS-UHFFFAOYSA-N 0 0 505.061 8.058 50 10 KKCARN CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cc(Cl)cc(Cl)c4)N=C3C)o2)ccc1Cl ZINC000016687755 553572718 /nfs/dbraw/zinc/57/27/18/553572718.db2.gz NNTDHLLFVXLFQK-XDHOZWIPSA-N 0 0 503.769 6.890 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 ZINC000016730963 553576913 /nfs/dbraw/zinc/57/69/13/553576913.db2.gz UJXBHROETJLSQO-HNENSFHCSA-N 0 0 505.434 5.507 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCc3ccccc3)C2=O)SC1=S ZINC000016733040 553577933 /nfs/dbraw/zinc/57/79/33/553577933.db2.gz GMAQCONPYCIVKP-KRXRYSOXSA-N 0 0 521.708 5.137 50 10 KKCARN C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)C1 ZINC000016733576 553578147 /nfs/dbraw/zinc/57/81/47/553578147.db2.gz ASAHMZPVJGKXLQ-HEXNSGTLSA-N 0 0 525.099 5.232 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1F ZINC000016805368 553582854 /nfs/dbraw/zinc/58/28/54/553582854.db2.gz BRSLVZHBMUPAPC-ULJHMMPZSA-N 0 0 525.671 6.095 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1F ZINC000016805338 553582860 /nfs/dbraw/zinc/58/28/60/553582860.db2.gz KDQMORGJZYTJGM-RRFFURKPSA-N 0 0 523.655 5.847 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017445227 553596563 /nfs/dbraw/zinc/59/65/63/553596563.db2.gz OIGHBIWWOOXXGQ-KNQAVFIVSA-N 0 0 500.190 6.160 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000070673481 553603748 /nfs/dbraw/zinc/60/37/48/553603748.db2.gz ANTYNPVWLIJLPM-MJSOWUPRSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687094 553606202 /nfs/dbraw/zinc/60/62/02/553606202.db2.gz NKTNYKQIXHZKQE-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN CC(NCCc1c[nH]cn1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000018190505 553608160 /nfs/dbraw/zinc/60/81/60/553608160.db2.gz QSHGUEZLBGBCFH-JCMHNJIXSA-N 0 0 509.060 5.274 50 10 KKCARN O=C1N=C(Nc2cccc(Br)c2)SC1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000018193886 553608349 /nfs/dbraw/zinc/60/83/49/553608349.db2.gz PLUYFRLWQMOGJM-VCHYOVAHSA-N 0 0 504.749 6.353 50 10 KKCARN COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O ZINC000020210905 553610721 /nfs/dbraw/zinc/61/07/21/553610721.db2.gz ZUBOWMYFVKMEQW-URLWSPITSA-N 0 0 505.987 5.146 50 10 KKCARN CCOC(=O)c1c(CSc2ccc(Cl)cc2)n(C)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000019285699 553613007 /nfs/dbraw/zinc/61/30/07/553613007.db2.gz SUJRLHKRIIXFSF-UHFFFAOYSA-N 0 0 511.869 5.830 50 10 KKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1Br ZINC000019809066 553618110 /nfs/dbraw/zinc/61/81/10/553618110.db2.gz OMVQIKISFMGOJI-CLCOLTQESA-N 0 0 518.480 5.827 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1OC ZINC000020236527 553623473 /nfs/dbraw/zinc/62/34/73/553623473.db2.gz YAUVMNMGUNYELT-NNACSMCCSA-N 0 0 511.962 5.046 50 10 KKCARN CCN(CC)c1ccc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000020036192 553667746 /nfs/dbraw/zinc/66/77/46/553667746.db2.gz DCIOCZHVJPBVLJ-NEGKTLQESA-N 0 0 503.643 6.923 50 10 KKCARN CCOC(=O)c1c(COc2cccc(C(F)(F)F)c2)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393667 553679653 /nfs/dbraw/zinc/67/96/53/553679653.db2.gz XZEVNPASPWQQPN-UHFFFAOYSA-N 0 0 527.543 5.782 50 10 KKCARN Nc1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)c3)cc2)cc1 ZINC000020102988 553687684 /nfs/dbraw/zinc/68/76/84/553687684.db2.gz QWCHFDRTENBRST-UHFFFAOYSA-N 0 0 500.554 6.898 50 10 KKCARN CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OCC)cc3)ccc21 ZINC000020730969 553691822 /nfs/dbraw/zinc/69/18/22/553691822.db2.gz ASUPJTJKULXMMH-UHFFFAOYSA-N 0 0 510.748 5.169 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C(=O)OCC)cc3)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000020731205 553691881 /nfs/dbraw/zinc/69/18/81/553691881.db2.gz ZCKTUWTUUILBOD-CUNXSJBXSA-N 0 0 507.744 6.804 50 10 KKCARN CCCN1CCCc2cc(CN(CCCOC(C)C)C(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020731546 553692180 /nfs/dbraw/zinc/69/21/80/553692180.db2.gz BVQIXNXXALSZEU-UHFFFAOYSA-N 0 0 507.666 6.882 50 10 KKCARN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763038 553696075 /nfs/dbraw/zinc/69/60/75/553696075.db2.gz UDQVFDHGZAWUGK-GGAORHGYSA-N 0 0 516.233 6.148 50 10 KKCARN COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000020763699 553696309 /nfs/dbraw/zinc/69/63/09/553696309.db2.gz QCEDCISREFBBQL-JTHBVZDNSA-N 0 0 516.233 6.148 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764325 553696450 /nfs/dbraw/zinc/69/64/50/553696450.db2.gz CAGOLZBEVXBJJN-OZXSUGGESA-N 0 0 513.407 6.314 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000020764760 553696737 /nfs/dbraw/zinc/69/67/37/553696737.db2.gz NMUNCMRMEQVZEP-UNMCSNQZSA-N 0 0 510.646 7.337 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764929 553696997 /nfs/dbraw/zinc/69/69/97/553696997.db2.gz RXWPPAFQZSDFQF-FYYLOGMGSA-N 0 0 518.224 6.587 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)CC(C)C ZINC000096291208 553744763 /nfs/dbraw/zinc/74/47/63/553744763.db2.gz GTIVENXQIYJYIU-UHFFFAOYSA-N 0 0 529.625 5.507 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(C)=O)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294631 553748140 /nfs/dbraw/zinc/74/81/40/553748140.db2.gz GUNYPIMQKPSOSI-UHFFFAOYSA-N 0 0 525.454 5.749 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccccc2Cl)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096544484 553755552 /nfs/dbraw/zinc/75/55/52/553755552.db2.gz FPCSHFIYAQBJQQ-CCQKTTPVSA-N 0 0 513.085 6.909 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000097944379 553769301 /nfs/dbraw/zinc/76/93/01/553769301.db2.gz GAWSSVXCKHIBIV-CDSIFPFTSA-N 0 0 621.528 8.097 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000097945909 553775379 /nfs/dbraw/zinc/77/53/79/553775379.db2.gz FMXQDPAPAXAXOO-MFOYZWKCSA-N 0 0 633.225 6.903 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1 ZINC000097946092 553776457 /nfs/dbraw/zinc/77/64/57/553776457.db2.gz MGWHHBMAUMENJZ-STZFKDTASA-N 0 0 582.729 5.899 50 10 KKCARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000097946105 553776668 /nfs/dbraw/zinc/77/66/68/553776668.db2.gz LLDNMDNSIZBYGD-JCMHNJIXSA-N 0 0 578.766 6.069 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(F)cc1 ZINC000097946118 553776674 /nfs/dbraw/zinc/77/66/74/553776674.db2.gz VCFIBFBQAZCWLU-HAHDFKILSA-N 0 0 611.145 6.491 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)SC(=S)N1Cc1ccccc1 ZINC000097946274 553777958 /nfs/dbraw/zinc/77/79/58/553777958.db2.gz WMVUTEGIWXJMJI-MOHJPFBDSA-N 0 0 574.131 5.076 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c1 ZINC000097946304 553778169 /nfs/dbraw/zinc/77/81/69/553778169.db2.gz CTGKLUGJFGWFLR-YQYKVWLJSA-N 0 0 613.805 7.488 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c1 ZINC000097946337 553778449 /nfs/dbraw/zinc/77/84/49/553778449.db2.gz OTADIDICMSJQAD-BRPDVVIDSA-N 0 0 569.752 7.089 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000097946340 553778513 /nfs/dbraw/zinc/77/85/13/553778513.db2.gz CAYQYXIJHKLUOG-BRPDVVIDSA-N 0 0 571.743 8.039 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000097946437 553779301 /nfs/dbraw/zinc/77/93/01/553779301.db2.gz BGIXZQUNZOWUAP-TYGBLEFESA-N 0 0 567.758 5.415 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946445 553779492 /nfs/dbraw/zinc/77/94/92/553779492.db2.gz HBXJGBIKWSQVKH-YUMHPJSZSA-N 0 0 610.588 7.663 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000097946536 553780000 /nfs/dbraw/zinc/78/00/00/553780000.db2.gz QOIIXZVWYBVRJZ-DJCFSQPRSA-N 0 0 542.686 5.111 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000097946534 553780012 /nfs/dbraw/zinc/78/00/12/553780012.db2.gz QOIIXZVWYBVRJZ-GEHQTFBCSA-N 0 0 542.686 5.111 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000097946521 553780045 /nfs/dbraw/zinc/78/00/45/553780045.db2.gz BJEJQGRPCQSAQY-KQWNVCNZSA-N 0 0 528.099 6.219 50 10 KKCARN Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)cc1C ZINC000097946530 553780054 /nfs/dbraw/zinc/78/00/54/553780054.db2.gz ZXDIQLRCPNZJJJ-IZHYLOQSSA-N 0 0 548.089 5.714 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)cc1 ZINC000097946583 553780579 /nfs/dbraw/zinc/78/05/79/553780579.db2.gz GVVLWHFDUQOVRM-QPLCGJKRSA-N 0 0 527.671 5.369 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1Cl ZINC000097946660 553781109 /nfs/dbraw/zinc/78/11/09/553781109.db2.gz FZOWCHDQMOHEPC-BRPDVVIDSA-N 0 0 584.145 6.380 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(Cl)cc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946758 553781600 /nfs/dbraw/zinc/78/16/00/553781600.db2.gz FHDGCTUDJNXCPZ-KQWNVCNZSA-N 0 0 616.124 5.652 50 10 KKCARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000097946910 553782103 /nfs/dbraw/zinc/78/21/03/553782103.db2.gz BSCVJEGGPBRALG-BRPDVVIDSA-N 0 0 545.668 6.074 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000097946939 553782330 /nfs/dbraw/zinc/78/23/30/553782330.db2.gz PSMVUIKIRQTLRX-MOSHPQCFSA-N 0 0 578.564 7.970 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1Br ZINC000097946942 553782363 /nfs/dbraw/zinc/78/23/63/553782363.db2.gz WJLHFCUXSBNYCT-ONUIUJJFSA-N 0 0 658.603 6.514 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000097946934 553782366 /nfs/dbraw/zinc/78/23/66/553782366.db2.gz PTZLNSJHPRKBES-COEJQBHMSA-N 0 0 577.109 7.780 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3)SC2=S)cc1OC ZINC000097946949 553782382 /nfs/dbraw/zinc/78/23/82/553782382.db2.gz WACHOIFFBFIUKM-OYKKKHCWSA-N 0 0 630.596 7.888 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc3)SC2=S)cc1OC ZINC000097946954 553782667 /nfs/dbraw/zinc/78/26/67/553782667.db2.gz CHYDYJIJHOOORA-DIBXZPPDSA-N 0 0 561.725 6.664 50 10 KKCARN COc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947047 553783120 /nfs/dbraw/zinc/78/31/20/553783120.db2.gz ZNVVAHOEHHSINQ-BXDIUNCMSA-N 0 0 597.929 6.195 50 10 KKCARN Cc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947059 553783310 /nfs/dbraw/zinc/78/33/10/553783310.db2.gz IEOWVOLURKKBBO-BXDIUNCMSA-N 0 0 581.930 6.495 50 10 KKCARN Cc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947061 553783322 /nfs/dbraw/zinc/78/33/22/553783322.db2.gz VKGBPIIUVQKXGT-FGSNJIQSSA-N 0 0 605.996 6.944 50 10 KKCARN Cc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947058 553783350 /nfs/dbraw/zinc/78/33/50/553783350.db2.gz IEOWVOLURKKBBO-JPFXZVHCSA-N 0 0 581.930 6.495 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1Cl ZINC000097947124 553783891 /nfs/dbraw/zinc/78/38/91/553783891.db2.gz QUIFBXXDOKPKKP-ITYLOYPMSA-N 0 0 578.097 7.175 50 10 KKCARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000097947114 553783910 /nfs/dbraw/zinc/78/39/10/553783910.db2.gz TUJGOEITFDSHAI-BRPDVVIDSA-N 0 0 575.466 7.145 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000097947142 553783916 /nfs/dbraw/zinc/78/39/16/553783916.db2.gz VECFZNJBGYLMOK-SNCSUOKWSA-N 0 0 598.772 8.523 50 10 KKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000097947185 553784523 /nfs/dbraw/zinc/78/45/23/553784523.db2.gz VOAZFKDTADMXNG-USHMODERSA-N 0 0 555.103 7.228 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947218 553784679 /nfs/dbraw/zinc/78/46/79/553784679.db2.gz RPFCRDGTYQBHLR-XYLWXZHPSA-N 0 0 575.759 8.271 50 10 KKCARN COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000097947393 553785755 /nfs/dbraw/zinc/78/57/55/553785755.db2.gz FJQJFISUFQSNGF-ULJHMMPZSA-N 0 0 611.705 5.007 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000097947379 553785857 /nfs/dbraw/zinc/78/58/57/553785857.db2.gz QKGIEFCULNULTI-MTJSOVHGSA-N 0 0 550.017 5.270 50 10 KKCARN Cc1ccc(-c2cc(OC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)cc3sc(=O)oc32)cc1 ZINC000097947582 553787367 /nfs/dbraw/zinc/78/73/67/553787367.db2.gz JZCADOZQOBPQAE-MOSHPQCFSA-N 0 0 539.681 6.088 50 10 KKCARN CC(=O)Nc1ccc(-n2c(CCC(=O)NCCc3cccc(Cl)c3)ccc2-c2ccc(F)cc2)cc1 ZINC000025147489 553795541 /nfs/dbraw/zinc/79/55/41/553795541.db2.gz MTOKRSHTHGHWDG-UHFFFAOYSA-N 0 0 504.005 6.187 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccccc3C)c2C)cc1 ZINC000025389977 553807019 /nfs/dbraw/zinc/80/70/19/553807019.db2.gz QHSRUJXBFLUUKB-UHFFFAOYSA-N 0 0 509.635 6.029 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577217 553810946 /nfs/dbraw/zinc/81/09/46/553810946.db2.gz RSTZNEDDIWXIKK-OZXSUGGESA-N 0 0 505.799 7.204 50 10 KKCARN CCCC(CCC)C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000097951771 553811118 /nfs/dbraw/zinc/81/11/18/553811118.db2.gz YYPVQCWFUMELBO-UHFFFAOYSA-N 0 0 533.737 6.104 50 10 KKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000025579013 553811512 /nfs/dbraw/zinc/81/15/12/553811512.db2.gz WWHNLQSYMLAGRU-NTKDMRAZSA-N 0 0 515.791 6.068 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000025581420 553811730 /nfs/dbraw/zinc/81/17/30/553811730.db2.gz LJTQEHPVYWIYEB-TURZUDJPSA-N 0 0 523.727 7.415 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(C)cc3)C1=N2 ZINC000097952315 553814693 /nfs/dbraw/zinc/81/46/93/553814693.db2.gz QYLXXZXTKVYNSO-NDEPHWFRSA-N 0 0 527.588 6.091 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000026503161 553818899 /nfs/dbraw/zinc/81/88/99/553818899.db2.gz QXXRVXBBFBUDGT-WDUNQMNWSA-N 0 0 506.697 5.592 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000026503392 553818971 /nfs/dbraw/zinc/81/89/71/553818971.db2.gz MDQBIZLGMFTNEB-KCRQWDDMSA-N 0 0 526.772 5.903 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000026580599 553819673 /nfs/dbraw/zinc/81/96/73/553819673.db2.gz ZLSQFBZQWMQOBL-PXRNLIKFSA-N 0 0 514.582 5.779 50 10 KKCARN N=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000026681034 553819942 /nfs/dbraw/zinc/81/99/42/553819942.db2.gz VWPWFOMQGMRTNY-BIYKVKLYSA-N 0 0 501.782 6.574 50 10 KKCARN Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)c1 ZINC000026642045 553819949 /nfs/dbraw/zinc/81/99/49/553819949.db2.gz IWGYIBPRASFLNZ-ZFIZOQOESA-N 0 0 517.010 5.774 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000026965802 553822577 /nfs/dbraw/zinc/82/25/77/553822577.db2.gz QBASBKXLPAUMFQ-UQQQWYQISA-N 0 0 517.672 6.613 50 10 KKCARN CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 ZINC000027015562 553822818 /nfs/dbraw/zinc/82/28/18/553822818.db2.gz OKPAGJWDVDUDSV-WVBRMOFYSA-N 0 0 507.677 5.983 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S ZINC000027018320 553823417 /nfs/dbraw/zinc/82/34/17/553823417.db2.gz GYBCQWBBIWFIKJ-ITYLOYPMSA-N 0 0 503.737 7.753 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000027018232 553823463 /nfs/dbraw/zinc/82/34/63/553823463.db2.gz XDNWOTUGRFMOEG-XKZIYDEJSA-N 0 0 508.625 5.703 50 10 KKCARN CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000027025543 553824578 /nfs/dbraw/zinc/82/45/78/553824578.db2.gz QRNBUVSNUBHJDV-XGHXRCDJSA-N 0 0 515.871 5.612 50 10 KKCARN CCc1ccc(Sc2c(F)c3c(c(F)c2Sc2ccc(CC)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000027467312 553825527 /nfs/dbraw/zinc/82/55/27/553825527.db2.gz KQPDSPXFEPBAKO-UHFFFAOYSA-N 0 0 516.634 8.167 50 10 KKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027519429 553826588 /nfs/dbraw/zinc/82/65/88/553826588.db2.gz ORTQVBNFFPTFON-RELWKKBWSA-N 0 0 511.002 7.871 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1Br ZINC000027519471 553826644 /nfs/dbraw/zinc/82/66/44/553826644.db2.gz ROYBFXATLGRGAU-QGOAFFKASA-N 0 0 511.213 6.692 50 10 KKCARN Cc1ccc(Cl)cc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Br ZINC000027520814 553827073 /nfs/dbraw/zinc/82/70/73/553827073.db2.gz XDGYQCZXMGCRCR-OEAKJJBVSA-N 0 0 512.835 5.887 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000027533928 553832318 /nfs/dbraw/zinc/83/23/18/553832318.db2.gz VMHLMOHQTDOVGW-CCYMOEEVSA-N 0 0 500.983 5.732 50 10 KKCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2)c1 ZINC000027549343 553833593 /nfs/dbraw/zinc/83/35/93/553833593.db2.gz MOSUKNWUQWJUQP-AEVKUXSFSA-N 0 0 512.591 5.015 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000027549353 553833602 /nfs/dbraw/zinc/83/36/02/553833602.db2.gz DGVIBTJINRJUMY-APUKAWEPSA-N 0 0 512.591 5.129 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000027549318 553833603 /nfs/dbraw/zinc/83/36/03/553833603.db2.gz VZMUOAGSEWXPFN-VKRJAPGXSA-N 0 0 506.628 5.579 50 10 KKCARN Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000027549705 553833786 /nfs/dbraw/zinc/83/37/86/553833786.db2.gz VLDVYVJMLUHPGB-WJOFZGQRSA-N 0 0 502.640 5.961 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OC ZINC000027549847 553834105 /nfs/dbraw/zinc/83/41/05/553834105.db2.gz NMGMQGNYTGZJFI-BOOZCHQZSA-N 0 0 520.655 5.942 50 10 KKCARN N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000027549755 553834109 /nfs/dbraw/zinc/83/41/09/553834109.db2.gz BLHCFXKZKAJJQM-GDFSPLMZSA-N 0 0 509.031 5.997 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 ZINC000027549824 553834112 /nfs/dbraw/zinc/83/41/12/553834112.db2.gz IHFGKMXXJYWWIE-CSEHATQYSA-N 0 0 520.655 5.689 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000027549907 553834361 /nfs/dbraw/zinc/83/43/61/553834361.db2.gz QHNAMWWMHMLMRP-AQRUSWPISA-N 0 0 527.046 5.698 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C ZINC000029493382 553846377 /nfs/dbraw/zinc/84/63/77/553846377.db2.gz JSOHREOXQZZOBA-OFWBYEQRSA-N 0 0 635.815 7.230 50 10 KKCARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 ZINC000097957669 553847488 /nfs/dbraw/zinc/84/74/88/553847488.db2.gz ODTZHYWVDHCLIK-XSVYLIDLSA-N 0 0 629.761 7.046 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097957727 553847653 /nfs/dbraw/zinc/84/76/53/553847653.db2.gz XLWKPSKBNNZOIH-HYARGMPZSA-N 0 0 555.856 6.683 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(OC)cc3N(C(=O)/C=C/c3ccc(OC)cc3)C(C)(C)C2=S)S1 ZINC000097957704 553847726 /nfs/dbraw/zinc/84/77/26/553847726.db2.gz KQEUZTMJDBEXQC-NTEUORMPSA-N 0 0 597.736 5.619 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 ZINC000097957744 553848149 /nfs/dbraw/zinc/84/81/49/553848149.db2.gz UTCQSOGJUFKILE-UWLIKACGSA-N 0 0 570.671 5.754 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)ccc3OCCOc3ccc(C4CCCCC4)cc3)C2=N)S1 ZINC000097957769 553848181 /nfs/dbraw/zinc/84/81/81/553848181.db2.gz PCMXHTHPASMLAR-QTBHNWRYSA-N 0 0 537.085 6.875 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000097957818 553848815 /nfs/dbraw/zinc/84/88/15/553848815.db2.gz GHSPBTDTQOYONY-JZUBHEMNSA-N 0 0 526.618 5.437 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097957895 553849473 /nfs/dbraw/zinc/84/94/73/553849473.db2.gz XNRJNXIDNMDZBU-FYJGNVAPSA-N 0 0 546.895 7.096 50 10 KKCARN CCc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000097957905 553849549 /nfs/dbraw/zinc/84/95/49/553849549.db2.gz CMFPTZLKYMUXMS-FBYMBKKWSA-N 0 0 539.705 6.791 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc([C@@H](C)CC)cc1 ZINC000097958046 553850890 /nfs/dbraw/zinc/85/08/90/553850890.db2.gz CBZBDQQFGVZDNC-YTWDJBGZSA-N 0 0 547.742 7.853 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000097958136 553851486 /nfs/dbraw/zinc/85/14/86/553851486.db2.gz VCYRPOSLWUMBJI-JCGMMJEUSA-N 0 0 534.956 5.374 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097958604 553856164 /nfs/dbraw/zinc/85/61/64/553856164.db2.gz UFPZEEYEAGTBOS-SGWCAAJKSA-N 0 0 547.742 7.637 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N=C3SC(CC(C)C)=NN3C2=N)cc1OC ZINC000097958949 553858996 /nfs/dbraw/zinc/85/89/96/553858996.db2.gz WECOLLSQSPDKLI-UJSLHMCQSA-N 0 0 534.682 6.332 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097959232 553862064 /nfs/dbraw/zinc/86/20/64/553862064.db2.gz BPAXGFBWAKRKDQ-IVWMXWNPSA-N 0 0 618.497 5.875 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000032099468 553862341 /nfs/dbraw/zinc/86/23/41/553862341.db2.gz NTNLNRWTVOGJOG-UCQKPKSFSA-N 0 0 504.970 5.910 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc([C@H](C)CC)cc1 ZINC000097959423 553863612 /nfs/dbraw/zinc/86/36/12/553863612.db2.gz FWEZWBONQAIKGE-GRVPHDJPSA-N 0 0 550.540 6.650 50 10 KKCARN O=c1c2cc3c(cc2c(=O)n1-c1ccc(/N=N/c2ccccc2)cc1)c(=O)n(-c1ccc(/N=N/c2ccccc2)cc1)c3=O ZINC000097960215 553869291 /nfs/dbraw/zinc/86/92/91/553869291.db2.gz PJWAFIVEWINPRW-ATXIYDNESA-N 0 0 576.572 6.722 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000097960448 553871647 /nfs/dbraw/zinc/87/16/47/553871647.db2.gz ORXMOWRJAHMYRS-XKZIYDEJSA-N 0 0 561.498 6.522 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000097961874 553881147 /nfs/dbraw/zinc/88/11/47/553881147.db2.gz KPZVREBZBATXPM-UJIQIQPRSA-N 0 0 572.643 5.250 50 10 KKCARN N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000032964428 553882451 /nfs/dbraw/zinc/88/24/51/553882451.db2.gz JFMFDKQANILURC-BXTFPGOLSA-N 0 0 500.584 5.221 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OCC)c3)S2)cc1 ZINC000097962640 553884893 /nfs/dbraw/zinc/88/48/93/553884893.db2.gz SRLLXJKLDCWLDD-JLPGSUDCSA-N 0 0 553.478 6.908 50 10 KKCARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040536 553893547 /nfs/dbraw/zinc/89/35/47/553893547.db2.gz UTMUOTJUDACOJY-GDLZYMKVSA-N 0 0 510.707 7.183 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c(C)c1 ZINC000033040591 553893785 /nfs/dbraw/zinc/89/37/85/553893785.db2.gz WDMRTNHKKDQABM-LJAQVGFWSA-N 0 0 510.707 7.238 50 10 KKCARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040555 553893797 /nfs/dbraw/zinc/89/37/97/553893797.db2.gz IDDMVSHGCPXHQT-GDLZYMKVSA-N 0 0 510.707 7.238 50 10 KKCARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040610 553893931 /nfs/dbraw/zinc/89/39/31/553893931.db2.gz AQLKGWSQKOJXNW-GDLZYMKVSA-N 0 0 526.706 6.938 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(C)c1C)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051197 553895920 /nfs/dbraw/zinc/89/59/20/553895920.db2.gz HFCHYEWXWKKKPV-WJOKGBTCSA-N 0 0 530.676 6.791 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000097964122 553896556 /nfs/dbraw/zinc/89/65/56/553896556.db2.gz JMTALFAUIREJRJ-UDWIEESQSA-N 0 0 560.516 6.761 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)cc1C ZINC000097964340 553897482 /nfs/dbraw/zinc/89/74/82/553897482.db2.gz FQIUDJMKLVIQSG-BVGLBJDRSA-N 0 0 565.724 6.847 50 10 KKCARN Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1 ZINC000097964931 553901953 /nfs/dbraw/zinc/90/19/53/553901953.db2.gz UPSMESCKIVQPEH-BUSCPJTRSA-N 0 0 563.683 6.425 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000097965942 553906521 /nfs/dbraw/zinc/90/65/21/553906521.db2.gz AQYOEJQRKMPJKM-UHFFFAOYSA-N 0 0 543.663 5.649 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000097966214 553907674 /nfs/dbraw/zinc/90/76/74/553907674.db2.gz BWJRKLKRBQJNLK-OEAKJJBVSA-N 0 0 530.498 7.373 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OC)ccc3N(C(=O)/C=C/c3ccccc3)C(C)(C)C2=S)S1 ZINC000097966353 553908440 /nfs/dbraw/zinc/90/84/40/553908440.db2.gz DVQISHKFOFYEGK-DTQAZKPQSA-N 0 0 595.764 6.390 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000097966380 553908686 /nfs/dbraw/zinc/90/86/86/553908686.db2.gz IZPXTLATNSTUSF-JCMHNJIXSA-N 0 0 575.703 6.935 50 10 KKCARN O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCCc2ccccc21 ZINC000033168186 553911800 /nfs/dbraw/zinc/91/18/00/553911800.db2.gz RTZPAEBVAVOCIA-XHLNEMQHSA-N 0 0 509.609 6.840 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)cc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266832 553917495 /nfs/dbraw/zinc/91/74/95/553917495.db2.gz JUYPQESONDKTMZ-PMERELPUSA-N 0 0 516.649 6.483 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCCc1ccccc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266854 553917509 /nfs/dbraw/zinc/91/75/09/553917509.db2.gz RTHURSFYGPPIKQ-HKBQPEDESA-N 0 0 530.676 5.895 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(C)c1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266837 553917575 /nfs/dbraw/zinc/91/75/75/553917575.db2.gz OFQLPUZUVWRYCJ-SSEXGKCCSA-N 0 0 516.649 6.483 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(F)c1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266860 553917570 /nfs/dbraw/zinc/91/75/70/553917570.db2.gz ASLJMDPSAPGFJL-LJAQVGFWSA-N 0 0 520.612 6.314 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1C)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266835 553917578 /nfs/dbraw/zinc/91/75/78/553917578.db2.gz ZYKRHJTUXWRUNU-SSEXGKCCSA-N 0 0 516.649 6.483 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)cc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266833 553917587 /nfs/dbraw/zinc/91/75/87/553917587.db2.gz JUYPQESONDKTMZ-SSEXGKCCSA-N 0 0 516.649 6.483 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccc(C)cc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266853 553917611 /nfs/dbraw/zinc/91/76/11/553917611.db2.gz GTTLOXCRJTYMTH-WJOKGBTCSA-N 0 0 530.676 6.161 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3ccc(OC)cc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000033345059 553921871 /nfs/dbraw/zinc/92/18/71/553921871.db2.gz NANDRRDPCFZPKW-LKUDQCMESA-N 0 0 511.690 6.291 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000033351046 553922537 /nfs/dbraw/zinc/92/25/37/553922537.db2.gz ZWVMKXAMWBFUJP-YZSQISJMSA-N 0 0 511.672 6.648 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 ZINC000033353124 553923119 /nfs/dbraw/zinc/92/31/19/553923119.db2.gz SSFAFBRLQLHNAE-MWDFCAMCSA-N 0 0 579.897 7.040 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4I)c(OC)c3)SC2=S)cc1 ZINC000033353390 553924750 /nfs/dbraw/zinc/92/47/50/553924750.db2.gz VYEYDRSHZKUZEF-HMAPJEAMSA-N 0 0 603.459 5.933 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097967918 553924972 /nfs/dbraw/zinc/92/49/72/553924972.db2.gz BEBLYQVUMQWHKH-HYARGMPZSA-N 0 0 518.853 6.699 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)c2cccs2)cc1 ZINC000033355094 553932817 /nfs/dbraw/zinc/93/28/17/553932817.db2.gz NBWKZIULNRLJIP-SANMLTNESA-N 0 0 553.087 6.968 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)c2cccs2)cc1 ZINC000033355096 553933217 /nfs/dbraw/zinc/93/32/17/553933217.db2.gz NBWKZIULNRLJIP-AREMUKBSSA-N 0 0 553.087 6.968 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000033358529 553956374 /nfs/dbraw/zinc/95/63/74/553956374.db2.gz QQNUVMRXVVLAAU-LLXISZFLSA-N 0 0 637.733 5.499 50 10 KKCARN COc1cc(C=O)ccc1OCc1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000033358618 553957029 /nfs/dbraw/zinc/95/70/29/553957029.db2.gz ANFWAZLTPBOVTL-FDAWAROLSA-N 0 0 597.714 7.080 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000033358646 553957298 /nfs/dbraw/zinc/95/72/98/553957298.db2.gz IOHJUPIZILKNJP-XDHOZWIPSA-N 0 0 546.489 6.453 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(Br)cc4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097970870 553959194 /nfs/dbraw/zinc/95/91/94/553959194.db2.gz WRXJZABTRHJBGO-UCIQFCIPSA-N 0 0 625.636 6.377 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(F)cc4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097970872 553959255 /nfs/dbraw/zinc/95/92/55/553959255.db2.gz YTUKXEVITIRQKC-UCIQFCIPSA-N 0 0 564.730 5.754 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccccc4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097970871 553959258 /nfs/dbraw/zinc/95/92/58/553959258.db2.gz ZPUCTMFNERYKMJ-WJTIWLFGSA-N 0 0 546.740 5.615 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971219 553961644 /nfs/dbraw/zinc/96/16/44/553961644.db2.gz QVTDIRLIHNBIHW-MCMSANRSSA-N 0 0 668.263 7.710 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000033772204 553972945 /nfs/dbraw/zinc/97/29/45/553972945.db2.gz SOJKNODNUAKZLB-PFBJBMPXSA-N 0 0 526.032 6.397 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000033772205 553972952 /nfs/dbraw/zinc/97/29/52/553972952.db2.gz SOJKNODNUAKZLB-ZONZVBGPSA-N 0 0 526.032 6.397 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000033893176 553976093 /nfs/dbraw/zinc/97/60/93/553976093.db2.gz RZAKOMBVLCDMMK-PKTNWEFCSA-N 0 0 519.528 5.744 50 10 KKCARN Cc1cc(C(=O)CSC2=NC(=Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000097979122 553976654 /nfs/dbraw/zinc/97/66/54/553976654.db2.gz VYNVKLVYJQDQRG-MNBJERMJSA-N 0 0 615.721 8.905 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1C ZINC000034107841 553980577 /nfs/dbraw/zinc/98/05/77/553980577.db2.gz GLPULRNQIITRAB-JJIBRWJFSA-N 0 0 507.681 5.874 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000034106207 553980584 /nfs/dbraw/zinc/98/05/84/553980584.db2.gz JSLJXOHLTXSNGF-NHFJDJAPSA-N 0 0 525.699 6.772 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979990 553984264 /nfs/dbraw/zinc/98/42/64/553984264.db2.gz OCKBIWXCNUZBMP-OADVICDNSA-N 0 0 558.726 7.174 50 10 KKCARN O=C(COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2csc3c2CCCC3)C1=O)Nc1ccc(Cl)cc1 ZINC000097981080 553991839 /nfs/dbraw/zinc/99/18/39/553991839.db2.gz RQZHUCJNYOPPGN-QRVIBDJDSA-N 0 0 584.144 5.844 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000034716260 553995343 /nfs/dbraw/zinc/99/53/43/553995343.db2.gz JOIHQDPYNAAEPU-ZNZIZOMTSA-N 0 0 513.996 6.528 50 10 KKCARN CCN(CC)c1ccc([C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000097981657 553995996 /nfs/dbraw/zinc/99/59/96/553995996.db2.gz VABLDSNMEBUHAZ-SANMLTNESA-N 0 0 557.522 7.327 50 10 KKCARN CCN(CC)c1ccc([C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000097981656 553996016 /nfs/dbraw/zinc/99/60/16/553996016.db2.gz VABLDSNMEBUHAZ-AREMUKBSSA-N 0 0 557.522 7.327 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983224 554007969 /nfs/dbraw/zinc/00/79/69/554007969.db2.gz BADOSCREKVTTDG-KHRWHRTMSA-N 0 0 557.536 7.018 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(Br)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983441 554009365 /nfs/dbraw/zinc/00/93/65/554009365.db2.gz GDQNSGXDBZMJDD-POLLDRIHSA-N 0 0 557.536 7.018 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000034853362 554021385 /nfs/dbraw/zinc/02/13/85/554021385.db2.gz RXYKIVFKTORNFK-DIBXZPPDSA-N 0 0 519.557 6.407 50 10 KKCARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000034890632 554023374 /nfs/dbraw/zinc/02/33/74/554023374.db2.gz RTVQQKVUALBKIQ-UNOMPAQXSA-N 0 0 508.017 5.095 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)c3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097994470 554032029 /nfs/dbraw/zinc/03/20/29/554032029.db2.gz YUAZCQISIPPZNB-UHFFFAOYSA-N 0 0 575.733 6.663 50 10 KKCARN CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(O)c4c3C(=O)c3c(NC(=O)c5ccc(C6CCC(CCCCC)CC6)cc5)ccc(O)c3C4=O)cc2)CC1 ZINC000097997134 554039827 /nfs/dbraw/zinc/03/98/27/554039827.db2.gz MHTJSBASPQJBPN-UHFFFAOYSA-N 0 0 783.022 12.086 50 10 KKCARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000097998598 554041723 /nfs/dbraw/zinc/04/17/23/554041723.db2.gz RHQHCDOHRUPKKY-FSJBWODESA-N 0 0 516.471 7.618 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035387295 554047217 /nfs/dbraw/zinc/04/72/17/554047217.db2.gz BVSANMKORWGNLV-CYXNTTPDSA-N 0 0 513.996 6.528 50 10 KKCARN Cc1[nH]c2cc(OC(F)(F)F)ccc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000098005128 554057172 /nfs/dbraw/zinc/05/71/72/554057172.db2.gz KNQIULAPDBWPJJ-UHFFFAOYSA-N 0 0 537.450 5.031 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000035779987 554074695 /nfs/dbraw/zinc/07/46/95/554074695.db2.gz QPYBGAJHDQJFEI-DYIKCSJPSA-N 0 0 511.577 6.012 50 10 biogenic KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)CC(C)(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000098010826 554074887 /nfs/dbraw/zinc/07/48/87/554074887.db2.gz OTEKTLKXASBWFM-UHFFFAOYSA-N 0 0 545.746 5.680 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000098010825 554074910 /nfs/dbraw/zinc/07/49/10/554074910.db2.gz PQAQMUNXOYPRHL-UHFFFAOYSA-N 0 0 557.738 5.619 50 10 KKCARN COc1ccc(OC)c(-n2c(C)c(C(=O)NC(c3ccccc3)c3ccccc3)cc2-c2ccccc2)c1 ZINC000035829031 554079321 /nfs/dbraw/zinc/07/93/21/554079321.db2.gz FWHZEQRUIDCQTJ-UHFFFAOYSA-N 0 0 502.614 6.989 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000035851486 554083627 /nfs/dbraw/zinc/08/36/27/554083627.db2.gz RMFNDXKXJHGKTF-NLDZOOGBSA-N 0 0 514.556 5.845 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3c(ccc4cccnc43)C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000035851814 554083632 /nfs/dbraw/zinc/08/36/32/554083632.db2.gz PADBCLIUPRFJSW-XQFUHLNNSA-N 0 0 514.581 5.656 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CSc4nnc(-c5ccccc5Cl)n4-c4cc(Cl)ccc4C)n3)CC2)cc1 ZINC000098017559 554109101 /nfs/dbraw/zinc/10/91/01/554109101.db2.gz ODWNXVFSSBPMDE-UHFFFAOYSA-N 0 0 651.645 7.269 50 10 KKCARN Cc1c(C(=O)N2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000098019777 554114503 /nfs/dbraw/zinc/11/45/03/554114503.db2.gz WUVDZWWLSDWDEU-UHFFFAOYSA-N 0 0 575.482 6.653 50 10 KKCARN CCCCCC1CCC(C(=O)Nc2ccc(NC(=O)C3CCC(CCCCC)CC3)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC000098044741 554129479 /nfs/dbraw/zinc/12/94/79/554129479.db2.gz SOXLXXSZMUAZKZ-UHFFFAOYSA-N 0 0 598.828 9.112 50 10 KKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)O1 ZINC000098044782 554129782 /nfs/dbraw/zinc/12/97/82/554129782.db2.gz ONLPPVHVFDNXPB-UHFFFAOYSA-N 0 0 632.232 5.721 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000098047136 554147103 /nfs/dbraw/zinc/14/71/03/554147103.db2.gz SVYZBUPQXBFNPM-UHFFFAOYSA-N 0 0 529.566 6.442 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(OC)c3)c2C(=O)Nc2ccccc2OCC)C1 ZINC000098048250 554160737 /nfs/dbraw/zinc/16/07/37/554160737.db2.gz VUWSCZCRMSDACY-UHFFFAOYSA-N 0 0 539.654 5.543 50 10 KKCARN O=C1/C(=C\c2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000100004777 554177757 /nfs/dbraw/zinc/17/77/57/554177757.db2.gz OLWXKOUJNVGLIW-HMAPJEAMSA-N 0 0 525.431 6.888 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000100040831 554192119 /nfs/dbraw/zinc/19/21/19/554192119.db2.gz REIVJOKIIWKOLH-AFVORURQSA-N 0 0 546.675 6.666 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2)cc1 ZINC000100041096 554192196 /nfs/dbraw/zinc/19/21/96/554192196.db2.gz YWKLQUQCPYAYQE-YWQXDYITSA-N 0 0 580.692 7.407 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000100040848 554192228 /nfs/dbraw/zinc/19/22/28/554192228.db2.gz DVKHSXJEOVWDGM-YAGSLNJISA-N 0 0 532.648 6.357 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000100102267 554219998 /nfs/dbraw/zinc/21/99/98/554219998.db2.gz MQQMOPYGMIGFPL-VXLYETTFSA-N 0 0 531.874 6.874 50 10 KKCARN CCc1ccc(OCC(=O)N2c3cc(C)c(C)cc3C(=C3SC(C(=O)OC)=C(C(=O)OC)S3)C(=S)C2(C)C)cc1 ZINC000100116490 554223827 /nfs/dbraw/zinc/22/38/27/554223827.db2.gz ASQBGCWLEAKJBB-UHFFFAOYSA-N 0 0 597.780 6.146 50 10 KKCARN CCCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000100164571 554235854 /nfs/dbraw/zinc/23/58/54/554235854.db2.gz IZYJPLUCNTVHMC-KQWNVCNZSA-N 0 0 538.522 6.190 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037422503 554243197 /nfs/dbraw/zinc/24/31/97/554243197.db2.gz AWIUGYOUELPRGY-UHFFFAOYSA-N 0 0 531.719 5.290 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1cccs1 ZINC000037424000 554243900 /nfs/dbraw/zinc/24/39/00/554243900.db2.gz YSFUMNHPLDDCHI-FQEVSTJZSA-N 0 0 530.712 5.812 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100190092 554244482 /nfs/dbraw/zinc/24/44/82/554244482.db2.gz LINFJLNNRNZQMD-HRIDGTDGSA-N 0 0 557.691 5.468 50 10 KKCARN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260389 554265542 /nfs/dbraw/zinc/26/55/42/554265542.db2.gz VHCBOHWONRFFPU-NHDPSOOVSA-N 0 0 611.327 7.470 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000100268809 554268469 /nfs/dbraw/zinc/26/84/69/554268469.db2.gz CERFDXQKYFPUDM-JLPGSUDCSA-N 0 0 542.078 6.216 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100269820 554268904 /nfs/dbraw/zinc/26/89/04/554268904.db2.gz XRXYRLRSTGJZLW-BWAHOGKJSA-N 0 0 554.133 7.510 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cccc(OCc5ccc(Cl)cc5Cl)c4)C3=N)S2)cc1 ZINC000100272733 554270324 /nfs/dbraw/zinc/27/03/24/554270324.db2.gz SBVZQCVWYPKEEA-OAJDIEPYSA-N 0 0 521.429 6.548 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(CCCCCCN3C(=O)/C(=C\c4ccc(O)c(OC)c4)SC3=S)C2=O)ccc1O ZINC000100298181 554289385 /nfs/dbraw/zinc/28/93/85/554289385.db2.gz FFSSPDCUTNQHHZ-DFEHQXHXSA-N 0 0 616.808 5.778 50 10 KKCARN COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000100300036 554290564 /nfs/dbraw/zinc/29/05/64/554290564.db2.gz MVGRPLQTXHCNKM-YRDQYSPCSA-N 0 0 531.699 7.174 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000041076347 554292051 /nfs/dbraw/zinc/29/20/51/554292051.db2.gz LEWVWWBYHQZVNH-VHLAIDERSA-N 0 0 500.455 6.600 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1OC ZINC000100308593 554297255 /nfs/dbraw/zinc/29/72/55/554297255.db2.gz UNBCVPRCQHBWDZ-MYYYXRDXSA-N 0 0 580.640 5.284 50 10 KKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)c3ccccc3Cl)cc1C2=O)c1ccccc1Cl ZINC000043190986 554297811 /nfs/dbraw/zinc/29/78/11/554297811.db2.gz LDLOBKCZWUTYDG-UHFFFAOYSA-N 0 0 515.352 6.273 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000100314896 554302421 /nfs/dbraw/zinc/30/24/21/554302421.db2.gz DKGPADMPRRILOY-TURZUDJPSA-N 0 0 543.735 7.421 50 10 KKCARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000100319707 554304203 /nfs/dbraw/zinc/30/42/03/554304203.db2.gz MFPWBKGEZLUNER-KEBDBYFISA-N 0 0 537.446 7.598 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 ZINC000100321217 554305445 /nfs/dbraw/zinc/30/54/45/554305445.db2.gz OCNAFGJIWHCSJT-FYJGNVAPSA-N 0 0 570.446 5.483 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000100323415 554307236 /nfs/dbraw/zinc/30/72/36/554307236.db2.gz TVVSKCVOKKJLDQ-FSJBWODESA-N 0 0 560.922 7.404 50 10 KKCARN CCCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000100324527 554308650 /nfs/dbraw/zinc/30/86/50/554308650.db2.gz NRYIPDDIZOIIPX-XDHOZWIPSA-N 0 0 539.460 6.111 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100327407 554310664 /nfs/dbraw/zinc/31/06/64/554310664.db2.gz ZFZASVINJSFIBJ-WYMPLXKRSA-N 0 0 530.498 7.604 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100338400 554322534 /nfs/dbraw/zinc/32/25/34/554322534.db2.gz PIUGPSDGRXZJRQ-LUOAPIJWSA-N 0 0 606.810 6.266 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S ZINC000100339112 554323849 /nfs/dbraw/zinc/32/38/49/554323849.db2.gz MQFDRJQOZXBGAD-CIAFOILYSA-N 0 0 609.336 7.344 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Br)cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Br)cc1 ZINC000049766446 554325424 /nfs/dbraw/zinc/32/54/24/554325424.db2.gz GVYJEWXRTMQIEE-AJQTZOPKSA-N 0 0 717.413 8.440 50 10 KKCARN CC(C)c1ccc([C@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(C(C)C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000049766783 554325668 /nfs/dbraw/zinc/32/56/68/554325668.db2.gz RFPMEPBFMUZGMY-QPPIDDCLSA-N 0 0 643.783 9.162 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000100342702 554327799 /nfs/dbraw/zinc/32/77/99/554327799.db2.gz DIQJJXOPKXOFSZ-DHRITJCHSA-N 0 0 577.728 5.162 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000050860301 554327827 /nfs/dbraw/zinc/32/78/27/554327827.db2.gz HLPRQLFHRRXEIB-JCMHNJIXSA-N 0 0 535.741 6.630 50 10 KKCARN COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100357300 554338079 /nfs/dbraw/zinc/33/80/79/554338079.db2.gz AMTALGOZKSOJJX-VGOFMYFVSA-N 0 0 530.219 5.534 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053362873 554345471 /nfs/dbraw/zinc/34/54/71/554345471.db2.gz FIVXQSCFMBHISA-GGAORHGYSA-N 0 0 500.234 6.448 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053362869 554345521 /nfs/dbraw/zinc/34/55/21/554345521.db2.gz FIVXQSCFMBHISA-FYYLOGMGSA-N 0 0 500.234 6.448 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363113 554345816 /nfs/dbraw/zinc/34/58/16/554345816.db2.gz CWQWMEPNDBDINV-LADGPHEKSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363892 554346070 /nfs/dbraw/zinc/34/60/70/554346070.db2.gz UGLRRYUSDNLOKW-IRLDBZIGSA-N 0 0 555.097 7.447 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363708 554346148 /nfs/dbraw/zinc/34/61/48/554346148.db2.gz CKTNIYULMHWDFR-UNMCSNQZSA-N 0 0 565.103 6.902 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363701 554346239 /nfs/dbraw/zinc/34/62/39/554346239.db2.gz CKTNIYULMHWDFR-RBBKRZOGSA-N 0 0 565.103 6.902 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364052 554346519 /nfs/dbraw/zinc/34/65/19/554346519.db2.gz FEAXVVLFEZZYBU-KCWPFWIISA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363988 554346485 /nfs/dbraw/zinc/34/64/85/554346485.db2.gz MWKAKCXMWGSUEV-GJZUVCINSA-N 0 0 511.416 5.793 50 10 KKCARN COc1ccc(Br)cc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Br)ccc2O)N1 ZINC000053364114 554346672 /nfs/dbraw/zinc/34/66/72/554346672.db2.gz OHJZBWPCQYHKJM-DVECYGJZSA-N 0 0 560.242 5.877 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364305 554347006 /nfs/dbraw/zinc/34/70/06/554347006.db2.gz PYUNEZIHCYKYNM-LADGPHEKSA-N 0 0 548.250 6.678 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364357 554347054 /nfs/dbraw/zinc/34/70/54/554347054.db2.gz XBTOEHPNJCAMMY-LADGPHEKSA-N 0 0 532.251 6.841 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364765 554347336 /nfs/dbraw/zinc/34/73/36/554347336.db2.gz YEXOXMYBKKNEMF-WIOPSUGQSA-N 0 0 544.287 6.711 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)cc1C ZINC000100363353 554347517 /nfs/dbraw/zinc/34/75/17/554347517.db2.gz HATFDOGINKRLMX-FOKLQQMPSA-N 0 0 579.368 8.358 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364949 554347660 /nfs/dbraw/zinc/34/76/60/554347660.db2.gz ZVKCXJKAQZQBJU-QPPBQGQZSA-N 0 0 548.250 6.678 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100398915 554372269 /nfs/dbraw/zinc/37/22/69/554372269.db2.gz AYYFEDJGRSSGQD-LPYMAVHISA-N 0 0 543.522 7.414 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000100414646 554379618 /nfs/dbraw/zinc/37/96/18/554379618.db2.gz ZHLMLDWNAFNFSN-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000100415067 554380542 /nfs/dbraw/zinc/38/05/42/554380542.db2.gz IXOYMYPAEHFQCB-ACRUOGEOSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100415666 554382227 /nfs/dbraw/zinc/38/22/27/554382227.db2.gz JVIKEENCFNEITG-SDHOMARFSA-N 0 0 507.929 5.188 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc([C@@H](C)CC)cc1 ZINC000059211774 554385065 /nfs/dbraw/zinc/38/50/65/554385065.db2.gz UFZTXYBIDXXQIZ-KKSLMDIGSA-N 0 0 596.214 8.502 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](C=Cc1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000100417632 554385118 /nfs/dbraw/zinc/38/51/18/554385118.db2.gz SZHOIQKBLFLKSG-FWPFRTNRSA-N 0 0 518.352 5.029 50 10 KKCARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100425350 554386420 /nfs/dbraw/zinc/38/64/20/554386420.db2.gz SHVQVTXCVUTPDW-UBOZLPQGSA-N 0 0 513.641 7.617 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426408 554388075 /nfs/dbraw/zinc/38/80/75/554388075.db2.gz PFGQXRLMDUQAPJ-VWLRAHFJSA-N 0 0 601.747 8.414 50 10 KKCARN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000100430189 554390957 /nfs/dbraw/zinc/39/09/57/554390957.db2.gz CJKIEGHHHBYPLU-JFLMPSFJSA-N 0 0 520.633 5.689 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccccc4I)c3)SC2=S)cc1 ZINC000100545481 554413740 /nfs/dbraw/zinc/41/37/40/554413740.db2.gz KYIGOESTFPXIHG-STZFKDTASA-N 0 0 573.433 5.925 50 10 KKCARN CCOc1cccc2c1N(C(=O)c1ccc(C)cc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000059824553 554431807 /nfs/dbraw/zinc/43/18/07/554431807.db2.gz NYDIFPWREUXGCR-UHFFFAOYSA-N 0 0 569.726 5.909 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100617754 554432834 /nfs/dbraw/zinc/43/28/34/554432834.db2.gz RRFHYOZWCRZYIT-BIWBSIMWSA-N 0 0 546.092 5.168 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000100642134 554436044 /nfs/dbraw/zinc/43/60/44/554436044.db2.gz JJBPOSKHGLIUNW-PBNWBVSQSA-N 0 0 599.551 6.848 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000100653778 554437368 /nfs/dbraw/zinc/43/73/68/554437368.db2.gz MSDMIMDLXZDNPM-JZSRTLTASA-N 0 0 543.443 5.191 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)c(OCC)c3)C2=N)S1 ZINC000100656677 554437889 /nfs/dbraw/zinc/43/78/89/554437889.db2.gz XHAQZIOCXVANOX-NXIAONNKSA-N 0 0 534.682 6.260 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1cccc(OC)c1 ZINC000100656763 554437927 /nfs/dbraw/zinc/43/79/27/554437927.db2.gz WTXQPNRVXDLJCQ-HHTSZTKCSA-N 0 0 587.496 5.589 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc([C@H](C)CC)cc3)C2=N)S1 ZINC000100656737 554437939 /nfs/dbraw/zinc/43/79/39/554437939.db2.gz UFNNUKPWOCWBFB-XZTUVXLSSA-N 0 0 569.525 6.840 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000100665934 554439982 /nfs/dbraw/zinc/43/99/82/554439982.db2.gz JWYUVKHMVNKPJE-PMERELPUSA-N 0 0 592.168 7.140 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100666778 554440198 /nfs/dbraw/zinc/44/01/98/554440198.db2.gz NSAQRWANASRJTB-XRDLGFTLSA-N 0 0 586.636 6.772 50 10 KKCARN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21 ZINC000100666652 554440212 /nfs/dbraw/zinc/44/02/12/554440212.db2.gz AZDNMFNZNZGMNJ-BJCLYQDPSA-N 0 0 539.583 6.415 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000100703078 554452502 /nfs/dbraw/zinc/45/25/02/554452502.db2.gz WAUXDRMTPJUKAE-UGKGYDQZSA-N 0 0 534.635 6.813 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)cc3)C2=N)S1 ZINC000100710507 554453244 /nfs/dbraw/zinc/45/32/44/554453244.db2.gz NABXLPUOBRDLEF-ARJKYRGMSA-N 0 0 527.444 5.716 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000100710475 554453350 /nfs/dbraw/zinc/45/33/50/554453350.db2.gz OBRLAYULUUVWLS-KUMDLULQSA-N 0 0 526.618 5.437 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000100710527 554453586 /nfs/dbraw/zinc/45/35/86/554453586.db2.gz RLICLHBKTJCJMO-HEVMCXDHSA-N 0 0 540.645 5.632 50 10 KKCARN CN(C)c1ccc([C@@H](Nc2ccc(Br)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000100714758 554454582 /nfs/dbraw/zinc/45/45/82/554454582.db2.gz LPENRONQFOMACV-MHZLTWQESA-N 0 0 537.394 7.977 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000100760169 554467460 /nfs/dbraw/zinc/46/74/60/554467460.db2.gz KONJVISIWJNCQK-BPTDDQHESA-N 0 0 533.719 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O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101482356 554784658 /nfs/dbraw/zinc/78/46/58/554784658.db2.gz QDQSFUMAWCMQIU-PWRODBHTSA-N 0 0 560.311 5.707 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101483298 554785080 /nfs/dbraw/zinc/78/50/80/554785080.db2.gz LYLVDEMZOFKAJX-ISJGIBHGSA-N 0 0 507.929 5.188 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000101488120 554785603 /nfs/dbraw/zinc/78/56/03/554785603.db2.gz ZSDVHMNECXDSBT-KAGZEXGGSA-N 0 0 529.087 6.185 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000101497916 554787005 /nfs/dbraw/zinc/78/70/05/554787005.db2.gz HAHUPBVGDZLVND-FBWGSYAESA-N 0 0 578.463 6.870 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)c(C)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000101499294 554787560 /nfs/dbraw/zinc/78/75/60/554787560.db2.gz KGALHGYBSBDADS-QCKNELIISA-N 0 0 571.789 8.193 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101542192 554795741 /nfs/dbraw/zinc/79/57/41/554795741.db2.gz QMYVORMYUDWLMK-MJSOWUPRSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000101545281 554795994 /nfs/dbraw/zinc/79/59/94/554795994.db2.gz VLXMHAQXPIEVQE-LJAQVGFWSA-N 0 0 542.705 6.638 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1Cl)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000101622735 554810040 /nfs/dbraw/zinc/81/00/40/554810040.db2.gz WCIQJJWHUBTVNY-LJAQVGFWSA-N 0 0 537.067 6.828 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000101669925 554823259 /nfs/dbraw/zinc/82/32/59/554823259.db2.gz HVLZVYCRRNOOAG-OWHBQTKESA-N 0 0 585.656 6.337 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101670843 554824114 /nfs/dbraw/zinc/82/41/14/554824114.db2.gz 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ZINC000101672210 554825908 /nfs/dbraw/zinc/82/59/08/554825908.db2.gz WEJMENFNIGSAAK-SSBOKUKZSA-N 0 0 568.431 7.449 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101673172 554826590 /nfs/dbraw/zinc/82/65/90/554826590.db2.gz XKDLHQXYIQARTK-RWSKJCERSA-N 0 0 574.032 6.582 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101673155 554826615 /nfs/dbraw/zinc/82/66/15/554826615.db2.gz WMWHZQLWTFNLJE-SSBOKUKZSA-N 0 0 595.438 7.218 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101673958 554827357 /nfs/dbraw/zinc/82/73/57/554827357.db2.gz YIXIEZKOHMTYHW-YLJHYDRVSA-N 0 0 592.651 6.568 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000101759851 554836662 /nfs/dbraw/zinc/83/66/62/554836662.db2.gz QGCBXNLGDUCARV-ZWXJPIIXSA-N 0 0 559.621 6.915 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101776597 554837846 /nfs/dbraw/zinc/83/78/46/554837846.db2.gz BPBXNOFPTIKUNH-HSZRJFAPSA-N 0 0 556.647 5.483 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101809318 554839463 /nfs/dbraw/zinc/83/94/63/554839463.db2.gz VICKWJIMINIDFG-QFIPXVFZSA-N 0 0 571.567 6.161 50 10 KKCARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(I)c2O)N3)C1 ZINC000101897068 554847133 /nfs/dbraw/zinc/84/71/33/554847133.db2.gz VUTCNCGEGZKXFZ-NZFNHWASSA-N 0 0 566.202 5.217 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)NC(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101911186 554849832 /nfs/dbraw/zinc/84/98/32/554849832.db2.gz IMFCEHFNLOUSQJ-UHFFFAOYSA-N 0 0 568.523 6.321 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)NC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101911161 554849942 /nfs/dbraw/zinc/84/99/42/554849942.db2.gz PJLRCGPNCXIMPP-UHFFFAOYSA-N 0 0 567.630 6.033 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)C1CCC1 ZINC000102029573 554867909 /nfs/dbraw/zinc/86/79/09/554867909.db2.gz UEULKBWOEPUCAH-SFHVURJKSA-N 0 0 541.541 6.535 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 ZINC000102076085 554874653 /nfs/dbraw/zinc/87/46/53/554874653.db2.gz JVKAHRLKLWFWQF-JWHWKPFMSA-N 0 0 612.799 8.851 50 10 KKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(O)c(OC)cc(Br)c2Br)N3)C1 ZINC000102092692 554878343 /nfs/dbraw/zinc/87/83/43/554878343.db2.gz QSHRMUPCNWTUNP-OVWNDWIMSA-N 0 0 558.336 6.957 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000102439360 554929230 /nfs/dbraw/zinc/92/92/30/554929230.db2.gz CIGRUUSDDHPGLQ-UCQKPKSFSA-N 0 0 548.437 5.980 50 10 KKCARN COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)c(OC)c1 ZINC000102440379 554929507 /nfs/dbraw/zinc/92/95/07/554929507.db2.gz YTRFOBIHDANGNI-PMERELPUSA-N 0 0 572.625 6.404 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4cccc(C)c4C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000102441983 554929902 /nfs/dbraw/zinc/92/99/02/554929902.db2.gz GBZNNVFACASQFC-SAGCDJCOSA-N 0 0 611.764 5.069 50 10 KKCARN COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1C ZINC000102446480 554930757 /nfs/dbraw/zinc/93/07/57/554930757.db2.gz DIIKUEQUMKSLNE-JHLMGVGISA-N 0 0 513.623 5.418 50 10 KKCARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000102456231 554934334 /nfs/dbraw/zinc/93/43/34/554934334.db2.gz XQSPXLAVDPPDRW-MUUNZHRXSA-N 0 0 538.608 5.326 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102546173 554959064 /nfs/dbraw/zinc/95/90/64/554959064.db2.gz NRYGWLVYVALYTD-MJSOWUPRSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102552608 554962785 /nfs/dbraw/zinc/96/27/85/554962785.db2.gz BRAMNYTZUZGZFO-MJSOWUPRSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102552610 554962820 /nfs/dbraw/zinc/96/28/20/554962820.db2.gz BRAMNYTZUZGZFO-OLUZHXLYSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102558339 554965643 /nfs/dbraw/zinc/96/56/43/554965643.db2.gz VPDQNANIRNNXRR-FCEKVYKBSA-N 0 0 612.103 6.744 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000102559172 554966473 /nfs/dbraw/zinc/96/64/73/554966473.db2.gz YGBJCZKRUJLZRA-OZNIXHKMSA-N 0 0 586.084 6.414 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102559660 554967196 /nfs/dbraw/zinc/96/71/96/554967196.db2.gz DDNLMDFNYKTXIQ-DYIKCSJPSA-N 0 0 564.468 7.618 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102562217 554968698 /nfs/dbraw/zinc/96/86/98/554968698.db2.gz VBXPNNKFEVZBLA-SLGZMBILSA-N 0 0 599.639 5.945 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102563194 554968747 /nfs/dbraw/zinc/96/87/47/554968747.db2.gz QWLRAMATASVKNB-ZONZVBGPSA-N 0 0 556.058 6.406 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000102563085 554968796 /nfs/dbraw/zinc/96/87/96/554968796.db2.gz CLRPUQKOQVIKPZ-AYQJTBPPSA-N 0 0 594.494 7.627 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000102616578 554984475 /nfs/dbraw/zinc/98/44/75/554984475.db2.gz YMCRCJNYYKBQOG-OBVMJLIASA-N 0 0 612.387 7.247 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102626359 554988279 /nfs/dbraw/zinc/98/82/79/554988279.db2.gz XENQWZGEJNHLGN-DYIKCSJPSA-N 0 0 556.574 5.920 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000102629587 554989037 /nfs/dbraw/zinc/98/90/37/554989037.db2.gz VYKDXBQNMOASHM-GKRYNVPLSA-N 0 0 561.981 6.053 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000102632164 554989795 /nfs/dbraw/zinc/98/97/95/554989795.db2.gz TYPUAOICAJPLCK-OIFRRMEBSA-N 0 0 580.467 7.318 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000102636482 554990527 /nfs/dbraw/zinc/99/05/27/554990527.db2.gz SZNRUMYDPKRDJJ-UPRLRBBYSA-N 0 0 576.996 5.809 50 10 KKCARN Cc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000102648559 554994283 /nfs/dbraw/zinc/99/42/83/554994283.db2.gz QKNFXOUAFYFLOI-OTSKQWMFSA-N 0 0 551.697 6.539 50 10 KKCARN 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CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000103059929 555240571 /nfs/dbraw/zinc/24/05/71/555240571.db2.gz SVZAKWGBWGSOGL-XMMPIXPASA-N 0 0 546.611 5.699 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(Cc4ccccc4)CC3)c2C)cc1 ZINC000103060281 555241367 /nfs/dbraw/zinc/24/13/67/555241367.db2.gz JRUQIXXUCKXCTL-UHFFFAOYSA-N 0 0 581.669 6.510 50 10 KKCARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103068304 555248735 /nfs/dbraw/zinc/24/87/35/555248735.db2.gz VQWBGMQZXLWVNZ-UHFFFAOYSA-N 0 0 542.686 5.942 50 10 KKCARN C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103080401 555259251 /nfs/dbraw/zinc/25/92/51/555259251.db2.gz LFJNHTRCYRFQBD-FUHWJXTLSA-N 0 0 544.658 5.080 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103093266 555272126 /nfs/dbraw/zinc/27/21/26/555272126.db2.gz WFEIRBUVJFHYDP-KRWDZBQOSA-N 0 0 543.542 6.297 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000103093319 555272267 /nfs/dbraw/zinc/27/22/67/555272267.db2.gz ZZVURLNUYGDTIT-QGZVFWFLSA-N 0 0 554.441 6.041 50 10 KKCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000103114087 555287079 /nfs/dbraw/zinc/28/70/79/555287079.db2.gz PJXPVOYTKJHAMB-XMMPIXPASA-N 0 0 538.943 5.243 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3SCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000103128375 555296504 /nfs/dbraw/zinc/29/65/04/555296504.db2.gz ZDFGRYHTUBAQDH-UHFFFAOYSA-N 0 0 542.657 6.182 50 10 KKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103130732 555299796 /nfs/dbraw/zinc/29/97/96/555299796.db2.gz FHILUQARTCRRRW-IMWIBFENSA-N 0 0 532.812 7.795 50 10 KKCARN Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103131820 555301233 /nfs/dbraw/zinc/30/12/33/555301233.db2.gz MXRDKLKCPWRFMP-UHFFFAOYSA-N 0 0 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KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103525761 555428308 /nfs/dbraw/zinc/42/83/08/555428308.db2.gz JYUMAAKUTBGXFS-PFBJBMPXSA-N 0 0 569.629 5.900 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103532064 555432549 /nfs/dbraw/zinc/43/25/49/555432549.db2.gz ANTYNPVWLIJLPM-OLUZHXLYSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103540206 555438101 /nfs/dbraw/zinc/43/81/01/555438101.db2.gz UKSPDUBARWDXOP-NGDRWEMDSA-N 0 0 574.564 6.059 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000103541343 555438733 /nfs/dbraw/zinc/43/87/33/555438733.db2.gz ZCQWMYDMTMWCKJ-CPCREDONSA-N 0 0 555.630 6.329 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103544485 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CC(C)c1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103554004 555445178 /nfs/dbraw/zinc/44/51/78/555445178.db2.gz FOOAXAGGNVZUDV-OCBJUFRSSA-N 0 0 564.106 7.841 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103554860 555445506 /nfs/dbraw/zinc/44/55/06/555445506.db2.gz IAOPOOMGGNJBHE-JFHPUIQFSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103557228 555446513 /nfs/dbraw/zinc/44/65/13/555446513.db2.gz AZOGBFNMGYCDSM-SLGZMBILSA-N 0 0 588.103 7.788 50 10 KKCARN CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000103558978 555447598 /nfs/dbraw/zinc/44/75/98/555447598.db2.gz PUPQRMNVASIUDD-LJAQVGFWSA-N 0 0 620.511 7.238 50 10 KKCARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccc(Br)cc3)C1=N2 ZINC000103562043 555449208 /nfs/dbraw/zinc/44/92/08/555449208.db2.gz 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/nfs/dbraw/zinc/99/58/36/561995836.db2.gz WKQFNDFWAIRJHN-UGOBPDKASA-N 0 0 579.897 7.040 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000103862896 571367632 /nfs/dbraw/zinc/36/76/32/571367632.db2.gz JPQSYBHNBQGHTQ-UQTDQPHJSA-N 0 0 528.823 5.998 50 10 KKCARN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 ZINC000103875707 571368393 /nfs/dbraw/zinc/36/83/93/571368393.db2.gz IVGWZOKIZGLTRE-MHWRWJLKSA-N 0 0 610.056 6.948 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000103924752 571369981 /nfs/dbraw/zinc/36/99/81/571369981.db2.gz CNNUDQWMUBHBKD-ZEQKJWHPSA-N 0 0 550.250 7.313 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000104073935 571372280 /nfs/dbraw/zinc/37/22/80/571372280.db2.gz NEFWJTAFLRBKQT-LHHUKBANSA-N 0 0 572.617 5.518 50 10 KKCARN O=[N+]([O-])c1ccccc1SC1=C(Cl)[C@@H]2c3cc(Cl)cc(Cl)c3N[C@@H](c3cccc(Cl)c3Cl)[C@H]2C1 ZINC000104084123 571372507 /nfs/dbraw/zinc/37/25/07/571372507.db2.gz QFUKFKXOBUYMHB-JOGUKUGOSA-N 0 0 572.728 9.721 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000104113675 571374154 /nfs/dbraw/zinc/37/41/54/571374154.db2.gz IRNMWEAMGGIWEC-HPUNYJORSA-N 0 0 527.536 5.400 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000104194293 571376596 /nfs/dbraw/zinc/37/65/96/571376596.db2.gz MKDQLMQBJHEJFY-PGWNKUNCSA-N 0 0 540.534 6.726 50 10 KKCARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000104196212 571376723 /nfs/dbraw/zinc/37/67/23/571376723.db2.gz HSOZMTASDNSERI-IMWIBFENSA-N 0 0 549.412 7.095 50 10 KKCARN O=C1/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000104333377 571379360 /nfs/dbraw/zinc/37/93/60/571379360.db2.gz PXZIYAPESSFIQZ-VBJBQUGWSA-N 0 0 559.738 5.431 50 10 KKCARN O=C(c1ccccc1)c1cc(Cl)ccc1N[C@H](O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104560238 571381498 /nfs/dbraw/zinc/38/14/98/571381498.db2.gz OXHXBWLHGWRMRA-IPVFLDMMSA-N 0 0 605.842 7.293 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000105796054 571408777 /nfs/dbraw/zinc/40/87/77/571408777.db2.gz SYAXXUGRNNCYSR-PFBJBMPXSA-N 0 0 566.476 6.827 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000105979652 571409813 /nfs/dbraw/zinc/40/98/13/571409813.db2.gz GJZZCEQHBYCZAE-NKVSQWTQSA-N 0 0 525.379 7.656 50 10 KKCARN O=C1/C(=C/c2ccccc2OCc2cccc3ccccc32)SC(=S)N1c1cccc(Br)c1 ZINC000105981338 571409826 /nfs/dbraw/zinc/40/98/26/571409826.db2.gz RUYQLDZCFAKGIN-MYYYXRDXSA-N 0 0 532.484 7.587 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000106019656 571410645 /nfs/dbraw/zinc/41/06/45/571410645.db2.gz TVIITGMNZOQFCK-SSBOKUKZSA-N 0 0 551.976 6.935 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000106020619 571410844 /nfs/dbraw/zinc/41/08/44/571410844.db2.gz FNOTUXMHJCMXSH-PYPSMOBWSA-N 0 0 569.613 5.937 50 10 KKCARN Cc1c(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c2ccccc2n1Cc1ccc2c(c1)OCO2 ZINC000108373998 571423616 /nfs/dbraw/zinc/42/36/16/571423616.db2.gz FPIGNWZHUYMGIZ-KJNHQZHISA-N 0 0 577.710 6.562 50 10 KKCARN O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450718 571425266 /nfs/dbraw/zinc/42/52/66/571425266.db2.gz DDXLWXXKYIOFND-FQEVSTJZSA-N 0 0 538.508 5.302 50 10 biogenic KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000108572123 571426277 /nfs/dbraw/zinc/42/62/77/571426277.db2.gz VWJWDZKXPXGALM-BKUYFWCQSA-N 0 0 515.037 6.814 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000110443888 571431281 /nfs/dbraw/zinc/43/12/81/571431281.db2.gz HFDAEHZPRPVBOI-NHDPSOOVSA-N 0 0 529.495 7.024 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000111440589 571432045 /nfs/dbraw/zinc/43/20/45/571432045.db2.gz PCPKKVMWYBGMHW-GAKIBJFNSA-N 0 0 529.887 7.038 50 10 KKCARN O=C(Cc1ccccc1)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 ZINC000112230423 571434165 /nfs/dbraw/zinc/43/41/65/571434165.db2.gz XJAJELMGGCADLX-YCWUTDNLSA-N 0 0 520.614 6.707 50 10 KKCARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)OCC(=O)c1ccc3c(c1)OCO3)C[C@H](c1ccccc1)CC2 ZINC000113626306 571441493 /nfs/dbraw/zinc/44/14/93/571441493.db2.gz VKYFEPCVGBSEEY-LJQANCHMSA-N 0 0 563.628 5.071 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000113626140 571441504 /nfs/dbraw/zinc/44/15/04/571441504.db2.gz LKEQQRFRRLTEPF-LJQANCHMSA-N 0 0 564.616 5.250 50 10 KKCARN O=C(Nc1ccc(S[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000113659587 571442338 /nfs/dbraw/zinc/44/23/38/571442338.db2.gz KJTUKWROWJJLEQ-GBZKDNHJSA-N 0 0 575.477 8.085 50 10 KKCARN CCc1cccc2c(/C=C3\c4ccccc4N(c4ccccc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000113929033 571442845 /nfs/dbraw/zinc/44/28/45/571442845.db2.gz QNXDMXAVSXCLPQ-XHLNEMQHSA-N 0 0 503.646 6.825 50 10 KKCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000136636106 571449573 /nfs/dbraw/zinc/44/95/73/571449573.db2.gz SWBPFEITFKORFY-ISJGIBHGSA-N 0 0 515.363 5.359 50 10 KKCARN O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000136846716 571449817 /nfs/dbraw/zinc/44/98/17/571449817.db2.gz VJSJGWNLOXSABK-UHFFFAOYSA-N 0 0 570.647 6.686 50 10 KKCARN COc1ccc(CCNC=C2C(=O)N(c3ccccc3)N=C2c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1OC ZINC000137039439 571450050 /nfs/dbraw/zinc/45/00/50/571450050.db2.gz DBIUXGAJJWRZJA-CYVLTUHYSA-N 0 0 541.391 5.386 50 10 KKCARN Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C2/C(=C\c3ccc(N(C)C)cc3)CCC[C@@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000138352891 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COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)sc3n2)cc1 ZINC000215745069 571585870 /nfs/dbraw/zinc/58/58/70/571585870.db2.gz NLXOYJTZOYAPRS-UHFFFAOYSA-N 0 0 570.593 6.426 50 10 KKCARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215745423 571585884 /nfs/dbraw/zinc/58/58/84/571585884.db2.gz LIMOIGAQLBPYPE-UHFFFAOYSA-N 0 0 516.579 5.128 50 10 KKCARN CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2c1C(=NNc1ccccc1)C(=O)C(Br)=C2 ZINC000261490982 572109603 /nfs/dbraw/zinc/10/96/03/572109603.db2.gz UVRKKCHXOLMISA-BYYHNAKLSA-N 0 0 512.791 7.653 50 10 KKCARN CCOc1ccc2c(c1)S[C@@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1cccn1-c1nccs1 ZINC000299762857 572134754 /nfs/dbraw/zinc/13/47/54/572134754.db2.gz CHJQSJRFOFQWKE-RUZDIDTESA-N 0 0 537.707 6.602 50 10 KKCARN COc1ccc(N2CCN3c4ccc(Br)cc4C[C@@]4(C(=O)N(c5ccccc5)N=C4C)[C@@H]3C2)cc1 ZINC000226813843 572142126 /nfs/dbraw/zinc/14/21/26/572142126.db2.gz QKMRHQPUQRFXOZ-XCZPVHLTSA-N 0 0 531.454 5.118 50 10 KKCARN CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226979324 572146615 /nfs/dbraw/zinc/14/66/15/572146615.db2.gz GBKKQPUIFLMQLF-JVAFGIKQSA-N 0 0 522.428 7.606 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000227027006 572147360 /nfs/dbraw/zinc/14/73/60/572147360.db2.gz DDNLMDFNYKTXIQ-JBOQNHBVSA-N 0 0 564.468 7.618 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227027928 572148013 /nfs/dbraw/zinc/14/80/13/572148013.db2.gz LHPFYTCUCVSCOV-NXCFDTQHSA-N 0 0 564.003 7.407 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000227229126 572150743 /nfs/dbraw/zinc/15/07/43/572150743.db2.gz XHBXLLSKSYWWGI-NHKHRBQYSA-N 0 0 568.431 7.449 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000227230458 572150816 /nfs/dbraw/zinc/15/08/16/572150816.db2.gz ZQWFLSGLNKYADC-KKUQBAQOSA-N 0 0 609.347 7.805 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000227230453 572151073 /nfs/dbraw/zinc/15/10/73/572151073.db2.gz ZQWFLSGLNKYADC-GSDHBNRESA-N 0 0 609.347 7.805 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227237053 572151630 /nfs/dbraw/zinc/15/16/30/572151630.db2.gz YABKFNNYPOYVOH-DTXPUJKBSA-N 0 0 564.012 6.804 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000227237860 572151667 /nfs/dbraw/zinc/15/16/67/572151667.db2.gz PFDFOMFRJAVKCA-NHKHRBQYSA-N 0 0 551.976 6.935 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000227234199 572151671 /nfs/dbraw/zinc/15/16/71/572151671.db2.gz JIHZXFZUKLWBIK-OIFRRMEBSA-N 0 0 590.473 6.774 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000227237913 572151733 /nfs/dbraw/zinc/15/17/33/572151733.db2.gz TYFIRTAJYANBAT-DTXPUJKBSA-N 0 0 598.913 8.272 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000227240659 572152089 /nfs/dbraw/zinc/15/20/89/572152089.db2.gz LJAAUILCCWGXDI-QAXCHELISA-N 0 0 589.619 6.168 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227241163 572152118 /nfs/dbraw/zinc/15/21/18/572152118.db2.gz LAPYRLLXPSDQEA-CHQNGUEUSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000229594448 572154557 /nfs/dbraw/zinc/15/45/57/572154557.db2.gz YFEBTZDEIHLWQO-DTXPUJKBSA-N 0 0 580.467 7.318 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000229592121 572154575 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551712385 /nfs/dbraw/zinc/71/23/85/551712385.db2.gz INXNYPMQQXUJKN-AXUOHLPSSA-N 0 0 513.644 5.313 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001839990 551713812 /nfs/dbraw/zinc/71/38/12/551713812.db2.gz FCBVOLCCDWBZHX-HMAPJEAMSA-N 0 0 529.405 5.954 50 10 KKCARN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccc(F)cc6)c5C)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001850549 551715368 /nfs/dbraw/zinc/71/53/68/551715368.db2.gz YQYLKUUAIPGFOY-VSQRRKBNSA-N 0 0 591.708 5.883 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001860624 551717096 /nfs/dbraw/zinc/71/70/96/551717096.db2.gz RPDXZPJKOADMGC-OWHBQTKESA-N 0 0 555.630 6.329 50 10 KKCARN CCCCC(=O)N1c2ccc(OCC)cc2/C(=C2/SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000001868999 551718758 /nfs/dbraw/zinc/71/87/58/551718758.db2.gz IPQLBKZOXZPQIT-OLFWJLLRSA-N 0 0 567.798 7.851 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001872851 551720306 /nfs/dbraw/zinc/72/03/06/551720306.db2.gz MQMLLOQHGVVIBT-JFHPUIQFSA-N 0 0 576.048 6.674 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3cccc(Cl)c3)C1=N2 ZINC000001873730 551720768 /nfs/dbraw/zinc/72/07/68/551720768.db2.gz BRHUNTWQLRIJOJ-PMERELPUSA-N 0 0 558.089 7.695 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000001877101 551722948 /nfs/dbraw/zinc/72/29/48/551722948.db2.gz RTYLJXWGUKPFNB-YTCPBCGMSA-N 0 0 544.538 6.050 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000001880996 551724257 /nfs/dbraw/zinc/72/42/57/551724257.db2.gz SZNRUMYDPKRDJJ-IARZGTGTSA-N 0 0 576.996 5.809 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001880782 551724266 /nfs/dbraw/zinc/72/42/66/551724266.db2.gz YNGCDUIEZYSJGY-JFHPUIQFSA-N 0 0 559.593 6.159 50 10 KKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000001882168 551724401 /nfs/dbraw/zinc/72/44/01/551724401.db2.gz UHWFAGIONSOBNM-ZXPTYKNPSA-N 0 0 571.789 7.732 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3ccc(C)cc3)C1=N2 ZINC000001885654 551725481 /nfs/dbraw/zinc/72/54/81/551725481.db2.gz FNQGQKQNWQDLLR-LJAQVGFWSA-N 0 0 589.497 7.753 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(-c4ccccc4)cc3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000001895981 551727710 /nfs/dbraw/zinc/72/77/10/551727710.db2.gz OCYFCTCKAKVZAV-UHFFFAOYSA-N 0 0 561.732 7.805 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(F)cc3)C2=O)SC1=S ZINC000001900104 551730428 /nfs/dbraw/zinc/73/04/28/551730428.db2.gz QWIPKPFWWJFNEK-PGIRIEJUSA-N 0 0 517.607 5.144 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001900930 551730905 /nfs/dbraw/zinc/73/09/05/551730905.db2.gz HIAZGHOUMKZVTR-OLUZHXLYSA-N 0 0 557.577 6.067 50 10 KKCARN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000002058704 551740956 /nfs/dbraw/zinc/74/09/56/551740956.db2.gz WTXCPHHAFILRLJ-UFFVCSGVSA-N 0 0 506.863 7.632 50 10 KKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CCCC2 ZINC000002072942 551748047 /nfs/dbraw/zinc/74/80/47/551748047.db2.gz OTXJXXDMLODZHU-UHFFFAOYSA-N 0 0 517.047 6.179 50 10 KKCARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccs1 ZINC000002079533 551750973 /nfs/dbraw/zinc/75/09/73/551750973.db2.gz DPBIIJMBSZDTPD-XMMPIXPASA-N 0 0 532.017 6.112 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c43)CCC5)c2C)c1 ZINC000002083483 551753142 /nfs/dbraw/zinc/75/31/42/551753142.db2.gz YYOYRIJQCGBAPC-UHFFFAOYSA-N 0 0 535.647 5.136 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000002108862 551766393 /nfs/dbraw/zinc/76/63/93/551766393.db2.gz WPCMTYUUNYPEBU-QAXCHELISA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000002112162 551767918 /nfs/dbraw/zinc/76/79/18/551767918.db2.gz ALAJBVIRGKZBGY-QAXCHELISA-N 0 0 571.629 6.029 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000002112238 551768067 /nfs/dbraw/zinc/76/80/67/551768067.db2.gz NSRMBQRBEXGSCF-QAXCHELISA-N 0 0 555.630 6.410 50 10 KKCARN CC1=CN2C(=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(Br)c3)C2=N)S1 ZINC000002125047 551771899 /nfs/dbraw/zinc/77/18/99/551771899.db2.gz UJHJYCRXSWSSSM-MJSBPXROSA-N 0 0 512.429 5.691 50 10 KKCARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002137321 551773871 /nfs/dbraw/zinc/77/38/71/551773871.db2.gz SWBQKBRTYUSYIY-PMERELPUSA-N 0 0 511.025 7.126 50 10 KKCARN CCN(CC)c1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCCCC3)cc1 ZINC000002182447 551785731 /nfs/dbraw/zinc/78/57/31/551785731.db2.gz DXGNDCDGGLJSCB-UHFFFAOYSA-N 0 0 507.700 6.745 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002185372 551786421 /nfs/dbraw/zinc/78/64/21/551786421.db2.gz SNDAKHMRRGPVFT-UNDLXJOSSA-N 0 0 553.728 5.638 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC1=S ZINC000002203705 551793086 /nfs/dbraw/zinc/79/30/86/551793086.db2.gz LFLYPGXEGARHFQ-JXAWBTAJSA-N 0 0 530.469 5.641 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002221365 551796194 /nfs/dbraw/zinc/79/61/94/551796194.db2.gz HYCAFJLLIJRWQJ-UNRZKBSHSA-N 0 0 547.010 6.154 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000002241056 551799176 /nfs/dbraw/zinc/79/91/76/551799176.db2.gz RBGISUGSPLTBAA-GRSHGNNSSA-N 0 0 500.070 5.536 50 10 KKCARN Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000002242064 551799365 /nfs/dbraw/zinc/79/93/65/551799365.db2.gz OYBRTTVUSTZECK-QFEZKATASA-N 0 0 505.709 6.740 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1C ZINC000002248226 551800680 /nfs/dbraw/zinc/80/06/80/551800680.db2.gz UFUMLEOFYAUMLS-XIEYBQDHSA-N 0 0 502.640 5.329 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002252100 551801709 /nfs/dbraw/zinc/80/17/09/551801709.db2.gz NODIOTJRJTZFFJ-ITYLOYPMSA-N 0 0 511.672 6.730 50 10 KKCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000002264243 551804108 /nfs/dbraw/zinc/80/41/08/551804108.db2.gz AZNLNWDDPPRJJJ-IWIPYMOSSA-N 0 0 501.608 6.088 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000002277108 551805627 /nfs/dbraw/zinc/80/56/27/551805627.db2.gz HCTSWMGHQFRPCW-STZFKDTASA-N 0 0 528.497 6.312 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccccc3)C1=N2 ZINC000002233724 552082383 /nfs/dbraw/zinc/08/23/83/552082383.db2.gz QXDDUJDMYZAFEB-SSEXGKCCSA-N 0 0 523.644 7.042 50 10 KKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000002304876 552090117 /nfs/dbraw/zinc/09/01/17/552090117.db2.gz ANXQTQHMVARMKP-UQQQWYQISA-N 0 0 505.709 6.884 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000002344509 552098514 /nfs/dbraw/zinc/09/85/14/552098514.db2.gz UPFZDOJKJMNKIF-IARZGTGTSA-N 0 0 539.603 5.892 50 10 KKCARN Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000002365233 552103687 /nfs/dbraw/zinc/10/36/87/552103687.db2.gz YGIODIOTZKOMQT-MKRQMZSSSA-N 0 0 539.726 7.597 50 10 KKCARN O=C1C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000002367501 552104362 /nfs/dbraw/zinc/10/43/62/552104362.db2.gz CZINXMVRETWGNB-UHFFFAOYSA-N 0 0 550.083 6.651 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(C)cc3)C1=N2 ZINC000002368884 552104869 /nfs/dbraw/zinc/10/48/69/552104869.db2.gz OBDULIDEUMLMLL-GDLZYMKVSA-N 0 0 526.600 6.696 50 10 aggregator KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000002419683 552115604 /nfs/dbraw/zinc/11/56/04/552115604.db2.gz PBHOMDAKEJTNMY-YPKYBTACSA-N 0 0 544.050 7.273 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000002443924 552120403 /nfs/dbraw/zinc/12/04/03/552120403.db2.gz DWCNZUBUOMHWHK-NHKHRBQYSA-N 0 0 544.538 6.050 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000002447212 552121705 /nfs/dbraw/zinc/12/17/05/552121705.db2.gz YCYWKAMLJMRQDE-OCBJUFRSSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cc(-c2nn(-c3ccccc3)cc2/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1Cl ZINC000002450243 552122914 /nfs/dbraw/zinc/12/29/14/552122914.db2.gz QYEJBIMMWZDKDK-JRTDPZRASA-N 0 0 525.052 6.229 50 10 KKCARN CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000002453086 552123808 /nfs/dbraw/zinc/12/38/08/552123808.db2.gz RBLZSWUCJIAYDY-UBFVSLLYSA-N 0 0 532.821 6.125 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002454298 552124410 /nfs/dbraw/zinc/12/44/10/552124410.db2.gz DSUFCFZDZDHSSB-YPKYBTACSA-N 0 0 525.604 6.320 50 10 KKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1 ZINC000002561596 552129778 /nfs/dbraw/zinc/12/97/78/552129778.db2.gz FSSWLGOCJMCCPU-UHFFFAOYSA-N 0 0 530.306 8.100 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4cc(Br)ccc4N(Cc4ccccc4)C3=O)SC2=S)cc1OC ZINC000002586335 552131203 /nfs/dbraw/zinc/13/12/03/552131203.db2.gz KJDTXVQPKVEHKK-IZHYLOQSSA-N 0 0 595.540 5.827 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3ccc(C)cc3)C1=N2 ZINC000002590062 552132098 /nfs/dbraw/zinc/13/20/98/552132098.db2.gz INMNEUQCOZXDSW-MUUNZHRXSA-N 0 0 590.485 7.148 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)c2C)c1 ZINC000002618306 552137321 /nfs/dbraw/zinc/13/73/21/552137321.db2.gz JZWVSJJDGFSXBZ-UHFFFAOYSA-N 0 0 540.947 5.710 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002635582 552141080 /nfs/dbraw/zinc/14/10/80/552141080.db2.gz FEGMHBBSYRVDCZ-UHFFFAOYSA-N 0 0 560.946 5.655 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4ccccc4nc4c3C[C@@H](C(C)(C)C)CC4)c2C)cc1 ZINC000002637223 552141580 /nfs/dbraw/zinc/14/15/80/552141580.db2.gz OGOKBUIORSUEDS-QFIPXVFZSA-N 0 0 524.661 6.842 50 10 KKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002639748 552142350 /nfs/dbraw/zinc/14/23/50/552142350.db2.gz KTYFFIXRPHQCEA-HNNXBMFYSA-N 0 0 518.586 6.793 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002640519 552142808 /nfs/dbraw/zinc/14/28/08/552142808.db2.gz YSUPZEWWKGXNSZ-UHFFFAOYSA-N 0 0 536.506 6.625 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000002664028 552150994 /nfs/dbraw/zinc/15/09/94/552150994.db2.gz SVHSVZSBIIAUHA-UHFFFAOYSA-N 0 0 524.495 6.306 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002668303 552152014 /nfs/dbraw/zinc/15/20/14/552152014.db2.gz IGANLCFSVMIUIJ-PKAZHMFMSA-N 0 0 525.699 6.976 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(Cc4ccccc4Cl)C3=O)SC2=S)cc1OC ZINC000002672463 552153597 /nfs/dbraw/zinc/15/35/97/552153597.db2.gz RRHNMQYSGCWOTG-IZHYLOQSSA-N 0 0 551.089 5.718 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(Cc4ccc(Cl)cc4)C3=O)SC2=S)cc1 ZINC000002672460 552153626 /nfs/dbraw/zinc/15/36/26/552153626.db2.gz VJMPXRLOXDHMSD-FCQUAONHSA-N 0 0 507.036 5.667 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000002679669 552155039 /nfs/dbraw/zinc/15/50/39/552155039.db2.gz ARIKJAIQNHVNOL-UHFFFAOYSA-N 0 0 513.688 6.755 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000002680165 552155060 /nfs/dbraw/zinc/15/50/60/552155060.db2.gz XHWMWOLOZFIZLP-UHFFFAOYSA-N 0 0 589.786 8.422 50 10 KKCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C(C)C)ccc3C)SC2=S)cc1 ZINC000002682462 552155730 /nfs/dbraw/zinc/15/57/30/552155730.db2.gz CMAKTUUNSODQBX-PKAZHMFMSA-N 0 0 552.725 6.826 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002690950 552158754 /nfs/dbraw/zinc/15/87/54/552158754.db2.gz BEBLYQVUMQWHKH-HMAPJEAMSA-N 0 0 518.853 6.699 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)S3)CC2)cc1Cl ZINC000002690943 552158770 /nfs/dbraw/zinc/15/87/70/552158770.db2.gz NANZFSJRIQNABI-UCQKPKSFSA-N 0 0 532.880 7.008 50 10 KKCARN COc1ccc(-c2cc(OC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)cc3sc(=O)oc32)cc1 ZINC000002693398 552159076 /nfs/dbraw/zinc/15/90/76/552159076.db2.gz HSBCGAGLHLSUQO-MOSHPQCFSA-N 0 0 555.680 5.789 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Oc1cc2sc(=O)oc2c(-c2ccccc2Cl)c1 ZINC000002704324 552159765 /nfs/dbraw/zinc/15/97/65/552159765.db2.gz VZZMTIMFTHXOBK-NHDPSOOVSA-N 0 0 572.060 6.511 50 10 KKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000002704636 552159990 /nfs/dbraw/zinc/15/99/90/552159990.db2.gz NYLSANIRZDJPJU-QQXSKIMKSA-N 0 0 529.662 6.867 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000002704647 552160013 /nfs/dbraw/zinc/16/00/13/552160013.db2.gz IZOUVDNFOUQVCH-YUMHPJSZSA-N 0 0 543.689 7.115 50 10 KKCARN O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cc(Br)ccc1O)c1ccc(Cl)cc1 ZINC000002744774 552172897 /nfs/dbraw/zinc/17/28/97/552172897.db2.gz TYHRIPXLKSIYTP-LJQANCHMSA-N 0 0 598.622 5.324 50 10 KKCARN O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1ccccc1O)c1ccc(OCc2ccccc2)cc1 ZINC000002748816 552175203 /nfs/dbraw/zinc/17/52/03/552175203.db2.gz QWDIKXMBMPCGSX-SANMLTNESA-N 0 0 591.405 5.487 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccccc1F ZINC000002887835 552209829 /nfs/dbraw/zinc/20/98/29/552209829.db2.gz MOQBKTGJRSVVJH-UHFFFAOYSA-N 0 0 565.695 7.636 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000002889260 552211101 /nfs/dbraw/zinc/21/11/01/552211101.db2.gz QYUNVDBCTAYUQT-UHFFFAOYSA-N 0 0 568.551 7.753 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002897026 552212296 /nfs/dbraw/zinc/21/22/96/552212296.db2.gz OOAFPXPAXSGKSK-CIAFOILYSA-N 0 0 509.521 5.710 50 10 KKCARN CCOc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CC[C@H](C)C2 ZINC000002909596 552213917 /nfs/dbraw/zinc/21/39/17/552213917.db2.gz VFEYXKMUWXDFBG-KRWDZBQOSA-N 0 0 510.656 6.162 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3c[nH]c4ccccc34)c2C(=O)Nc2ccccc2OCC)C1 ZINC000002909709 552213955 /nfs/dbraw/zinc/21/39/55/552213955.db2.gz UTAQFIUXLIPBTR-UHFFFAOYSA-N 0 0 518.639 6.007 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000002909692 552213974 /nfs/dbraw/zinc/21/39/74/552213974.db2.gz COFTWYDNSMKMCZ-UHFFFAOYSA-N 0 0 513.591 5.283 50 10 KKCARN CN(C)c1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000002915177 552216300 /nfs/dbraw/zinc/21/63/00/552216300.db2.gz SVIMQBZYCZJVES-DQEYMECFSA-N 0 0 500.400 5.319 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002916017 552216993 /nfs/dbraw/zinc/21/69/93/552216993.db2.gz RTFVJSBNXZGHHQ-BIWBSIMWSA-N 0 0 546.092 5.168 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002916022 552217021 /nfs/dbraw/zinc/21/70/21/552217021.db2.gz RTFVJSBNXZGHHQ-ZGOFBEGVSA-N 0 0 546.092 5.168 50 10 KKCARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccccc1Cl)c1ccc(O)c(O)c1 ZINC000002962243 552234299 /nfs/dbraw/zinc/23/42/99/552234299.db2.gz BGTDUIOTCYNODR-UHFFFAOYSA-N 0 0 509.008 5.699 50 10 KKCARN Cc1cc(I)ccc1NCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000003096294 552287185 /nfs/dbraw/zinc/28/71/85/552287185.db2.gz OJSFCMJCGRJJTC-SXGWCWSVSA-N 0 0 545.265 5.633 50 10 KKCARN Cc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000003226052 552312783 /nfs/dbraw/zinc/31/27/83/552312783.db2.gz UOXNVGFGVAYUOD-UHFFFAOYSA-N 0 0 589.477 5.715 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000003253443 552323506 /nfs/dbraw/zinc/32/35/06/552323506.db2.gz JTSZESXGIOIERP-UHFFFAOYSA-N 0 0 567.761 7.867 50 10 KKCARN Cc1cc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003267576 552330320 /nfs/dbraw/zinc/33/03/20/552330320.db2.gz GLLOOTJLEVBONK-UHFFFAOYSA-N 0 0 558.050 8.413 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c43)CCCC5)c2C)cc1 ZINC000003267707 552330505 /nfs/dbraw/zinc/33/05/05/552330505.db2.gz XDRRTBCPDQNWTA-UHFFFAOYSA-N 0 0 505.665 6.129 50 10 KKCARN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)ccc1OCc1c(C)noc1C ZINC000003302380 552347023 /nfs/dbraw/zinc/34/70/23/552347023.db2.gz VYMQNYSOHUUKEK-UHFFFAOYSA-N 0 0 506.530 5.465 50 10 KKCARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC ZINC000003365092 552373027 /nfs/dbraw/zinc/37/30/27/552373027.db2.gz XBZARRSBGNXYPD-UHFFFAOYSA-N 0 0 597.487 6.227 50 10 KKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2-c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000003404372 552380984 /nfs/dbraw/zinc/38/09/84/552380984.db2.gz KLAAUENLVUINLZ-QFIPXVFZSA-N 0 0 566.130 8.148 50 10 KKCARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c(C)n1-c1ccc(C)c(C)c1 ZINC000003428963 552385038 /nfs/dbraw/zinc/38/50/38/552385038.db2.gz VAFOEHCHDPHGKE-UHFFFAOYSA-N 0 0 542.104 7.098 50 10 KKCARN Cc1cc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003450073 552388888 /nfs/dbraw/zinc/38/88/88/552388888.db2.gz AEQFHVYXTGKJTJ-UHFFFAOYSA-N 0 0 508.599 7.120 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000003662570 552407866 /nfs/dbraw/zinc/40/78/66/552407866.db2.gz LVHWDKAVGUUCRI-KOEQRZSOSA-N 0 0 557.469 7.074 50 10 KKCARN CCOC(=O)C1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003665757 552408747 /nfs/dbraw/zinc/40/87/47/552408747.db2.gz VXVZTRALGBAKJL-UHFFFAOYSA-N 0 0 525.561 5.334 50 10 KKCARN COc1cccc(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741849 552412809 /nfs/dbraw/zinc/41/28/09/552412809.db2.gz UBLDRSOULRZXAT-UHFFFAOYSA-N 0 0 570.571 7.137 50 10 KKCARN COc1cc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC ZINC000003741920 552412959 /nfs/dbraw/zinc/41/29/59/552412959.db2.gz LPUNLCZAZNUYGJ-UHFFFAOYSA-N 0 0 580.616 6.274 50 10 KKCARN COc1cccc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741915 552412974 /nfs/dbraw/zinc/41/29/74/552412974.db2.gz HBSSTPXHXCNPSJ-UHFFFAOYSA-N 0 0 520.564 6.257 50 10 KKCARN CCOc1ccc(Nc2cc(N3CCN(C(=O)c4ccco4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741947 552413341 /nfs/dbraw/zinc/41/33/41/552413341.db2.gz LAZWUDNPAGOANQ-UHFFFAOYSA-N 0 0 534.572 5.737 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741938 552413343 /nfs/dbraw/zinc/41/33/43/552413343.db2.gz HBLSJKCQJJONLC-MRXNPFEDSA-N 0 0 511.534 5.291 50 10 KKCARN COc1ccc(N2CCN(c3cc(Nc4ccc(F)cc4)c4c5c3noc5-c3ccccc3C4=O)CC2)cc1 ZINC000003741971 552413370 /nfs/dbraw/zinc/41/33/70/552413370.db2.gz FRXFMFBCEGATQM-UHFFFAOYSA-N 0 0 520.564 6.257 50 10 KKCARN COC(=O)c1ccc(Nc2cc(N3CCN(c4ccccc4F)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741983 552413525 /nfs/dbraw/zinc/41/35/25/552413525.db2.gz GNVZHBSJUVFRFL-UHFFFAOYSA-N 0 0 548.574 6.035 50 10 KKCARN COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)o1 ZINC000003764395 552413791 /nfs/dbraw/zinc/41/37/91/552413791.db2.gz NIRGRRSNTVWENW-VXLYETTFSA-N 0 0 541.275 7.430 50 10 KKCARN 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Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)cc1C ZINC000009458786 553266551 /nfs/dbraw/zinc/26/65/51/553266551.db2.gz FILICMGZDUJIIR-OHYLSHRZSA-N 0 0 516.648 5.880 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S ZINC000009463243 553268910 /nfs/dbraw/zinc/26/89/10/553268910.db2.gz VACCIROFZFBOJQ-AREJXAQWSA-N 0 0 530.760 5.648 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000009553783 553278776 /nfs/dbraw/zinc/27/87/76/553278776.db2.gz VPCDFFVSKHVCDN-UQJNUVEPSA-N 0 0 500.983 5.876 50 10 KKCARN COc1ccccc1N1CCN(c2cc(N3CCC[C@@H](C)C3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612296 553289598 /nfs/dbraw/zinc/28/95/98/553289598.db2.gz HZAWEXTUKXTEBA-HXUWFJFHSA-N 0 0 508.622 5.611 50 10 KKCARN Cc1ccc(C)c(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612316 553289640 /nfs/dbraw/zinc/28/96/40/553289640.db2.gz XIVIHNCUDFBNHK-UHFFFAOYSA-N 0 0 518.592 6.865 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccccc1Cl ZINC000009678866 553295776 /nfs/dbraw/zinc/29/57/76/553295776.db2.gz XGCUXEIPCIRIRW-ULJHMMPZSA-N 0 0 512.052 6.602 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000009730660 553302113 /nfs/dbraw/zinc/30/21/13/553302113.db2.gz QPYIQCAIPAQDFZ-HMAPJEAMSA-N 0 0 500.016 6.863 50 10 KKCARN Cc1ccc(C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000009730641 553302137 /nfs/dbraw/zinc/30/21/37/553302137.db2.gz PZEGCVRCELABNY-XYGWBWBKSA-N 0 0 510.080 6.816 50 10 KKCARN O=C(c1ccccc1)N1c2ccc(Br)cc2[C@@H]2C=CC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000009761181 553302891 /nfs/dbraw/zinc/30/28/91/553302891.db2.gz QPHZWGFJQIJOCO-LGVFNWMJSA-N 0 0 509.241 7.273 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000009957675 553320438 /nfs/dbraw/zinc/32/04/38/553320438.db2.gz GQLZYCREAWHLPU-ITYLOYPMSA-N 0 0 505.661 6.566 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C ZINC000009957678 553320442 /nfs/dbraw/zinc/32/04/42/553320442.db2.gz SDONUQCAZVZPAE-ITYLOYPMSA-N 0 0 505.661 6.566 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000009969732 553322308 /nfs/dbraw/zinc/32/23/08/553322308.db2.gz MUAKHQNGXXSXNR-NLRVBDNBSA-N 0 0 505.661 6.566 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(C)c(Cl)c5)c(C)c43)CC2)cc1 ZINC000010013127 553325688 /nfs/dbraw/zinc/32/56/88/553325688.db2.gz FQSZCVOKSICIJF-UHFFFAOYSA-N 0 0 508.047 5.549 50 10 KKCARN CCOc1ccc2c(c1)S[C@@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1ccccc1Cl ZINC000011791258 553343286 /nfs/dbraw/zinc/34/32/86/553343286.db2.gz WNYKRJVAVGGJQI-RUZDIDTESA-N 0 0 500.060 7.008 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000011852924 553346090 /nfs/dbraw/zinc/34/60/90/553346090.db2.gz KMHKUVMDHNRVJV-HMAPJEAMSA-N 0 0 542.151 6.570 50 10 KKCARN CCCCN(CCCC)c1ccc(C2(c3ccc(N(CCCC)CCCC)cc3)OC(=O)c3ccccc32)cc1 ZINC000012320927 553358243 /nfs/dbraw/zinc/35/82/43/553358243.db2.gz DJRJYWNDMBCUSJ-UHFFFAOYSA-N 0 0 540.792 8.962 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000012363473 553359448 /nfs/dbraw/zinc/35/94/48/553359448.db2.gz NXEJMDUFUOFVNI-BOPFTXTBSA-N 0 0 501.207 7.236 50 10 KKCARN COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)c1 ZINC000012371513 553360501 /nfs/dbraw/zinc/36/05/01/553360501.db2.gz WXXDXEQSQQUONI-KQWNVCNZSA-N 0 0 504.658 6.116 50 10 biogenic KKCARN COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2O)c2c(C)sc3ccccc32)c1O ZINC000012372372 553360859 /nfs/dbraw/zinc/36/08/59/553360859.db2.gz STNBFYSVWRGFJO-UHFFFAOYSA-N 0 0 502.635 6.114 50 10 KKCARN COc1cc2c(cc1NC(=O)COC(=O)c1cccc3c1C(=O)c1ccccc1C3=O)oc1ccccc12 ZINC000012591087 553400436 /nfs/dbraw/zinc/40/04/36/553400436.db2.gz ARWJIDBIMLUYBT-UHFFFAOYSA-N 0 0 505.482 5.166 50 10 KKCARN CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000012614493 553402619 /nfs/dbraw/zinc/40/26/19/553402619.db2.gz IGANLCFSVMIUIJ-WPWMEQJKSA-N 0 0 525.699 6.976 50 10 KKCARN Cc1c(COC(=O)c2ccc(C)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000012954483 553429113 /nfs/dbraw/zinc/42/91/13/553429113.db2.gz LFXPSAHSCPYUFP-UHFFFAOYSA-N 0 0 527.564 6.540 50 10 KKCARN Cc1ccc(Cc2cnc(SCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)s2)cc1 ZINC000013129835 553450999 /nfs/dbraw/zinc/45/09/99/553450999.db2.gz IDAHYEGJEZYIFF-UHFFFAOYSA-N 0 0 519.639 6.839 50 10 KKCARN Cc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000013129772 553451014 /nfs/dbraw/zinc/45/10/14/553451014.db2.gz QXCHMMZRXBMBOL-UHFFFAOYSA-N 0 0 511.043 6.031 50 10 KKCARN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)c4cc(C)n(-c5ccccc5F)c4C)n3C)cc2C1 ZINC000013139966 553454127 /nfs/dbraw/zinc/45/41/27/553454127.db2.gz UKQWXYXHVWFZQJ-SFHVURJKSA-N 0 0 508.688 6.580 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013510672 553467272 /nfs/dbraw/zinc/46/72/72/553467272.db2.gz JMJNDCFOCVENSM-VHEBRAQUSA-N 0 0 502.640 5.408 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S ZINC000013540049 553469486 /nfs/dbraw/zinc/46/94/86/553469486.db2.gz OXDFBLGZVXUOMS-XYGWBWBKSA-N 0 0 521.708 6.120 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013644276 553479737 /nfs/dbraw/zinc/47/97/37/553479737.db2.gz GKLZLEJUWXAYIC-ONUIUJJFSA-N 0 0 517.720 7.108 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000013739308 553487331 /nfs/dbraw/zinc/48/73/31/553487331.db2.gz HXMGBUVVXNNRRR-QLYXXIJNSA-N 0 0 525.717 6.681 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1Cl ZINC000013750973 553487976 /nfs/dbraw/zinc/48/79/76/553487976.db2.gz GAPWSJSVXDOULG-HZHRSRAPSA-N 0 0 510.084 6.735 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000013752161 553488107 /nfs/dbraw/zinc/48/81/07/553488107.db2.gz RWVTYPUZMJTJFK-GJFBBOBCSA-N 0 0 508.390 5.635 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000013776630 553489996 /nfs/dbraw/zinc/48/99/96/553489996.db2.gz XJDQEKWCLAEFBG-LLIKLIDUSA-N 0 0 520.618 5.481 50 10 KKCARN Cc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000013786879 553490868 /nfs/dbraw/zinc/49/08/68/553490868.db2.gz LWTNTWPGFLXBSJ-WNUQXASFSA-N 0 0 520.618 5.481 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC[C@H](C)COc1ccccc1 ZINC000013799884 553491178 /nfs/dbraw/zinc/49/11/78/553491178.db2.gz CVIMUOAWSBZZMP-NYMUXWCXSA-N 0 0 525.630 6.093 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000013800197 553491246 /nfs/dbraw/zinc/49/12/46/553491246.db2.gz IJUKTAQVTAJKQO-YVYXTAJVSA-N 0 0 525.630 6.156 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013801720 553491381 /nfs/dbraw/zinc/49/13/81/553491381.db2.gz BJZQALVNRSPNRW-GMWXLQMUSA-N 0 0 516.022 6.540 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000013807239 553492032 /nfs/dbraw/zinc/49/20/32/553492032.db2.gz NARSWSDDIOQKLN-ODENVGOISA-N 0 0 523.749 6.572 50 10 KKCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013810367 553492369 /nfs/dbraw/zinc/49/23/69/553492369.db2.gz GNSXNJZZUCKMAJ-IKYHASTISA-N 0 0 502.640 5.406 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000013881149 553493932 /nfs/dbraw/zinc/49/39/32/553493932.db2.gz RNWQVVYJQWHHAI-GGMSWHNTSA-N 0 0 503.689 7.372 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O ZINC000013893646 553494331 /nfs/dbraw/zinc/49/43/31/553494331.db2.gz JCGPMRGGFYPPEB-JTMDUIFQSA-N 0 0 506.487 6.251 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000013896689 553494870 /nfs/dbraw/zinc/49/48/70/553494870.db2.gz GWJHQSWSDNHAKG-ULJHMMPZSA-N 0 0 501.670 5.398 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C2=N)S1 ZINC000013897854 553495077 /nfs/dbraw/zinc/49/50/77/553495077.db2.gz SMBQZCQPHAHOJF-VKRJAPGXSA-N 0 0 506.628 5.579 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 ZINC000013899038 553495190 /nfs/dbraw/zinc/49/51/90/553495190.db2.gz ZAYQNASBPVGXML-YZLYIBFKSA-N 0 0 507.612 5.452 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000013940286 553496144 /nfs/dbraw/zinc/49/61/44/553496144.db2.gz TWDMCAVFHGKNES-IRCMEVCOSA-N 0 0 525.678 6.537 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000013942748 553496902 /nfs/dbraw/zinc/49/69/02/553496902.db2.gz MYYIISPXYOIXNS-YXWCMDNCSA-N 0 0 501.921 5.833 50 10 KKCARN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccccc3C)N=C2C)cc1 ZINC000015133476 553527990 /nfs/dbraw/zinc/52/79/90/553527990.db2.gz MZRPUIOYWNBMFM-RPCRKUJJSA-N 0 0 504.594 5.740 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000015134075 553528229 /nfs/dbraw/zinc/52/82/29/553528229.db2.gz CWIVQPQXEULQCF-XUIWWLCJSA-N 0 0 504.594 5.740 50 10 KKCARN COc1cc(Br)c(Br)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000015947795 553545607 /nfs/dbraw/zinc/54/56/07/553545607.db2.gz YAHYYIUVWKJVFM-GYKQLYQFSA-N 0 0 502.228 5.541 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000015954050 553546007 /nfs/dbraw/zinc/54/60/07/553546007.db2.gz HMQBUXDCTMCLFJ-RWSKJCERSA-N 0 0 525.604 6.320 50 10 biogenic KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000015990217 553549470 /nfs/dbraw/zinc/54/94/70/553549470.db2.gz ZFQOUVQZDTWNRZ-HPUNYJORSA-N 0 0 500.529 5.631 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000015998841 553549568 /nfs/dbraw/zinc/54/95/68/553549568.db2.gz CAFMMSRTIRABLN-RWSKJCERSA-N 0 0 525.604 6.402 50 10 KKCARN Cc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016000263 553549690 /nfs/dbraw/zinc/54/96/90/553549690.db2.gz IEMFYGHUPOEKCH-UPRLRBBYSA-N 0 0 501.607 6.373 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000016001774 553550052 /nfs/dbraw/zinc/55/00/52/553550052.db2.gz ZEPRCVPDBMDHNH-VJGNERBWSA-N 0 0 513.977 5.380 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016007586 553550266 /nfs/dbraw/zinc/55/02/66/553550266.db2.gz BVSANMKORWGNLV-GSDHBNRESA-N 0 0 513.996 6.528 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000016039113 553552771 /nfs/dbraw/zinc/55/27/71/553552771.db2.gz GVWJNEOJIHKVKX-UPRLRBBYSA-N 0 0 521.613 5.752 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(-c4cccc(F)c4)c3C)CC2)cc1 ZINC000016532217 553567307 /nfs/dbraw/zinc/56/73/07/553567307.db2.gz HPZKFKOSJOURTJ-UHFFFAOYSA-N 0 0 504.005 6.216 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000016700334 553574414 /nfs/dbraw/zinc/57/44/14/553574414.db2.gz LYFQGUPGISVFLS-DIBXZPPDSA-N 0 0 525.699 7.120 50 10 KKCARN O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000016700241 553574418 /nfs/dbraw/zinc/57/44/18/553574418.db2.gz LHSXGBJAPZNKKA-UCQKPKSFSA-N 0 0 504.036 6.261 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000016700663 553574543 /nfs/dbraw/zinc/57/45/43/553574543.db2.gz ZCKFEJWOPYHWTN-ITYLOYPMSA-N 0 0 511.672 6.300 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 ZINC000016701001 553574741 /nfs/dbraw/zinc/57/47/41/553574741.db2.gz SZJXGDMCNHHYLD-OOAXWGSJSA-N 0 0 531.747 7.642 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1F ZINC000016729211 553575562 /nfs/dbraw/zinc/57/55/62/553575562.db2.gz RHXUYHWESJVQFQ-JLPGSUDCSA-N 0 0 507.656 6.611 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1F ZINC000016729189 553575599 /nfs/dbraw/zinc/57/55/99/553575599.db2.gz XWHARQXXAQPRAA-XYGWBWBKSA-N 0 0 515.635 6.479 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1F ZINC000016729204 553575611 /nfs/dbraw/zinc/57/56/11/553575611.db2.gz NYDRFTFYZBCBOU-FVHJOOJJSA-N 0 0 509.628 5.457 50 10 KKCARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)C2=O)c1 ZINC000016730343 553576469 /nfs/dbraw/zinc/57/64/69/553576469.db2.gz BHVIEUXGTDBWPR-IZHYLOQSSA-N 0 0 513.644 5.060 50 10 KKCARN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)oc21 ZINC000016736958 553579083 /nfs/dbraw/zinc/57/90/83/553579083.db2.gz WEPKFYDWWIEHEQ-FVHJOOJJSA-N 0 0 517.632 5.674 50 10 KKCARN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C4CCCC4)C3=O)oc21 ZINC000016736722 553579097 /nfs/dbraw/zinc/57/90/97/553579097.db2.gz KNNWCONPRPBXNX-HAHDFKILSA-N 0 0 501.633 6.438 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000016791064 553582710 /nfs/dbraw/zinc/58/27/10/553582710.db2.gz YMMDIPPCYUNDRK-AUFPJITRSA-N 0 0 505.709 6.966 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000016791073 553582726 /nfs/dbraw/zinc/58/27/26/553582726.db2.gz DBGCDSHAPAMASB-UZXDDYOISA-N 0 0 520.680 6.865 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000016805378 553582856 /nfs/dbraw/zinc/58/28/56/553582856.db2.gz ABLHOWNUBBODNK-ULJHMMPZSA-N 0 0 509.672 6.859 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016805547 553583045 /nfs/dbraw/zinc/58/30/45/553583045.db2.gz XLWRZKMJKYEQQC-VXPUYCOJSA-N 0 0 501.471 5.758 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000017167100 553589854 /nfs/dbraw/zinc/58/98/54/553589854.db2.gz VDJLEARBUCWOHB-IWIPYMOSSA-N 0 0 505.615 6.206 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000017264995 553591779 /nfs/dbraw/zinc/59/17/79/553591779.db2.gz SUZGQIGRMLCEKK-XKZIYDEJSA-N 0 0 505.361 5.508 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000017445224 553596534 /nfs/dbraw/zinc/59/65/34/553596534.db2.gz OIGHBIWWOOXXGQ-UGKGYDQZSA-N 0 0 500.190 6.160 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000020154868 553598849 /nfs/dbraw/zinc/59/88/49/553598849.db2.gz QEASSCLNEIEYIS-CPIBVZOHSA-N 0 0 519.004 5.127 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000017722336 553599273 /nfs/dbraw/zinc/59/92/73/553599273.db2.gz BLGZRELJJCUEBF-SGNDLWITSA-N 0 0 534.395 5.812 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)ccc1O ZINC000070673057 553603031 /nfs/dbraw/zinc/60/30/31/553603031.db2.gz LGXVJPJFZSZBOT-OIFRRMEBSA-N 0 0 527.576 5.717 50 10 biogenic KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000070673476 553603635 /nfs/dbraw/zinc/60/36/35/553603635.db2.gz AIZCHOJOLGEWAW-OWHBQTKESA-N 0 0 571.629 6.029 50 10 biogenic KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)/C(=C\c3cccc(Cl)c3)S4)CC2)cc1 ZINC000020179805 553603637 /nfs/dbraw/zinc/60/36/37/553603637.db2.gz LCHFDDRWJJLFHB-YZSQISJMSA-N 0 0 520.054 5.421 50 10 KKCARN COc1cc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000070687538 553606946 /nfs/dbraw/zinc/60/69/46/553606946.db2.gz MELGFTPIVWZZAB-PKTNWEFCSA-N 0 0 523.585 5.043 50 10 biogenic KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000070687980 553607794 /nfs/dbraw/zinc/60/77/94/553607794.db2.gz JGQDXYKWYJGIPJ-RWSKJCERSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN CCCc1ccc(C(O)=C2[C@@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070691552 553608135 /nfs/dbraw/zinc/60/81/35/553608135.db2.gz HCHAJGUDWIULDF-SVYISMGTSA-N 0 0 506.602 5.210 50 10 biogenic KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000018246802 553611137 /nfs/dbraw/zinc/61/11/37/553611137.db2.gz LGCRZBKDXOYAFN-CYLBCFLHSA-N 0 0 523.058 5.671 50 10 KKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc21 ZINC000019789750 553616309 /nfs/dbraw/zinc/61/63/09/553616309.db2.gz MCBFEKSAJFSGNS-GOSISDBHSA-N 0 0 503.561 7.372 50 10 KKCARN CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=N)S1)c1ccccc1 ZINC000020238906 553624268 /nfs/dbraw/zinc/62/42/68/553624268.db2.gz UNLWJENIKQGUBF-IFZVYTAMSA-N 0 0 515.551 5.676 50 10 KKCARN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)C3=N)S2)c1 ZINC000020238875 553624291 /nfs/dbraw/zinc/62/42/91/553624291.db2.gz NITFZPFNULQFPF-LUCDKTHESA-N 0 0 501.524 5.170 50 10 KKCARN COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238749 553624295 /nfs/dbraw/zinc/62/42/95/553624295.db2.gz ZHSGPXGHGUROTP-SSOZYACPSA-N 0 0 507.915 5.184 50 10 KKCARN Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000019910574 553633201 /nfs/dbraw/zinc/63/32/01/553633201.db2.gz JVWTZGXMKBGVSH-RUZDIDTESA-N 0 0 516.831 6.951 50 10 KKCARN COc1ccc(C=C2SC(Nc3ccccc3OC)=NC2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000020352811 553640293 /nfs/dbraw/zinc/64/02/93/553640293.db2.gz CKOXIUKSMRBFKC-ZVHZXABRSA-N 0 0 505.552 5.582 50 10 KKCARN O=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)ccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c1C2=O)c1ccccc1 ZINC000082195607 553676200 /nfs/dbraw/zinc/67/62/00/553676200.db2.gz YIKPDAGMKPPHJO-UHFFFAOYSA-N 0 0 667.677 7.486 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000084460175 553677379 /nfs/dbraw/zinc/67/73/79/553677379.db2.gz NMPYAHDHEAPYLY-WMZHIEFXSA-N 0 0 548.206 6.008 50 10 KKCARN CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000020729340 553691531 /nfs/dbraw/zinc/69/15/31/553691531.db2.gz WBDSHBZDOBUNNU-UHFFFAOYSA-N 0 0 506.638 5.009 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3c(C)cc(C)cc3C)ccc21 ZINC000020730879 553691801 /nfs/dbraw/zinc/69/18/01/553691801.db2.gz CULKRCPFGFZOQI-UHFFFAOYSA-N 0 0 522.803 6.086 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccccc2F)N1 ZINC000020763893 553696364 /nfs/dbraw/zinc/69/63/64/553696364.db2.gz MBKVWAPSQVSDRB-RBBKRZOGSA-N 0 0 504.197 6.279 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764321 553696431 /nfs/dbraw/zinc/69/64/31/553696431.db2.gz CAGOLZBEVXBJJN-JYFHCDHNSA-N 0 0 513.407 6.314 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764858 553696948 /nfs/dbraw/zinc/69/69/48/553696948.db2.gz VPOFWIDKIBXCCK-VWNXMTODSA-N 0 0 503.799 6.568 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000020765227 553697005 /nfs/dbraw/zinc/69/70/05/553697005.db2.gz KVYXHWZSCLDKNC-MBSDFSHPSA-N 0 0 503.755 5.898 50 10 KKCARN O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1Cl)=NN(c1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccccc1 ZINC000095725774 553711045 /nfs/dbraw/zinc/71/10/45/553711045.db2.gz XFBDZWNAEIPISD-AREMUKBSSA-N 0 0 542.378 6.933 50 10 KKCARN O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1Cl)=NN(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 ZINC000095725775 553711081 /nfs/dbraw/zinc/71/10/81/553711081.db2.gz XFBDZWNAEIPISD-SANMLTNESA-N 0 0 542.378 6.933 50 10 KKCARN Cc1cc(C(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096021872 553718126 /nfs/dbraw/zinc/71/81/26/553718126.db2.gz ILPJYHVYLGKHAK-OAQYLSRUSA-N 0 0 619.759 8.089 50 10 KKCARN Cc1cc(C(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096021873 553718140 /nfs/dbraw/zinc/71/81/40/553718140.db2.gz ILPJYHVYLGKHAK-NRFANRHFSA-N 0 0 619.759 8.089 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C)n1-c1cccc(F)c1 ZINC000096022132 553719655 /nfs/dbraw/zinc/71/96/55/553719655.db2.gz GWAZWPFCOFWUPG-GOSISDBHSA-N 0 0 557.716 7.094 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)NC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288766 553740814 /nfs/dbraw/zinc/74/08/14/553740814.db2.gz DUKBEGFOZKSIFJ-UHFFFAOYSA-N 0 0 528.502 5.690 50 10 KKCARN O=C1/C(=C/c2ccccc2I)SC(=S)N1c1ccccc1Br ZINC000096602654 553756978 /nfs/dbraw/zinc/75/69/78/553756978.db2.gz NLWISMZIMXAQPC-ZROIWOOFSA-N 0 0 502.196 5.460 50 10 KKCARN CCN(CC)c1ccc(/C=C\C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)cc1 ZINC000097340662 553758609 /nfs/dbraw/zinc/75/86/09/553758609.db2.gz BBPHRZXHKRLZGN-HAGYSKIKSA-N 0 0 514.467 7.185 50 10 KKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000097944420 553769341 /nfs/dbraw/zinc/76/93/41/553769341.db2.gz BNXWHVRLMHHAJX-MYYYXRDXSA-N 0 0 599.503 5.405 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2OC)cc1 ZINC000097946076 553776512 /nfs/dbraw/zinc/77/65/12/553776512.db2.gz FGGIEPSUUAKEBD-CNNFHWSFSA-N 0 0 591.707 5.784 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000097946120 553776688 /nfs/dbraw/zinc/77/66/88/553776688.db2.gz DOIPDCSILFWXJH-GIBOGKFOSA-N 0 0 552.678 7.799 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946147 553776949 /nfs/dbraw/zinc/77/69/49/553776949.db2.gz ZDNZKLWAFFGMDR-QXPFVDMISA-N 0 0 690.250 7.975 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000097946136 553776966 /nfs/dbraw/zinc/77/69/66/553776966.db2.gz PRKHTAKGNJRLPY-UQQQWYQISA-N 0 0 637.208 6.751 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946161 553777179 /nfs/dbraw/zinc/77/71/79/553777179.db2.gz QQGBQKWSUKQQKS-BCJTWVECSA-N 0 0 590.658 8.092 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000097946213 553777483 /nfs/dbraw/zinc/77/74/83/553777483.db2.gz XLXPESAHHMSRQS-SJIPCVTESA-N 0 0 627.832 7.960 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000097946338 553778441 /nfs/dbraw/zinc/77/84/41/553778441.db2.gz QADMSSJRGFQXTQ-USHMODERSA-N 0 0 557.716 7.649 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1 ZINC000097946324 553778497 /nfs/dbraw/zinc/77/84/97/553778497.db2.gz BZCYTRNMAXGCFW-QXPFVDMISA-N 0 0 621.759 7.710 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097946462 553779493 /nfs/dbraw/zinc/77/94/93/553779493.db2.gz LJMRDRKZRXMZHE-DXJNIWACSA-N 0 0 575.759 8.129 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1OC ZINC000097946498 553779777 /nfs/dbraw/zinc/77/97/77/553779777.db2.gz SNRGSMZTNOCFTB-JLPGSUDCSA-N 0 0 533.700 6.062 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1F ZINC000097946491 553779796 /nfs/dbraw/zinc/77/97/96/553779796.db2.gz HVHHPPYOBGEAEZ-FDRCZSESSA-N 0 0 529.662 7.040 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000097946533 553779995 /nfs/dbraw/zinc/77/99/95/553779995.db2.gz QOIIXZVWYBVRJZ-AQGMBIETSA-N 0 0 542.686 5.111 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000097946562 553780269 /nfs/dbraw/zinc/78/02/69/553780269.db2.gz XKVGPQOREMRJRR-DIBXZPPDSA-N 0 0 560.144 7.425 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3OC)C2=O)c(C)c1 ZINC000097946629 553780814 /nfs/dbraw/zinc/78/08/14/553780814.db2.gz VBOXIKRWTMGXKZ-QRQIAZFYSA-N 0 0 571.724 6.317 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(=O)OCC)CC3)=NC2=O)cc1Cl ZINC000097946659 553781099 /nfs/dbraw/zinc/78/10/99/553781099.db2.gz ABCYFFNQQQGBGV-ITYLOYPMSA-N 0 0 579.122 6.227 50 10 KKCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)S2)C[C@H](C)O1 ZINC000097946890 553782155 /nfs/dbraw/zinc/78/21/55/553782155.db2.gz BIUZVUFDSYEREB-GORZKMDOSA-N 0 0 585.129 6.851 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4cccc(Cl)c4c3Cl)c(OC)c2)SC1=S ZINC000097946977 553782643 /nfs/dbraw/zinc/78/26/43/553782643.db2.gz FTILAUMNZXBCKH-BOPFTXTBSA-N 0 0 554.498 6.284 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O[C@@H](NC(=O)c4ccco4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1OC ZINC000097947009 553782821 /nfs/dbraw/zinc/78/28/21/553782821.db2.gz QJDVRJWJIUZKAH-BQKWAYIGSA-N 0 0 641.982 6.246 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947007 553782828 /nfs/dbraw/zinc/78/28/28/553782828.db2.gz TVRMEPOAEBJONQ-USUABIMMSA-N 0 0 575.923 5.048 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O[C@H](NC(=O)c4ccco4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1OC ZINC000097947008 553782857 /nfs/dbraw/zinc/78/28/57/553782857.db2.gz QJDVRJWJIUZKAH-GMPUOFRTSA-N 0 0 641.982 6.246 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)C1=CC=CCC1 ZINC000097947043 553783102 /nfs/dbraw/zinc/78/31/02/553783102.db2.gz WXJRSHDVKBROKS-YPKVGQCMSA-N 0 0 593.985 6.598 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000097947045 553783150 /nfs/dbraw/zinc/78/31/50/553783150.db2.gz WWCAEFBAPJHMQY-GJISQHIDSA-N 0 0 626.414 7.289 50 10 KKCARN CC(C)C(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947050 553783280 /nfs/dbraw/zinc/78/32/80/553783280.db2.gz QUADWLYQKHTMOF-NXIIHZOPSA-N 0 0 533.886 5.528 50 10 KKCARN Cc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947060 553783357 /nfs/dbraw/zinc/78/33/57/553783357.db2.gz VKGBPIIUVQKXGT-LMTOTAIGSA-N 0 0 605.996 6.944 50 10 KKCARN COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)SC1=S ZINC000097947062 553783371 /nfs/dbraw/zinc/78/33/71/553783371.db2.gz PVCYMPJOBVPRGD-UYRXBGFRSA-N 0 0 534.080 6.020 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000097947103 553783589 /nfs/dbraw/zinc/78/35/89/553783589.db2.gz BLEMKLBOLCNPOU-JDCMOKTRSA-N 0 0 584.745 8.133 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000097947089 553783658 /nfs/dbraw/zinc/78/36/58/553783658.db2.gz NEDWMNXLPUUTMN-BCJTWVECSA-N 0 0 694.282 7.946 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC ZINC000097947168 553784174 /nfs/dbraw/zinc/78/41/74/553784174.db2.gz IJMTXIJRBCWONH-BRPDVVIDSA-N 0 0 565.699 5.345 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)C1 ZINC000097947197 553784534 /nfs/dbraw/zinc/78/45/34/553784534.db2.gz WSWFCKHWKKNBKK-RQZLTBTFSA-N 0 0 627.166 7.017 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000097947387 553785806 /nfs/dbraw/zinc/78/58/06/553785806.db2.gz UHKWNVGPZOOZET-ZHZULCJRSA-N 0 0 550.459 5.651 50 10 KKCARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097947384 553785828 /nfs/dbraw/zinc/78/58/28/553785828.db2.gz XZAURKWUQOURLI-IWIPYMOSSA-N 0 0 571.680 5.914 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097947433 553786047 /nfs/dbraw/zinc/78/60/47/553786047.db2.gz ALMOFJKJSRBYQP-BFDKZUKCSA-N 0 0 566.752 6.116 50 10 KKCARN Cc1ccc(C2=NN(C(=O)c3cc4nc(-c5ccc(Cl)s5)cc(C(F)(F)F)n4n3)[C@H](c3ccccc3O)C2)cc1 ZINC000097948576 553794967 /nfs/dbraw/zinc/79/49/67/553794967.db2.gz DOVIITCKLXCCFS-NRFANRHFSA-N 0 0 582.007 7.136 50 10 KKCARN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097948810 553796889 /nfs/dbraw/zinc/79/68/89/553796889.db2.gz ATPKFMDOVNEAME-MHZLTWQESA-N 0 0 604.884 6.813 50 10 KKCARN CCCCN(Cc1ccccc1)C(=O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(NC(C)=O)cc1 ZINC000025152139 553796964 /nfs/dbraw/zinc/79/69/64/553796964.db2.gz FNDXXZRHGRMHQQ-UHFFFAOYSA-N 0 0 511.641 7.003 50 10 KKCARN CCCCC(=O)N1c2cc(OC)ccc2C(=C2SC(C(=O)OCC)=C(C(=O)OCC)S2)C(=S)C1(C)C ZINC000097949650 553802562 /nfs/dbraw/zinc/80/25/62/553802562.db2.gz FMSUTILRFXFXDS-UHFFFAOYSA-N 0 0 549.736 5.867 50 10 KKCARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000097950318 553803651 /nfs/dbraw/zinc/80/36/51/553803651.db2.gz UWNISXSIGOHIFQ-RMVOWZKRSA-N 0 0 547.724 8.010 50 10 KKCARN O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000025397922 553808354 /nfs/dbraw/zinc/80/83/54/553808354.db2.gz XQWUHOBLUYCIES-UHFFFAOYSA-N 0 0 518.978 5.230 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576976 553810680 /nfs/dbraw/zinc/81/06/80/553810680.db2.gz UBLCMNDKWHWZGA-OZXSUGGESA-N 0 0 505.799 7.204 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577221 553810916 /nfs/dbraw/zinc/81/09/16/553810916.db2.gz RSTZNEDDIWXIKK-JYFHCDHNSA-N 0 0 505.799 7.204 50 10 KKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S ZINC000025581319 553811725 /nfs/dbraw/zinc/81/17/25/553811725.db2.gz QYFLDAHCCMFZTR-PXLXIMEGSA-N 0 0 508.625 5.848 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000026593210 553819736 /nfs/dbraw/zinc/81/97/36/553819736.db2.gz QNUPKKXWIVALNR-GGLRMMABSA-N 0 0 512.591 5.129 50 10 KKCARN O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000026965601 553822651 /nfs/dbraw/zinc/82/26/51/553822651.db2.gz FJUSEYJCAZWTRK-KQWNVCNZSA-N 0 0 510.036 5.768 50 10 KKCARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000026967395 553822815 /nfs/dbraw/zinc/82/28/15/553822815.db2.gz QFKWKKLVLPCZQF-IBQFYDAJSA-N 0 0 512.480 5.563 50 10 KKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027019586 553823750 /nfs/dbraw/zinc/82/37/50/553823750.db2.gz ZXQXZFILJCBBMG-HFTWOUSFSA-N 0 0 504.659 6.464 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1C ZINC000027019876 553823774 /nfs/dbraw/zinc/82/37/74/553823774.db2.gz JLRNPQCDXGBGGJ-IMRQLAEWSA-N 0 0 525.699 7.351 50 10 KKCARN Cc1cc(Cl)ccc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Br ZINC000027520812 553827018 /nfs/dbraw/zinc/82/70/18/553827018.db2.gz FUHOCARUTZQPOA-HZHRSRAPSA-N 0 0 512.835 5.887 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000027522308 553828753 /nfs/dbraw/zinc/82/87/53/553828753.db2.gz YGNSHRPNHIJYRY-ITYLOYPMSA-N 0 0 504.030 6.428 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000027528029 553831265 /nfs/dbraw/zinc/83/12/65/553831265.db2.gz KKRKIFAYPHZPOD-ITYLOYPMSA-N 0 0 525.571 6.360 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C2=N)S1 ZINC000027549321 553833595 /nfs/dbraw/zinc/83/35/95/553833595.db2.gz YJLFEXRZAZXOCR-NMBITUCBSA-N 0 0 506.628 5.579 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000027549371 553833619 /nfs/dbraw/zinc/83/36/19/553833619.db2.gz TYZFAQSLXZVOHG-VBQUMQFVSA-N 0 0 514.582 5.665 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000027549423 553833791 /nfs/dbraw/zinc/83/37/91/553833791.db2.gz OUSGYAMPXPUHOF-RRABYFSWSA-N 0 0 527.046 5.924 50 10 KKCARN N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000027549707 553833839 /nfs/dbraw/zinc/83/38/39/553833839.db2.gz QYCKRVIWFDHDHP-GDFSPLMZSA-N 0 0 502.983 5.465 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cc(C)cc(C)c4)c(OC)c3)C2=N)S1 ZINC000027549777 553834095 /nfs/dbraw/zinc/83/40/95/553834095.db2.gz DWMZTRCHAPYRTP-PEYOBPGZSA-N 0 0 513.019 5.452 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000027549832 553834115 /nfs/dbraw/zinc/83/41/15/553834115.db2.gz IUPPJKPHZFRVMD-QYCAXFPOSA-N 0 0 520.655 5.825 50 10 KKCARN COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000027572661 553835210 /nfs/dbraw/zinc/83/52/10/553835210.db2.gz QGFIJKNGAZILLM-FBJHWAPASA-N 0 0 511.603 5.847 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C ZINC000029492214 553845685 /nfs/dbraw/zinc/84/56/85/553845685.db2.gz DEXLOFQHSJOSJW-BRPDVVIDSA-N 0 0 621.788 6.840 50 10 KKCARN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3/N=N/c3ccc(C)cc3)cc2)cc1 ZINC000097957827 553848840 /nfs/dbraw/zinc/84/88/40/553848840.db2.gz UCVDWLDYZDGCRT-LMXNTIJMSA-N 0 0 580.692 10.256 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(-c4ncc(-c5ccccc5)o4)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097957914 553849492 /nfs/dbraw/zinc/84/94/92/553849492.db2.gz RJFKAUIHMBBQAL-ASLASGLCSA-N 0 0 621.785 8.577 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)c1 ZINC000097957929 553849749 /nfs/dbraw/zinc/84/97/49/553849749.db2.gz TXJIWBGHSCFSBP-VINXDOLDSA-N 0 0 559.091 6.897 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000097957975 553850077 /nfs/dbraw/zinc/85/00/77/553850077.db2.gz ZOVCEGMMJYDGFM-XIQOCJILSA-N 0 0 595.450 5.874 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000097957985 553850141 /nfs/dbraw/zinc/85/01/41/553850141.db2.gz ZOVPVHOKBSQTIP-HXZWGFLPSA-N 0 0 577.062 5.873 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958011 553850389 /nfs/dbraw/zinc/85/03/89/553850389.db2.gz DEFKFJPQTSJTRY-XUOZBQSZSA-N 0 0 584.698 6.149 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000097958531 553855447 /nfs/dbraw/zinc/85/54/47/553855447.db2.gz UGKBWEFASKSBQI-BVSYZFFISA-N 0 0 677.351 7.161 50 10 KKCARN Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000097958568 553855895 /nfs/dbraw/zinc/85/58/95/553855895.db2.gz YMMSYVRNTDRUPD-IMRQLAEWSA-N 0 0 538.134 8.026 50 10 KKCARN CCCCCCc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097958672 553856824 /nfs/dbraw/zinc/85/68/24/553856824.db2.gz ONBIWZBFFWQAPB-ANYBSYGZSA-N 0 0 566.188 8.322 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 ZINC000097958671 553856827 /nfs/dbraw/zinc/85/68/27/553856827.db2.gz CTAJKBKFUFSMNJ-VRAKWYDISA-N 0 0 543.045 5.480 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000097958674 553856889 /nfs/dbraw/zinc/85/68/89/553856889.db2.gz DXOJVTYHDSDADN-YLHCSOALSA-N 0 0 654.835 7.175 50 10 KKCARN CCc1ccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097958752 553857372 /nfs/dbraw/zinc/85/73/72/553857372.db2.gz VSHCAJDBWYSLNH-NLRVBDNBSA-N 0 0 554.133 7.160 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000097958913 553858765 /nfs/dbraw/zinc/85/87/65/553858765.db2.gz MKLMLDDXHCTPOG-PXRNLIKFSA-N 0 0 591.487 5.891 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000097958931 553859075 /nfs/dbraw/zinc/85/90/75/553859075.db2.gz PKPQTIMOLLVOPC-ZTKZIYFRSA-N 0 0 547.742 7.771 50 10 KKCARN COc1ccccc1OCCOc1c(I)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC ZINC000097959045 553859970 /nfs/dbraw/zinc/85/99/70/553859970.db2.gz VTHUPLLYOJSULX-OUEXIOHGSA-N 0 0 620.469 5.041 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000097959031 553859995 /nfs/dbraw/zinc/85/99/95/553859995.db2.gz OYUXPHUDOJNCIQ-NFIDDJMPSA-N 0 0 588.711 6.062 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000097959067 553860331 /nfs/dbraw/zinc/86/03/31/553860331.db2.gz PIIDOTYVINZTHJ-JLPGSUDCSA-N 0 0 558.552 8.155 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)cc1 ZINC000097959130 553861100 /nfs/dbraw/zinc/86/11/00/553861100.db2.gz ZAJZQKAAWPNTAN-ZFIZOQOESA-N 0 0 533.009 5.474 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000097959175 553861324 /nfs/dbraw/zinc/86/13/24/553861324.db2.gz JGSHABRDYRZYHS-XKZIYDEJSA-N 0 0 530.896 7.083 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097959159 553861330 /nfs/dbraw/zinc/86/13/30/553861330.db2.gz SWVBNBWZOOLNBW-NCMPSKFBSA-N 0 0 575.916 6.745 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)cc1 ZINC000097959169 553861379 /nfs/dbraw/zinc/86/13/79/553861379.db2.gz AEAOEZASAOKGDO-BUSCNXHOSA-N 0 0 559.091 6.979 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097959192 553861718 /nfs/dbraw/zinc/86/17/18/553861718.db2.gz JTGMNKGXMRQSRN-JZUBHEMNSA-N 0 0 526.618 5.437 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)cc1C ZINC000097959201 553861742 /nfs/dbraw/zinc/86/17/42/553861742.db2.gz ICHVICQDVFCFJQ-FMCGABEWSA-N 0 0 579.751 7.237 50 10 KKCARN Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)cc2)c1 ZINC000097960186 553868848 /nfs/dbraw/zinc/86/88/48/553868848.db2.gz PVTSCKQBXJOHGN-WRLNMTLESA-N 0 0 540.645 5.768 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000097960172 553868880 /nfs/dbraw/zinc/86/88/80/553868880.db2.gz LRDLDRFXWCOXAQ-QJSMOPQASA-N 0 0 561.461 6.013 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000097960734 553873347 /nfs/dbraw/zinc/87/33/47/553873347.db2.gz HGDGRSYDTGIYFZ-RHAFXMNRSA-N 0 0 531.407 5.451 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000097960941 553874355 /nfs/dbraw/zinc/87/43/55/553874355.db2.gz BCUYLTDHSHEWKG-UYRXBGFRSA-N 0 0 525.240 7.000 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2cc(C)ccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000097961055 553875187 /nfs/dbraw/zinc/87/51/87/553875187.db2.gz FIXFSRSNIHQKCG-JSUXTFFISA-N 0 0 567.637 6.816 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000097961859 553881154 /nfs/dbraw/zinc/88/11/54/553881154.db2.gz DSPVTAWASKOOTO-WSDLNYQXSA-N 0 0 632.945 5.675 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000097961858 553881157 /nfs/dbraw/zinc/88/11/57/553881157.db2.gz IEBHGMNWHCHQBE-HYARGMPZSA-N 0 0 650.947 6.469 50 10 KKCARN COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1Cl ZINC000032964323 553882473 /nfs/dbraw/zinc/88/24/73/553882473.db2.gz ZUODPDADRGSIEC-YFIZFCHVSA-N 0 0 505.987 5.146 50 10 KKCARN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000097962102 553883017 /nfs/dbraw/zinc/88/30/17/553883017.db2.gz KGAVGRHDFDFLKH-CIAFOILYSA-N 0 0 545.469 6.127 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000097962217 553883888 /nfs/dbraw/zinc/88/38/88/553883888.db2.gz LLHJCEJSNBNRIB-ZMOGYAJESA-N 0 0 557.068 6.610 50 10 KKCARN O=C1/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000097962215 553883889 /nfs/dbraw/zinc/88/38/89/553883889.db2.gz FMKYIWBLRVIZTO-AWQFTUOYSA-N 0 0 631.745 8.128 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CCCC4)cc1 ZINC000033040524 553893508 /nfs/dbraw/zinc/89/35/08/553893508.db2.gz DBPGWALFYDBQIX-MHZLTWQESA-N 0 0 517.098 7.274 50 10 KKCARN CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040579 553893790 /nfs/dbraw/zinc/89/37/90/553893790.db2.gz DVWUVDOZHHHBPE-GDLZYMKVSA-N 0 0 526.706 7.019 50 10 KKCARN Cc1c(Cl)cccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040581 553893812 /nfs/dbraw/zinc/89/38/12/553893812.db2.gz FLMMBVARPIKAGQ-NDEPHWFRSA-N 0 0 531.125 7.583 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CCCC4)cc1 ZINC000033040606 553893900 /nfs/dbraw/zinc/89/39/00/553893900.db2.gz ONIJDYDNEJKTRK-HHHXNRCGSA-N 0 0 500.643 6.760 50 10 KKCARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040627 553893941 /nfs/dbraw/zinc/89/39/41/553893941.db2.gz OWNCLSLGRRRCHX-GDLZYMKVSA-N 0 0 526.706 6.307 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(C)cc(C)c1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051207 553895942 /nfs/dbraw/zinc/89/59/42/553895942.db2.gz FXZMNPAGOGJRDK-HKBQPEDESA-N 0 0 530.676 6.791 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)c(C)c1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051201 553895990 /nfs/dbraw/zinc/89/59/90/553895990.db2.gz UDMYHJLPJCEECK-WJOKGBTCSA-N 0 0 530.676 6.791 50 10 KKCARN N=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000097964348 553897446 /nfs/dbraw/zinc/89/74/46/553897446.db2.gz PQKFFFQOKDNGPC-MVGBAUDGSA-N 0 0 557.704 7.353 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2Br)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965206 553903579 /nfs/dbraw/zinc/90/35/79/553903579.db2.gz XXRNAIWQMCXRLV-SANAFOKZSA-N 0 0 557.536 7.018 50 10 KKCARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1N=C2/C(=C/c3ccc(N4CCOCC4)cc3)CCC[C@@H]2[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000097965213 553903651 /nfs/dbraw/zinc/90/36/51/553903651.db2.gz IXAHVMZDTXTIBD-XBBNRJCHSA-N 0 0 689.860 8.012 50 10 KKCARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000097965662 553905813 /nfs/dbraw/zinc/90/58/13/553905813.db2.gz GMWHTQMDCXJXDI-FNWGJVEASA-N 0 0 630.340 8.931 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCCOc1cccc(OC)c1 ZINC000097966215 553907581 /nfs/dbraw/zinc/90/75/81/553907581.db2.gz OBBAIQJEOFRXNW-DEDYPNTBSA-N 0 0 538.485 5.535 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097966232 553907663 /nfs/dbraw/zinc/90/76/63/553907663.db2.gz OVEMGKAZENPWPD-NORRPQMOSA-N 0 0 561.063 6.172 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C4=NC(=O)/C(=C/c5ccc(OC)cc5)S4)CC3)C2=O)cc1 ZINC000097966385 553908627 /nfs/dbraw/zinc/90/86/27/553908627.db2.gz WOJMKTMXAILTAX-DQIQZUARSA-N 0 0 620.822 5.054 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccccc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266842 553917535 /nfs/dbraw/zinc/91/75/35/553917535.db2.gz WJNMHWZCUPJNBW-PMERELPUSA-N 0 0 516.649 5.852 50 10 KKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000097967548 553920220 /nfs/dbraw/zinc/92/02/20/553920220.db2.gz RBCSAQNOGNLSEK-HFTWOUSFSA-N 0 0 555.681 5.400 50 10 KKCARN COc1ccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1 ZINC000033293618 553920676 /nfs/dbraw/zinc/92/06/76/553920676.db2.gz DHFXMAWEYWNIOM-FSWFDUBRSA-N 0 0 501.612 5.312 50 10 KKCARN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000033347964 553922197 /nfs/dbraw/zinc/92/21/97/553922197.db2.gz BOEXQYRNYGCSQN-JJFYIABZSA-N 0 0 508.512 5.156 50 10 KKCARN CCCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000033352552 553922528 /nfs/dbraw/zinc/92/25/28/553922528.db2.gz PHTKMQXFFJGPDD-CJLVFECKSA-N 0 0 509.653 5.078 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000033355098 553933220 /nfs/dbraw/zinc/93/32/20/553933220.db2.gz BXYMJPPZBKANIO-VWLOTQADSA-N 0 0 615.915 7.262 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)COc3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000033358401 553955482 /nfs/dbraw/zinc/95/54/82/553955482.db2.gz GRJNUKVYUUIOSL-UHFFFAOYSA-N 0 0 621.758 6.129 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971159 553961106 /nfs/dbraw/zinc/96/11/06/553961106.db2.gz UVJNOXXQSVICLT-UITCBPOKSA-N 0 0 558.082 6.817 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971160 553961116 /nfs/dbraw/zinc/96/11/16/553961116.db2.gz UVJNOXXQSVICLT-MCIGQYRZSA-N 0 0 558.082 6.817 50 10 KKCARN COC(=O)c1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000034107127 553980626 /nfs/dbraw/zinc/98/06/26/553980626.db2.gz 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COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100269660 554268732 /nfs/dbraw/zinc/26/87/32/554268732.db2.gz SVEQHSSLQYRNOK-JCMHNJIXSA-N 0 0 595.524 6.294 50 10 KKCARN COc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000100269854 554268796 /nfs/dbraw/zinc/26/87/96/554268796.db2.gz KWSNCBZZSSOHOJ-KQWNVCNZSA-N 0 0 542.476 6.321 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccccc1C ZINC000100269862 554268849 /nfs/dbraw/zinc/26/88/49/554268849.db2.gz CDTVETZOFFLCCA-KQWNVCNZSA-N 0 0 603.503 6.472 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cccc(OCCOc5ccc(Cl)c(C)c5)c4)C3=N)S2)cc1 ZINC000100272696 554270360 /nfs/dbraw/zinc/27/03/60/554270360.db2.gz QFDKWCSXMLDLKI-POHYLTNWSA-N 0 0 531.037 6.082 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038179425 554273881 /nfs/dbraw/zinc/27/38/81/554273881.db2.gz VPYWFDOGBZLODB-LLAXRNSASA-N 0 0 523.637 6.164 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(Cl)c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038203862 554274331 /nfs/dbraw/zinc/27/43/31/554274331.db2.gz SZZREXPBJCUKKT-POLLDRIHSA-N 0 0 513.085 6.909 50 10 KKCARN COc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2C)cc1Br ZINC000100285860 554279961 /nfs/dbraw/zinc/27/99/61/554279961.db2.gz JEQKKGUPCFWVGB-UDWIEESQSA-N 0 0 526.774 6.162 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000039944181 554281270 /nfs/dbraw/zinc/28/12/70/554281270.db2.gz KCAQYHUNBVXJSK-BAYXNVEISA-N 0 0 518.708 5.153 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)C2=O)cc1OC ZINC000100305726 554293894 /nfs/dbraw/zinc/29/38/94/554293894.db2.gz HIZNFCKLKORJSV-HYARGMPZSA-N 0 0 584.701 5.279 50 10 KKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000100321829 554306099 /nfs/dbraw/zinc/30/60/99/554306099.db2.gz KBLNUCCSXSNGKX-PXLXIMEGSA-N 0 0 584.429 6.994 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000100322590 554306628 /nfs/dbraw/zinc/30/66/28/554306628.db2.gz ODPHWLNZALCYTO-MFKUBSTISA-N 0 0 534.659 5.744 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000100322477 554306640 /nfs/dbraw/zinc/30/66/40/554306640.db2.gz YCLYATDGIYYRAF-IWIPYMOSSA-N 0 0 537.663 5.067 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc(OC)c1OC ZINC000100323589 554307517 /nfs/dbraw/zinc/30/75/17/554307517.db2.gz RBFSGPYGEIQSSO-JMIUGGIZSA-N 0 0 576.121 5.253 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100338776 554323048 /nfs/dbraw/zinc/32/30/48/554323048.db2.gz XMPOCORWKNWGCM-YDZHTSKRSA-N 0 0 537.575 6.408 50 10 KKCARN CCN(CC)c1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)OC)cc1 ZINC000049597335 554323666 /nfs/dbraw/zinc/32/36/66/554323666.db2.gz JEWBHOYZNPPTKZ-SXOMAYOGSA-N 0 0 508.460 5.984 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000100353437 554332227 /nfs/dbraw/zinc/33/22/27/554332227.db2.gz DQCYNJDFNSZGBM-BKUYFWCQSA-N 0 0 544.123 6.016 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3cccc(C)c3)C1=N2 ZINC000053335078 554340717 /nfs/dbraw/zinc/34/07/17/554340717.db2.gz YTBOOTAHBINLTQ-MUUNZHRXSA-N 0 0 590.485 7.148 50 10 KKCARN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)N(c3ccc(OC)cc3)C2=S)cc1 ZINC000053338390 554342785 /nfs/dbraw/zinc/34/27/85/554342785.db2.gz UCEVDKXANUFACO-UHFFFAOYSA-N 0 0 573.674 6.455 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363680 554345838 /nfs/dbraw/zinc/34/58/38/554345838.db2.gz JFPWYBSYYOCSKL-UNMCSNQZSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(OC)c(OC)c3)N2)c1O ZINC000053362989 554345848 /nfs/dbraw/zinc/34/58/48/554345848.db2.gz NTFHJXWTYCUVSM-LVXARBLLSA-N 0 0 511.416 5.793 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363698 554346107 /nfs/dbraw/zinc/34/61/07/554346107.db2.gz CKTNIYULMHWDFR-IFMALSPDSA-N 0 0 565.103 6.902 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053363768 554346227 /nfs/dbraw/zinc/34/62/27/554346227.db2.gz XZACGKANWVRSPY-IFMALSPDSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363895 554346254 /nfs/dbraw/zinc/34/62/54/554346254.db2.gz UGLRRYUSDNLOKW-UNMCSNQZSA-N 0 0 555.097 7.447 50 10 KKCARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)cc1Br ZINC000053363929 554346516 /nfs/dbraw/zinc/34/65/16/554346516.db2.gz COUOFIUOWAZUGQ-HYBUGGRVSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364048 554346526 /nfs/dbraw/zinc/34/65/26/554346526.db2.gz FEAXVVLFEZZYBU-YIXXDRMTSA-N 0 0 509.444 6.347 50 10 KKCARN Cc1ccc([C@H]2N=C(c3ccc(Br)cc3)C[C@@H](c3cc(Br)ccc3O)N2)c(C)c1 ZINC000053363905 554346496 /nfs/dbraw/zinc/34/64/96/554346496.db2.gz PYBNMMFBBJIFTL-UPVQGACJSA-N 0 0 514.261 6.757 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364263 554346628 /nfs/dbraw/zinc/34/66/28/554346628.db2.gz XYMOEABBDSOVRG-WIOPSUGQSA-N 0 0 509.400 5.563 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364397 554347010 /nfs/dbraw/zinc/34/70/10/554347010.db2.gz BAXUCGYUXLJKSF-UPVQGACJSA-N 0 0 503.799 6.568 50 10 KKCARN COc1cccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364984 554347583 /nfs/dbraw/zinc/34/75/83/554347583.db2.gz SXEUSXILOIQDNU-FYYLOGMGSA-N 0 0 534.223 6.287 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364952 554347618 /nfs/dbraw/zinc/34/76/18/554347618.db2.gz ZVKCXJKAQZQBJU-URXFXBBRSA-N 0 0 548.250 6.678 50 10 KKCARN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3C)cc2)cc1 ZINC000100364361 554349375 /nfs/dbraw/zinc/34/93/75/554349375.db2.gz GDIISXSXYAHLHX-DEDYPNTBSA-N 0 0 565.866 6.175 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000100367862 554354195 /nfs/dbraw/zinc/35/41/95/554354195.db2.gz WXNQWKBFOZOAIG-UHFFFAOYSA-N 0 0 543.663 5.649 50 10 KKCARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000100425370 554386333 /nfs/dbraw/zinc/38/63/33/554386333.db2.gz BTCAUABYJCBUGL-JQJBXXCASA-N 0 0 548.086 8.270 50 10 KKCARN CC(C)(C)c1ccc(Oc2c(NC(=O)c3c(F)c(F)c(F)c(F)c3F)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000100437146 554393074 /nfs/dbraw/zinc/39/30/74/554393074.db2.gz QTCKWOOJSPVXJW-UHFFFAOYSA-N 0 0 565.494 7.500 50 10 KKCARN O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100475634 554400647 /nfs/dbraw/zinc/40/06/47/554400647.db2.gz LKSXTQHAYXSFKK-VCHYOVAHSA-N 0 0 510.902 6.933 50 10 KKCARN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000100475758 554400680 /nfs/dbraw/zinc/40/06/80/554400680.db2.gz PSEGZOWOPQRSIS-HZHRSRAPSA-N 0 0 571.474 6.217 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100526037 554409830 /nfs/dbraw/zinc/40/98/30/554409830.db2.gz XFGRLOAKGNAFFG-VPHSIRQSSA-N 0 0 622.574 5.750 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000100553100 554415321 /nfs/dbraw/zinc/41/53/21/554415321.db2.gz VDEPOTTVTHEUEV-ACRUOGEOSA-N 0 0 571.210 5.451 50 10 KKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000059645984 554416761 /nfs/dbraw/zinc/41/67/61/554416761.db2.gz PLTSQYHPIVEITB-RHGYRFJNSA-N 0 0 565.722 8.823 50 10 KKCARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000059646074 554417153 /nfs/dbraw/zinc/41/71/53/554417153.db2.gz FHQRQLWLMLRAII-YTZAWJCFSA-N 0 0 550.305 7.383 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000059646025 554417193 /nfs/dbraw/zinc/41/71/93/554417193.db2.gz OJWQFJGKDAEJQT-LZCXECNNSA-N 0 0 525.468 6.393 50 10 KKCARN CCn1c(=O)/c(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)s/c1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000100562680 554418737 /nfs/dbraw/zinc/41/87/37/554418737.db2.gz XXJPGPJLZPYZIH-UBKCSYDHSA-N 0 0 623.869 6.248 50 10 KKCARN CCCCCCOc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Br)cc1 ZINC000100566339 554419737 /nfs/dbraw/zinc/41/97/37/554419737.db2.gz HUCSFXPFXJBROR-SGWCAAJKSA-N 0 0 564.524 6.884 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000100642142 554436062 /nfs/dbraw/zinc/43/60/62/554436062.db2.gz GROHIVULQBZUCH-KRKDOYDSSA-N 0 0 543.443 5.253 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100642192 554436340 /nfs/dbraw/zinc/43/63/40/554436340.db2.gz SUPGAIOGUWYZLK-HHUYIJHCSA-N 0 0 557.470 5.643 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000100654404 554437275 /nfs/dbraw/zinc/43/72/75/554437275.db2.gz FMDZHMQEWFXPEC-WNUQXASFSA-N 0 0 550.681 5.452 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000100656717 554437963 /nfs/dbraw/zinc/43/79/63/554437963.db2.gz XVSVATGPVCAREI-CCYMOEEVSA-N 0 0 545.434 5.841 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100656662 554437965 /nfs/dbraw/zinc/43/79/65/554437965.db2.gz HGDGRSYDTGIYFZ-SXXRJMFASA-N 0 0 531.407 5.451 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=N)S1 ZINC000100656711 554437967 /nfs/dbraw/zinc/43/79/67/554437967.db2.gz VWEZTASIGRYXFN-UQJNUVEPSA-N 0 0 545.434 5.985 50 10 KKCARN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@H](c2ccc(OC)cc2)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100660805 554438524 /nfs/dbraw/zinc/43/85/24/554438524.db2.gz ZTHOOAYERUKBKN-URLMMPGGSA-N 0 0 520.581 6.158 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(C(F)(F)F)cc5)c(C)c43)CC2)cc1 ZINC000100664741 554439661 /nfs/dbraw/zinc/43/96/61/554439661.db2.gz YAZQTJJYLKGWAF-UHFFFAOYSA-N 0 0 527.572 5.606 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(C)cc5Br)c(C)c43)CC2)cc1 ZINC000100664722 554439692 /nfs/dbraw/zinc/43/96/92/554439692.db2.gz NEGQRCQKEZLTLT-UHFFFAOYSA-N 0 0 552.498 5.658 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000100666712 554440194 /nfs/dbraw/zinc/44/01/94/554440194.db2.gz ZIVJHXJJKSBXMA-YXSWLZRSSA-N 0 0 555.003 6.091 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000100672957 554441974 /nfs/dbraw/zinc/44/19/74/554441974.db2.gz RWHFTHUXMWPYPH-HJHPJDSYSA-N 0 0 556.644 5.528 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c(C)c1 ZINC000100696333 554451077 /nfs/dbraw/zinc/45/10/77/554451077.db2.gz HKUXLBWEYUSIDH-CLUKUMQNSA-N 0 0 514.910 6.864 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)c(OC)c1 ZINC000100701870 554452026 /nfs/dbraw/zinc/45/20/26/554452026.db2.gz VLZZAQRGPWWZAR-KGENOOAVSA-N 0 0 501.633 6.200 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000100710541 554453539 /nfs/dbraw/zinc/45/35/39/554453539.db2.gz YOVUNAFPBPJBNB-DKTQLMGPSA-N 0 0 540.645 5.632 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1OC ZINC000100710561 554453570 /nfs/dbraw/zinc/45/35/70/554453570.db2.gz KXEDEYJCYCDPGU-SQAZEOOISA-N 0 0 542.617 5.023 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000100711452 554453574 /nfs/dbraw/zinc/45/35/74/554453574.db2.gz GHSPBTDTQOYONY-WNUQXASFSA-N 0 0 526.618 5.437 50 10 KKCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2OC)c1 ZINC000100710567 554453590 /nfs/dbraw/zinc/45/35/90/554453590.db2.gz DIPCRNQKRQUREN-QCRXEWDHSA-N 0 0 542.617 5.023 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000100711574 554453870 /nfs/dbraw/zinc/45/38/70/554453870.db2.gz LXISVEPWZFSZDG-WNUQXASFSA-N 0 0 532.666 5.969 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1Cl ZINC000100711702 554454098 /nfs/dbraw/zinc/45/40/98/554454098.db2.gz VMAVEDPCYZHWGX-GDTLZWAQSA-N 0 0 547.464 6.125 50 10 KKCARN COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 ZINC000100711668 554454160 /nfs/dbraw/zinc/45/41/60/554454160.db2.gz UPWGLLUBSPHKPR-GKELFAJFSA-N 0 0 543.045 5.480 50 10 KKCARN CN(C)c1ccc([C@H](Nc2ccc(Br)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000100714761 554454575 /nfs/dbraw/zinc/45/45/75/554454575.db2.gz LPENRONQFOMACV-HHHXNRCGSA-N 0 0 537.394 7.977 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000100729510 554458998 /nfs/dbraw/zinc/45/89/98/554458998.db2.gz KUWPAAFOBVTJJR-VVFBJTNSSA-N 0 0 539.657 6.464 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100729474 554459070 /nfs/dbraw/zinc/45/90/70/554459070.db2.gz YIQRFVMKPONNBA-MZTPOYRLSA-N 0 0 576.612 5.065 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N[C@H](C)c3ccccc3)nc12 ZINC000100738017 554461557 /nfs/dbraw/zinc/46/15/57/554461557.db2.gz DVQXUGUUMUIFND-RMQQKZCOSA-N 0 0 526.687 5.620 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000100740339 554462870 /nfs/dbraw/zinc/46/28/70/554462870.db2.gz NLENNCIXWWHXFA-ZHTORMQUSA-N 0 0 546.571 5.595 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000100740446 554462892 /nfs/dbraw/zinc/46/28/92/554462892.db2.gz SRELMPAYDIMAPZ-XYGWBWBKSA-N 0 0 585.667 5.701 50 10 KKCARN Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000100762593 554468422 /nfs/dbraw/zinc/46/84/22/554468422.db2.gz AQFKZJXJOQSJCE-ULJHMMPZSA-N 0 0 526.687 5.367 50 10 KKCARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000100762535 554468473 /nfs/dbraw/zinc/46/84/73/554468473.db2.gz OZLPBHTTXSCZRA-BGQJIPHFSA-N 0 0 529.643 5.013 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000100763719 554469143 /nfs/dbraw/zinc/46/91/43/554469143.db2.gz ZUORFFPKWOORAS-ONQBAZCLSA-N 0 0 546.048 6.419 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(Sc3ccccc3)nc12 ZINC000100763758 554469455 /nfs/dbraw/zinc/46/94/55/554469455.db2.gz JQOUZSDGEYSCAT-XKZIYDEJSA-N 0 0 545.667 5.284 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)cc2OC)cc1 ZINC000100766966 554470598 /nfs/dbraw/zinc/47/05/98/554470598.db2.gz ZYYYCYSZGQJVMG-ODHKDCKASA-N 0 0 531.655 6.285 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC ZINC000100779258 554472192 /nfs/dbraw/zinc/47/21/92/554472192.db2.gz OKTROQPUQDMCDM-OZFLQLRCSA-N 0 0 529.018 5.090 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c(SCc4ccccc4)nc4ccccc43)C2=O)cc1 ZINC000100777818 554472207 /nfs/dbraw/zinc/47/22/07/554472207.db2.gz FEEXOMVWZNFFMY-ULJHMMPZSA-N 0 0 529.712 6.569 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000100797256 554473924 /nfs/dbraw/zinc/47/39/24/554473924.db2.gz VWCPTDVGZCXTKZ-FCQUAONHSA-N 0 0 520.035 5.097 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 ZINC000100799397 554474116 /nfs/dbraw/zinc/47/41/16/554474116.db2.gz AYCBEKODPQIWHR-WRLNMTLESA-N 0 0 541.629 5.856 50 10 KKCARN Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000100808484 554474747 /nfs/dbraw/zinc/47/47/47/554474747.db2.gz HGKSAEGKDJBPNI-JLPGSUDCSA-N 0 0 532.735 5.319 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000100834029 554483197 /nfs/dbraw/zinc/48/31/97/554483197.db2.gz KOXKHJRBGYPXGL-IWIPYMOSSA-N 0 0 606.085 6.046 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)cc1C ZINC000100837480 554484360 /nfs/dbraw/zinc/48/43/60/554484360.db2.gz KVNFBGZMJDRCRF-WOHYNUADSA-N 0 0 561.817 8.444 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000100837980 554484914 /nfs/dbraw/zinc/48/49/14/554484914.db2.gz YFFRHYZWXYNWEI-NHWUTJRPSA-N 0 0 588.154 7.152 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccccc1 ZINC000100838536 554486133 /nfs/dbraw/zinc/48/61/33/554486133.db2.gz TUXKYDLLFQASGD-FSGOGVSDSA-N 0 0 577.706 7.659 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCC(C)C ZINC000100838595 554486137 /nfs/dbraw/zinc/48/61/37/554486137.db2.gz KBKNWHGWRPPQCS-MGVXIEOLSA-N 0 0 567.780 8.235 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C1CCCC1 ZINC000100838523 554486267 /nfs/dbraw/zinc/48/62/67/554486267.db2.gz AAKUYBYKSQPGDR-VEILYXNESA-N 0 0 555.700 7.401 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100838955 554486683 /nfs/dbraw/zinc/48/66/83/554486683.db2.gz NTKIZOCJHVUIOG-USHMODERSA-N 0 0 590.170 7.400 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000100838943 554486723 /nfs/dbraw/zinc/48/67/23/554486723.db2.gz RWLMHXAPUPIAMH-IMRQLAEWSA-N 0 0 557.075 6.074 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000100840430 554488816 /nfs/dbraw/zinc/48/88/16/554488816.db2.gz KLBSPANXECQYDR-IMRQLAEWSA-N 0 0 543.689 7.259 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C1CCCCC1 ZINC000100840407 554488861 /nfs/dbraw/zinc/48/88/61/554488861.db2.gz ASFBMRAPPCXIMS-CEUNXORHSA-N 0 0 569.727 7.791 50 10 KKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000100840491 554489197 /nfs/dbraw/zinc/48/91/97/554489197.db2.gz MXOJYWRLHBGLKG-COEJQBHMSA-N 0 0 561.732 7.883 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000100870524 554498168 /nfs/dbraw/zinc/49/81/68/554498168.db2.gz KKLOXYPHGHUDLM-CLCOLTQESA-N 0 0 547.750 5.111 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)SC2=S)cc1OC ZINC000100870992 554498339 /nfs/dbraw/zinc/49/83/39/554498339.db2.gz HXFOPHSEXXMVAB-VEILYXNESA-N 0 0 587.723 6.018 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871263 554498345 /nfs/dbraw/zinc/49/83/45/554498345.db2.gz HBKLFPJYJAGKAU-ZXVVBBHZSA-N 0 0 556.669 6.290 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871257 554498404 /nfs/dbraw/zinc/49/84/04/554498404.db2.gz LFIWNXGWZFAYRF-VUTHCHCSSA-N 0 0 616.721 6.307 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000100871344 554499044 /nfs/dbraw/zinc/49/90/44/554499044.db2.gz IYTJDQNNBKQAMM-CCPXZDFDSA-N 0 0 551.753 7.885 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1C ZINC000100871482 554499325 /nfs/dbraw/zinc/49/93/25/554499325.db2.gz GHHZNCCVHMXVES-VEILYXNESA-N 0 0 557.716 7.567 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)SC1=S ZINC000100871587 554499636 /nfs/dbraw/zinc/49/96/36/554499636.db2.gz CRISVXLZZARVPL-AJYIMBPMSA-N 0 0 567.733 5.477 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Br)c3)C2=O)SC1=S ZINC000100871988 554499982 /nfs/dbraw/zinc/49/99/82/554499982.db2.gz NDAQVIPWBDQRSY-HNHDZATFSA-N 0 0 586.577 6.222 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000100872000 554500253 /nfs/dbraw/zinc/50/02/53/554500253.db2.gz ZYLRBFHEYZFJQX-FCQUAONHSA-N 0 0 538.025 5.236 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccccc4Cl)C3=O)SC2=S)cc1 ZINC000100872115 554500503 /nfs/dbraw/zinc/50/05/03/554500503.db2.gz IRHMJCBWYUVZAO-VHXPQNKSSA-N 0 0 534.062 5.405 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1Cl ZINC000100872099 554500525 /nfs/dbraw/zinc/50/05/25/554500525.db2.gz JSOPQXFYAXMYTB-VHXPQNKSSA-N 0 0 534.062 5.139 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)SC1=S ZINC000100872853 554501687 /nfs/dbraw/zinc/50/16/87/554501687.db2.gz OYRUIIUYOLCKRT-ZELGORGJSA-N 0 0 535.735 5.180 50 10 KKCARN CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(C)=O)cc1 ZINC000062602330 554507351 /nfs/dbraw/zinc/50/73/51/554507351.db2.gz PTFLCWOTSLAIJC-MHZLTWQESA-N 0 0 513.041 6.392 50 10 KKCARN CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000062637634 554507661 /nfs/dbraw/zinc/50/76/61/554507661.db2.gz PLOACPDWJKRXMJ-MUUNZHRXSA-N 0 0 506.650 6.437 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000100889610 554510963 /nfs/dbraw/zinc/51/09/63/554510963.db2.gz QUHJPUUCKOZMRA-UHFFFAOYSA-N 0 0 614.167 8.598 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000100893025 554512654 /nfs/dbraw/zinc/51/26/54/554512654.db2.gz CKFDLLQXSQIPAP-XGNMISCSSA-N 0 0 529.525 6.709 50 10 KKCARN CCOc1c(Br)cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000100935612 554529538 /nfs/dbraw/zinc/52/95/38/554529538.db2.gz GQNLSJONXFMEJB-UHFFFAOYSA-N 0 0 549.421 6.057 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000100935969 554529698 /nfs/dbraw/zinc/52/96/98/554529698.db2.gz BTQAGCLYKBSXTC-DHVTZTJESA-N 0 0 521.961 5.129 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000100940578 554532302 /nfs/dbraw/zinc/53/23/02/554532302.db2.gz FFNPMJFAFWDURH-WTPQPOPRSA-N 0 0 529.647 5.237 50 10 KKCARN Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 ZINC000100942704 554533031 /nfs/dbraw/zinc/53/30/31/554533031.db2.gz QFOPMPYYXUBQES-VLXLKOCRSA-N 0 0 532.025 5.559 50 10 KKCARN CC(C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl ZINC000100946387 554534472 /nfs/dbraw/zinc/53/44/72/554534472.db2.gz NNGHVLHRRWMQFK-NSLYMETJSA-N 0 0 546.052 5.984 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000100946656 554534563 /nfs/dbraw/zinc/53/45/63/554534563.db2.gz ZCYDRCONGTTWQX-JPHWSVEHSA-N 0 0 538.416 5.643 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000100971473 554543768 /nfs/dbraw/zinc/54/37/68/554543768.db2.gz ZSGISSXRUKFRKG-UODIDJSMSA-N 0 0 541.003 6.297 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000100977981 554547258 /nfs/dbraw/zinc/54/72/58/554547258.db2.gz JOWGPOSJOPBNCG-ILJQZKEFSA-N 0 0 542.591 5.509 50 10 KKCARN Cc1cc(I)ccc1NCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000100985170 554548449 /nfs/dbraw/zinc/54/84/49/554548449.db2.gz FDCYZOGKXXLUAI-FRKPEAEDSA-N 0 0 535.259 6.177 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1OC ZINC000101005509 554553730 /nfs/dbraw/zinc/55/37/30/554553730.db2.gz VHPYNIOINNBVPQ-UCQKPKSFSA-N 0 0 520.657 5.735 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000101025350 554563620 /nfs/dbraw/zinc/56/36/20/554563620.db2.gz PCQZQCJXNPZBAD-KLLVMDPRSA-N 0 0 537.085 6.061 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000101036408 554565511 /nfs/dbraw/zinc/56/55/11/554565511.db2.gz QEGCMMVKUKPSPT-NJIOILOSSA-N 0 0 532.647 5.580 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101038632 554567337 /nfs/dbraw/zinc/56/73/37/554567337.db2.gz RDMUHNJEWFUYAV-XFYDVPHZSA-N 0 0 536.386 5.230 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101071296 554575483 /nfs/dbraw/zinc/57/54/83/554575483.db2.gz BUMVCFYLKHBJOJ-AWCRTANDSA-N 0 0 605.444 6.674 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000101077939 554578122 /nfs/dbraw/zinc/57/81/22/554578122.db2.gz DVHDOLYJFVISKO-WQRHYEAKSA-N 0 0 531.160 6.186 50 10 KKCARN Cc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000101090854 554581956 /nfs/dbraw/zinc/58/19/56/554581956.db2.gz OJPWLODAILVYII-UHFFFAOYSA-N 0 0 543.442 6.766 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092703 554583024 /nfs/dbraw/zinc/58/30/24/554583024.db2.gz MIUULNHRMXJTIG-PKTNWEFCSA-N 0 0 561.435 6.160 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000101092738 554583274 /nfs/dbraw/zinc/58/32/74/554583274.db2.gz MLMFZWDCPMEWCC-YTCPBCGMSA-N 0 0 605.444 6.674 50 10 KKCARN O=C1C(=Cc2ccccc2OCc2c(F)cccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000101093742 554583543 /nfs/dbraw/zinc/58/35/43/554583543.db2.gz OLIUHCSFAJHGFN-UHFFFAOYSA-N 0 0 543.019 6.806 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101101195 554588018 /nfs/dbraw/zinc/58/80/18/554588018.db2.gz RWSVSQFDSVZUJJ-SSBOKUKZSA-N 0 0 549.548 7.022 50 10 KKCARN Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2Cl)c1 ZINC000101104908 554639890 /nfs/dbraw/zinc/63/98/90/554639890.db2.gz DOYBHBLELFZFIV-DEGVDWGGSA-N 0 0 536.057 5.249 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc2c(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cccc12 ZINC000101112531 554642126 /nfs/dbraw/zinc/64/21/26/554642126.db2.gz RNDSIJCWXQVCQW-GKTLAHRSSA-N 0 0 582.708 7.510 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1C ZINC000101128954 554647610 /nfs/dbraw/zinc/64/76/10/554647610.db2.gz GSCLDFIRJQYUID-MTDXEUNCSA-N 0 0 571.724 6.317 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000101129031 554647663 /nfs/dbraw/zinc/64/76/63/554647663.db2.gz UYFLZQZHJANCQP-SGWCAAJKSA-N 0 0 545.774 8.032 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000101129490 554648318 /nfs/dbraw/zinc/64/83/18/554648318.db2.gz DUWGVCNSLMDWBG-OEAKJJBVSA-N 0 0 592.058 5.656 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101129474 554648321 /nfs/dbraw/zinc/64/83/21/554648321.db2.gz WKKSIPDOVKNRFX-TURZUDJPSA-N 0 0 571.724 6.399 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S)c1ccccc1Cl ZINC000101129410 554648325 /nfs/dbraw/zinc/64/83/25/554648325.db2.gz NSFCKAUMYBSBLX-HYARGMPZSA-N 0 0 535.025 5.878 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000101129433 554648328 /nfs/dbraw/zinc/64/83/28/554648328.db2.gz KOXKHJRBGYPXGL-BUVRLJJBSA-N 0 0 606.085 6.046 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S ZINC000101129511 554648373 /nfs/dbraw/zinc/64/83/73/554648373.db2.gz KUGIZJRRYRVQHN-JWGRYVKWSA-N 0 0 554.579 7.719 50 10 KKCARN N=C1/C(=C\c2cn(CCCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101130877 554649975 /nfs/dbraw/zinc/64/99/75/554649975.db2.gz WNHBFVYREDILHZ-CORGUDEYSA-N 0 0 541.036 5.826 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Oc5ccc(Cl)cc5)cc4)C(=O)[C@H]23)cc1 ZINC000101136827 554651626 /nfs/dbraw/zinc/65/16/26/554651626.db2.gz ZIVSOIYCCBEZCJ-IARZGTGTSA-N 0 0 563.993 6.136 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 ZINC000101141901 554653652 /nfs/dbraw/zinc/65/36/52/554653652.db2.gz JOZNKKSRTZUNOI-RYQLWAFASA-N 0 0 545.430 6.430 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101142640 554654297 /nfs/dbraw/zinc/65/42/97/554654297.db2.gz LVDRHBHYPYSKBQ-QKNQBKEWSA-N 0 0 571.210 5.451 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 ZINC000101148564 554656620 /nfs/dbraw/zinc/65/66/20/554656620.db2.gz ZDEFXJGIFVXPFT-RYQLWAFASA-N 0 0 545.430 6.430 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101153135 554657831 /nfs/dbraw/zinc/65/78/31/554657831.db2.gz DJCMWCWCHAJWAP-PWRODBHTSA-N 0 0 526.759 5.342 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101159593 554659289 /nfs/dbraw/zinc/65/92/89/554659289.db2.gz GIWHFOAGGSDEJP-DYIKCSJPSA-N 0 0 540.575 5.323 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000101164196 554660771 /nfs/dbraw/zinc/66/07/71/554660771.db2.gz XIWDRQSYOHKFPH-WIEBLLQHSA-N 0 0 529.453 5.033 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C(C)=O)[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101180831 554666993 /nfs/dbraw/zinc/66/69/93/554666993.db2.gz AAQCXDOUQSWSBI-GSDHBNRESA-N 0 0 546.406 5.941 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2Cl)[C@@H]1C(=O)c1ccccc1 ZINC000101181360 554667154 /nfs/dbraw/zinc/66/71/54/554667154.db2.gz QGSJULWCRBDURP-DYIKCSJPSA-N 0 0 530.023 6.965 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000101191404 554670541 /nfs/dbraw/zinc/67/05/41/554670541.db2.gz IQDROZPUCBUVJO-QPTFLMPZSA-N 0 0 543.480 5.423 50 10 KKCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000101197618 554672311 /nfs/dbraw/zinc/67/23/11/554672311.db2.gz BTTSERMMEQYDKA-ITYLOYPMSA-N 0 0 533.575 6.911 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000101203625 554673708 /nfs/dbraw/zinc/67/37/08/554673708.db2.gz PCFRWOVXSDDJJE-OIFRRMEBSA-N 0 0 529.567 6.151 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000101211569 554679585 /nfs/dbraw/zinc/67/95/85/554679585.db2.gz IXHAEEBZNSFMDO-HZFUHODCSA-N 0 0 540.059 6.787 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000101214451 554680668 /nfs/dbraw/zinc/68/06/68/554680668.db2.gz UODMTUMEJHEPOS-DYIKCSJPSA-N 0 0 530.023 6.965 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 ZINC000101225501 554688740 /nfs/dbraw/zinc/68/87/40/554688740.db2.gz XDPBYEMUYNKIGZ-HBMCJLEFSA-N 0 0 525.866 5.054 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000101228745 554689144 /nfs/dbraw/zinc/68/91/44/554689144.db2.gz NWVMFYNMIORCKY-DYIKCSJPSA-N 0 0 547.557 6.290 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000101247560 554693845 /nfs/dbraw/zinc/69/38/45/554693845.db2.gz XQOBKQAMYHMHKR-DYIKCSJPSA-N 0 0 548.013 7.104 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000101253710 554694503 /nfs/dbraw/zinc/69/45/03/554694503.db2.gz PXRCVVHOVNZSKH-DYIKCSJPSA-N 0 0 531.558 6.590 50 10 KKCARN O=C(Nc1ccccc1)c1c(O)c(/N=N/c2ccc3c(c2)sc2sc4ccccc4c32)cc2ccccc21 ZINC000101302069 554713840 /nfs/dbraw/zinc/71/38/40/554713840.db2.gz FXGTVFXQRMXQCT-JEIPZWNWSA-N 0 0 529.646 9.796 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000101333821 554733880 /nfs/dbraw/zinc/73/38/80/554733880.db2.gz BFPBKKOCIDLUDF-RRAHZORUSA-N 0 0 555.594 6.681 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000101335347 554734337 /nfs/dbraw/zinc/73/43/37/554734337.db2.gz XYZGCEPECDYNNX-IOOSODASSA-N 0 0 553.731 5.025 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101343447 554736321 /nfs/dbraw/zinc/73/63/21/554736321.db2.gz XFKQAZQMKHVCCR-JCYYIGJDSA-N 0 0 539.603 5.892 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000101343901 554736342 /nfs/dbraw/zinc/73/63/42/554736342.db2.gz YGYRFLASACWORU-OCBJUFRSSA-N 0 0 548.013 7.104 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101344190 554736644 /nfs/dbraw/zinc/73/66/44/554736644.db2.gz SFRXOFUQGUYRFS-JFHPUIQFSA-N 0 0 543.594 6.459 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101343987 554736675 /nfs/dbraw/zinc/73/66/75/554736675.db2.gz JGWJPDDLBGMPNF-MPFGFTFXSA-N 0 0 538.087 7.512 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000101343993 554736698 /nfs/dbraw/zinc/73/66/98/554736698.db2.gz JICDNDNSBCFONL-JFHPUIQFSA-N 0 0 543.594 6.541 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000101344389 554736767 /nfs/dbraw/zinc/73/67/67/554736767.db2.gz BGTQGMOKLKZHLT-NGDRWEMDSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4C)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356932 554740547 /nfs/dbraw/zinc/74/05/47/554740547.db2.gz KBYIARRASLPCAL-RUZDIDTESA-N 0 0 584.742 5.622 50 10 KKCARN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 ZINC000101385383 554749475 /nfs/dbraw/zinc/74/94/75/554749475.db2.gz YGLLBVBKMVPCJJ-UDWIEESQSA-N 0 0 517.796 7.278 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(c5ccc(OC)cc5)C[C@@H]43)C2=O)cc1 ZINC000101391653 554755235 /nfs/dbraw/zinc/75/52/35/554755235.db2.gz XSYZUDYDFMATCI-GRKNLSHJSA-N 0 0 603.517 5.295 50 10 KKCARN COc1ccc(N2CCN3c4ccc(Br)cc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1 ZINC000101391736 554755473 /nfs/dbraw/zinc/75/54/73/554755473.db2.gz WUEOLOJFJUPNEQ-IXCJQBJRSA-N 0 0 565.899 5.772 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000101420023 554766933 /nfs/dbraw/zinc/76/69/33/554766933.db2.gz PWFYNVBGAKFHLB-RYRDNBLSSA-N 0 0 604.526 6.837 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000101441879 554773397 /nfs/dbraw/zinc/77/33/97/554773397.db2.gz AQEWVLDYGBCKOW-ZKZDLDBDSA-N 0 0 533.591 5.764 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C([C@@H](CC)c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000101441985 554773609 /nfs/dbraw/zinc/77/36/09/554773609.db2.gz ZDDIOVVXGBCKMM-KKDRPBEPSA-N 0 0 529.578 6.066 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000101453873 554776118 /nfs/dbraw/zinc/77/61/18/554776118.db2.gz WBAVFVLILGBZCS-ICLNSQMZSA-N 0 0 578.463 6.870 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 ZINC000101462704 554779404 /nfs/dbraw/zinc/77/94/04/554779404.db2.gz ZKHKFZXBIFCJPR-ZEEYILMLSA-N 0 0 541.629 5.774 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000101482488 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Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(F)cc1F)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000101623125 554810536 /nfs/dbraw/zinc/81/05/36/554810536.db2.gz HRJCKWRSEWKTIZ-LJAQVGFWSA-N 0 0 538.602 6.453 50 10 KKCARN COc1ccc(C)cc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101623075 554810567 /nfs/dbraw/zinc/81/05/67/554810567.db2.gz IYKHZUWUZRZIOO-HKBQPEDESA-N 0 0 546.675 6.492 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101670710 554823951 /nfs/dbraw/zinc/82/39/51/554823951.db2.gz RCDDHSQHFOGGKX-GMQQYTKMSA-N 0 0 556.470 7.371 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101670962 554824447 /nfs/dbraw/zinc/82/44/47/554824447.db2.gz JYUMAAKUTBGXFS-KWXIBIRDSA-N 0 0 569.629 5.900 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101671471 554824810 /nfs/dbraw/zinc/82/48/10/554824810.db2.gz 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CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101881109 554845936 /nfs/dbraw/zinc/84/59/36/554845936.db2.gz WAIQVUMTCBVHMT-UHFFFAOYSA-N 0 0 583.072 7.024 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000101894184 554846705 /nfs/dbraw/zinc/84/67/05/554846705.db2.gz WNRQBSVYCQHZND-ZFLZBDSRSA-N 0 0 557.588 5.037 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000101895777 554847184 /nfs/dbraw/zinc/84/71/84/554847184.db2.gz DNUUEZXHZDQMAK-PMERELPUSA-N 0 0 597.144 6.743 50 10 KKCARN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC000101917268 554850575 /nfs/dbraw/zinc/85/05/75/554850575.db2.gz GAQNBIKSXRAQSO-UHFFFAOYSA-N 0 0 552.587 5.320 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cc(-c4cccs4)on3)CC2)cc1 ZINC000101917265 554850668 /nfs/dbraw/zinc/85/06/68/554850668.db2.gz ZLRBZHGYTBDJQW-UHFFFAOYSA-N 0 0 528.590 5.373 50 10 KKCARN CCOc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000102038200 554869075 /nfs/dbraw/zinc/86/90/75/554869075.db2.gz PLSPATZRBRNERI-QRVIBDJDSA-N 0 0 554.422 6.417 50 10 KKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(I)c2O)N3)C1 ZINC000102089254 554877274 /nfs/dbraw/zinc/87/72/74/554877274.db2.gz DEUWUEUQPDGAIZ-XTZNXHDOSA-N 0 0 575.310 6.791 50 10 KKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(I)c2O)N3)C1 ZINC000102089246 554877296 /nfs/dbraw/zinc/87/72/96/554877296.db2.gz DEUWUEUQPDGAIZ-YPMLDQLKSA-N 0 0 575.310 6.791 50 10 KKCARN CN(C)c1ccc(CNC(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccc(Cl)cc3)cc2)cc1 ZINC000102211550 554897016 /nfs/dbraw/zinc/89/70/16/554897016.db2.gz QHUJCWWRCOGKFZ-UHFFFAOYSA-N 0 0 542.108 6.421 50 10 KKCARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000102280543 554906847 /nfs/dbraw/zinc/90/68/47/554906847.db2.gz FEOOJJLETLJOIC-UHFFFAOYSA-N 0 0 524.001 6.185 50 10 KKCARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000102309204 554909774 /nfs/dbraw/zinc/90/97/74/554909774.db2.gz GQSMKOKQWGREIG-VLYIQUAWSA-N 0 0 566.854 5.171 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000102437035 554928450 /nfs/dbraw/zinc/92/84/50/554928450.db2.gz WGBLTYCYISEQMK-RYOBIWAXSA-N 0 0 576.118 5.558 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)NCc1ccccc1 ZINC000102437902 554928749 /nfs/dbraw/zinc/92/87/49/554928749.db2.gz IUFGYKXJIYZZIV-UCQKPKSFSA-N 0 0 595.437 5.191 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3ccc4c(c3)OCO4)C1=N2 ZINC000102456504 554934532 /nfs/dbraw/zinc/93/45/32/554934532.db2.gz PXGGEQXXBKXFQS-GDLZYMKVSA-N 0 0 619.479 7.173 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3cc(C)ccc3C)C1=N2 ZINC000102458136 554934808 /nfs/dbraw/zinc/93/48/08/554934808.db2.gz NUXSIQAITRUUKY-SSEXGKCCSA-N 0 0 603.524 8.061 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3ccc(C)c(Cl)c3)C1=N2 ZINC000102457943 554934813 /nfs/dbraw/zinc/93/48/13/554934813.db2.gz ZBUISMZVJCGOGN-GDLZYMKVSA-N 0 0 623.942 8.406 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1 ZINC000102466897 554935937 /nfs/dbraw/zinc/93/59/37/554935937.db2.gz SNNNQSNJCVKYIK-KMXUBZHTSA-N 0 0 565.655 5.735 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102545511 554959094 /nfs/dbraw/zinc/95/90/94/554959094.db2.gz GMCMRZAATVOCBV-XWHIBYANSA-N 0 0 573.620 6.468 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102546168 554959116 /nfs/dbraw/zinc/95/91/16/554959116.db2.gz NRYGWLVYVALYTD-JFHPUIQFSA-N 0 0 576.048 6.674 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102562812 554968665 /nfs/dbraw/zinc/96/86/65/554968665.db2.gz LHPFYTCUCVSCOV-ZNZIZOMTSA-N 0 0 564.003 7.407 50 10 KKCARN COc1cccc(NC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000102593498 554974733 /nfs/dbraw/zinc/97/47/33/554974733.db2.gz CTQKEDBGCCKFSH-SSEXGKCCSA-N 0 0 532.648 6.183 50 10 KKCARN COc1cccc(NC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000102593495 554974780 /nfs/dbraw/zinc/97/47/80/554974780.db2.gz CTQKEDBGCCKFSH-PMERELPUSA-N 0 0 532.648 6.183 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc3c(c1)OCO3)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000102593581 554974894 /nfs/dbraw/zinc/97/48/94/554974894.db2.gz XRZDFXBSWGLQGI-PMERELPUSA-N 0 0 546.631 5.903 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000102617581 554984760 /nfs/dbraw/zinc/98/47/60/554984760.db2.gz ABDXZVIPVLKYEE-BHSBJAHRSA-N 0 0 602.348 6.840 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](NC(=O)c4ccccc4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 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6.022 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418312 555398064 /nfs/dbraw/zinc/39/80/64/555398064.db2.gz JOIZYXWSNREYAW-UHFFFAOYSA-N 0 0 546.517 5.174 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418333 555398104 /nfs/dbraw/zinc/39/81/04/555398104.db2.gz IYOLQQPXXNOIFS-UHFFFAOYSA-N 0 0 610.560 6.296 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103418284 555398148 /nfs/dbraw/zinc/39/81/48/555398148.db2.gz GZHKGCKAYLEYIG-UHFFFAOYSA-N 0 0 599.071 6.262 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103418356 555398538 /nfs/dbraw/zinc/39/85/38/555398538.db2.gz OVYZORONOYDTNU-VWLOTQADSA-N 0 0 635.705 6.541 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103528922 555429667 /nfs/dbraw/zinc/42/96/67/555429667.db2.gz QISJYVJCFSLULK-NGDRWEMDSA-N 0 0 547.557 6.290 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000103536652 555435871 /nfs/dbraw/zinc/43/58/71/555435871.db2.gz QLRCAJYHIBMDHP-ULNSLHSMSA-N 0 0 568.431 7.449 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000103536644 555435922 /nfs/dbraw/zinc/43/59/22/555435922.db2.gz QLRCAJYHIBMDHP-AWCRTANDSA-N 0 0 568.431 7.449 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000103538765 555437375 /nfs/dbraw/zinc/43/73/75/555437375.db2.gz BQTIQHYWWSOKNY-JFHPUIQFSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103541422 555438692 /nfs/dbraw/zinc/43/86/92/555438692.db2.gz KOSLSNNEURTIQT-OCBJUFRSSA-N 0 0 556.574 5.920 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103542077 555438695 /nfs/dbraw/zinc/43/86/95/555438695.db2.gz IGJPGVNAHHPVOF-OLUZHXLYSA-N 0 0 570.601 6.310 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103542907 555439447 /nfs/dbraw/zinc/43/94/47/555439447.db2.gz YFEBTZDEIHLWQO-OCBJUFRSSA-N 0 0 580.467 7.318 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103544478 555439797 /nfs/dbraw/zinc/43/97/97/555439797.db2.gz UXXOWEQNKKFAAB-NGDRWEMDSA-N 0 0 558.565 6.359 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000103551493 555444107 /nfs/dbraw/zinc/44/41/07/555444107.db2.gz CSGHYCRDAPNTCT-AWCRTANDSA-N 0 0 560.993 6.565 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000103593054 555452732 /nfs/dbraw/zinc/45/27/32/555452732.db2.gz IHUCJHPXEJOGFV-UCQKPKSFSA-N 0 0 531.099 6.290 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(I)c1 ZINC000103626163 555457669 /nfs/dbraw/zinc/45/76/69/555457669.db2.gz RTJYDOGNVIQTFB-FYJGNVAPSA-N 0 0 573.433 5.925 50 10 KKCARN CCc1ccc(N(C(C)=O)C2=NC(=O)/C(=C\c3cc(Br)c(OC(=O)c4ccccc4)c(OC)c3)S2)cc1 ZINC000103708697 555464461 /nfs/dbraw/zinc/46/44/61/555464461.db2.gz UHLSCNMKINSXFD-LFVJCYFKSA-N 0 0 579.472 6.263 50 10 KKCARN COc1ccc(OCCCn2cc(/C=C3\C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)c3ccccc32)cc1 ZINC000103750164 555467256 /nfs/dbraw/zinc/46/72/56/555467256.db2.gz YBBMPHNXJWJKGT-DXJUATFHSA-N 0 0 552.631 6.562 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000103751090 555467573 /nfs/dbraw/zinc/46/75/73/555467573.db2.gz MUVAKEGAIWSSPV-QHCAVLMZSA-N 0 0 584.698 6.365 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1CCOc1ccccc1C ZINC000103751727 555467843 /nfs/dbraw/zinc/46/78/43/555467843.db2.gz FDDNTXITNPELKO-HQVVKLGBSA-N 0 0 533.657 6.313 50 10 KKCARN O=S(=O)(Nc1ccc(O)c(C2=C(N3CCOCC3)/C(=C/c3ccc(Br)cc3)CC2)c1)c1ccccc1 ZINC000003170067 571360322 /nfs/dbraw/zinc/36/03/22/571360322.db2.gz PSIZZZQDUCZNOI-DYTRJAOYSA-N 0 0 567.505 5.876 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000103679952 571361928 /nfs/dbraw/zinc/36/19/28/571361928.db2.gz PNNOLQFBJSFQFD-CKCPWRDISA-N 0 0 528.852 6.722 50 10 KKCARN O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000103929969 571370062 /nfs/dbraw/zinc/37/00/62/571370062.db2.gz JUOLCLNTCNALHM-LRLWHOEESA-N 0 0 532.884 6.914 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104164473 571375791 /nfs/dbraw/zinc/37/57/91/571375791.db2.gz JXCCGXXMBRFCLA-NRUKRWIHSA-N 0 0 509.650 7.111 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104164476 571375820 /nfs/dbraw/zinc/37/58/20/571375820.db2.gz JXCCGXXMBRFCLA-BNHRFMORSA-N 0 0 509.650 7.111 50 10 KKCARN O=C1/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000104333380 571379351 /nfs/dbraw/zinc/37/93/51/571379351.db2.gz PXZIYAPESSFIQZ-QOTDLDGTSA-N 0 0 559.738 5.431 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000105796060 571408737 /nfs/dbraw/zinc/40/87/37/571408737.db2.gz SYAXXUGRNNCYSR-KWXIBIRDSA-N 0 0 566.476 6.827 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000105980924 571409822 /nfs/dbraw/zinc/40/98/22/571409822.db2.gz DXSXTHLHHKKGQI-CFRMEGHHSA-N 0 0 530.498 7.373 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000106019485 571410677 /nfs/dbraw/zinc/41/06/77/571410677.db2.gz WNASLEVFHMEBMF-FUWNPBJGSA-N 0 0 569.613 5.937 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000106018989 571410727 /nfs/dbraw/zinc/41/07/27/571410727.db2.gz JOQOPTGQLOFDFJ-QMOZSOIISA-N 0 0 557.577 6.067 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000106536133 571412943 /nfs/dbraw/zinc/41/29/43/571412943.db2.gz YCYWKAMLJMRQDE-NGDRWEMDSA-N 0 0 513.568 6.450 50 10 KKCARN CC(C)c1ccc(COc2cccc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c2)cc1 ZINC000108449458 571424718 /nfs/dbraw/zinc/42/47/18/571424718.db2.gz WGBFTHIHHTWIGP-QHCPKHFHSA-N 0 0 580.589 6.426 50 10 biogenic KKCARN O=C1C[C@H](c2cccc(OCc3ccccc3)c2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108450721 571425299 /nfs/dbraw/zinc/42/52/99/571425299.db2.gz DDXLWXXKYIOFND-HXUWFJFHSA-N 0 0 538.508 5.302 50 10 biogenic KKCARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000111441212 571432010 /nfs/dbraw/zinc/43/20/10/571432010.db2.gz FHQRQLWLMLRAII-QZTZHPFYSA-N 0 0 550.305 7.383 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000113626521 571441528 /nfs/dbraw/zinc/44/15/28/571441528.db2.gz WSODCBUOEMJFRG-FQEVSTJZSA-N 0 0 554.064 5.996 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000150339580 571457520 /nfs/dbraw/zinc/45/75/20/571457520.db2.gz JVVGLKKTAZYUQU-PMACEKPBSA-N 0 0 682.588 9.574 50 10 KKCARN COc1cc(NC(=O)[C@@H](N=Nc2ccc(-c3ccc(N=N[C@@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348890 571461333 /nfs/dbraw/zinc/46/13/33/571461333.db2.gz CTCGHGAGCLXAHB-ZWRBXZCYSA-N 0 0 752.055 9.308 50 10 KKCARN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150350744 571462018 /nfs/dbraw/zinc/46/20/18/571462018.db2.gz VCKVBZDSIXKJQE-WGARJPEWSA-N 0 0 626.960 5.643 50 10 KKCARN O=C1c2cccc3c2C(=O)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc21)OCCOCCO3 ZINC000150361398 571463807 /nfs/dbraw/zinc/46/38/07/571463807.db2.gz BTGQLABSOYZCLX-UHFFFAOYSA-N 0 0 666.726 7.698 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000150363405 571464290 /nfs/dbraw/zinc/46/42/90/571464290.db2.gz BTMZVQUJHVMEDM-KBNZVFGVSA-N 0 0 679.698 5.109 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000150368789 571465530 /nfs/dbraw/zinc/46/55/30/571465530.db2.gz HCVGMIHRAXXNNP-PRLWALMFSA-N 0 0 651.570 5.427 50 10 KKCARN COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000150386904 571469570 /nfs/dbraw/zinc/46/95/70/571469570.db2.gz XVQLRUFLSGTXAL-ZVBGSRNCSA-N 0 0 615.785 8.403 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1OCc1ccccc1Cl ZINC000150388474 571470996 /nfs/dbraw/zinc/47/09/96/571470996.db2.gz LMEYNGWPBRPNQE-JAIQZWGSSA-N 0 0 686.569 7.855 50 10 KKCARN Nc1ccc(Oc2ccc3nc(-c4ccc(I)cc4)c(-c4ccc(-c5nc6cc(Oc7ccc(N)cc7)ccc6nc5-c5ccc(I)cc5)cc4)nc3c2)cc1 ZINC000150398667 571477346 /nfs/dbraw/zinc/47/73/46/571477346.db2.gz VGJFJIQXUQQPPB-UHFFFAOYSA-N 0 0 952.594 12.199 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150407131 571479998 /nfs/dbraw/zinc/47/99/98/571479998.db2.gz DUFBWWIEBHYTLF-PKYOQBLNSA-N 0 0 697.051 5.868 50 10 KKCARN O=C(NCCCCCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000150413144 571484493 /nfs/dbraw/zinc/48/44/93/571484493.db2.gz CSICUJQBSUKDFJ-PXLJZGITSA-N 0 0 683.805 5.631 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000150434154 571494702 /nfs/dbraw/zinc/49/47/02/571494702.db2.gz AYHLZAYHYSWFIW-SRTOOPEESA-N 0 0 647.866 7.452 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CSc4nnc(-c5ccccc5Cl)n4-c4ccccc4Cl)n3)CC2)cc1 ZINC000150443399 571499454 /nfs/dbraw/zinc/49/94/54/571499454.db2.gz CRZSQCBMVYXVGC-UHFFFAOYSA-N 0 0 637.618 6.961 50 10 KKCARN CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CSc3nc4scc(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)c1 ZINC000150471721 571509682 /nfs/dbraw/zinc/50/96/82/571509682.db2.gz IRPQDRCIUMTBLM-UHFFFAOYSA-N 0 0 691.831 7.850 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)c2C)c1 ZINC000150473913 571510341 /nfs/dbraw/zinc/51/03/41/571510341.db2.gz JJRFTWWFMBLDBX-UHFFFAOYSA-N 0 0 641.771 6.282 50 10 KKCARN CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)SC1=S ZINC000150476276 571510853 /nfs/dbraw/zinc/51/08/53/571510853.db2.gz XNQJEBKMGSUQTO-NVNXTCNLSA-N 0 0 672.145 6.068 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000150481536 571512789 /nfs/dbraw/zinc/51/27/89/571512789.db2.gz NRWNPFKCCVIZMU-SRZZPIQSSA-N 0 0 646.279 5.886 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000150482576 571513251 /nfs/dbraw/zinc/51/32/51/571513251.db2.gz CVQVFNZXBSPKAX-RMORIDSASA-N 0 0 629.554 6.894 50 10 KKCARN CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(C5CCC(CCCCC)CC5)cc4)c4c3C(=O)c3ccccc3C4=O)cc2)CC1 ZINC000150485350 571515790 /nfs/dbraw/zinc/51/57/90/571515790.db2.gz BEDAVKJQEZYQIP-UHFFFAOYSA-N 0 0 751.024 12.675 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Br)c1 ZINC000150499106 571518373 /nfs/dbraw/zinc/51/83/73/571518373.db2.gz ZAUDFQMVPQHKHV-KGENOOAVSA-N 0 0 643.635 6.523 50 10 KKCARN Cc1c(OCC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000150524146 571520307 /nfs/dbraw/zinc/52/03/07/571520307.db2.gz HRGCOWQFCCAQSE-XUGJMRNFSA-N 0 0 678.954 11.100 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N3N=C4/C(=C\c5ccc(OC)cc5)CCC[C@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000150538468 571520478 /nfs/dbraw/zinc/52/04/78/571520478.db2.gz MWOAEBXAHIEWJU-XVQRKWBKSA-N 0 0 697.835 6.280 50 10 KKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000150597885 571522384 /nfs/dbraw/zinc/52/23/84/571522384.db2.gz NVYSYDXPVGWCDH-MTDXEUNCSA-N 0 0 645.566 7.372 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000150626032 571523690 /nfs/dbraw/zinc/52/36/90/571523690.db2.gz ARFPFNJZYNZPRZ-UCQKPKSFSA-N 0 0 634.415 7.271 50 10 KKCARN CCN1c2cc(-c3nc4ccccc4o3)ccc2N(c2ccccc2)/C1=C/C=C1/SC(=S)N(CCCCCC(=O)OC(C)C)C1=O ZINC000150628443 571523840 /nfs/dbraw/zinc/52/38/40/571523840.db2.gz OMBUGIISIOCZBY-XIBHFCPISA-N 0 0 652.842 8.570 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl ZINC000150656587 571527040 /nfs/dbraw/zinc/52/70/40/571527040.db2.gz RGSDHKMKQZUPII-XYGWBWBKSA-N 0 0 662.214 7.295 50 10 KKCARN Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C2/C(=C\c3ccc(N4CCOCC4)cc3)CCC[C@@H]2[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000150698704 571529154 /nfs/dbraw/zinc/52/91/54/571529154.db2.gz 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CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 ZINC000009273975 553232461 /nfs/dbraw/zinc/23/24/61/553232461.db2.gz IAFRTWVUXUTWMQ-DSITVLBTSA-N 0 0 516.366 5.611 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009293633 553235469 /nfs/dbraw/zinc/23/54/69/553235469.db2.gz BVSANMKORWGNLV-KKUQBAQOSA-N 0 0 513.996 6.528 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000009295770 553235689 /nfs/dbraw/zinc/23/56/89/553235689.db2.gz LUBHCYKCHYFJJD-UUYOSTAYSA-N 0 0 514.987 6.368 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000009296265 553235851 /nfs/dbraw/zinc/23/58/51/553235851.db2.gz SRTFEOHWGADJOL-NBZOHKLQSA-N 0 0 510.464 5.961 50 10 KKCARN CCC(CC)C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000009302164 553236385 /nfs/dbraw/zinc/23/63/85/553236385.db2.gz MVHITKRUCBDDMF-UHFFFAOYSA-N 0 0 505.683 5.324 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000009309150 553238020 /nfs/dbraw/zinc/23/80/20/553238020.db2.gz FHZRPCIBIQKTFI-QKDODKLFSA-N 0 0 513.977 5.380 50 10 KKCARN CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N21 ZINC000009309253 553238025 /nfs/dbraw/zinc/23/80/25/553238025.db2.gz HACUPTYMKASUIM-ZNZIZOMTSA-N 0 0 512.403 5.780 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000009309759 553238531 /nfs/dbraw/zinc/23/85/31/553238531.db2.gz YGTIMUFKMXCGCI-KWXIBIRDSA-N 0 0 526.032 6.397 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1C ZINC000009310005 553238753 /nfs/dbraw/zinc/23/87/53/553238753.db2.gz KYYWAHQYCOWPPA-ITYLOYPMSA-N 0 0 517.720 7.170 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1 ZINC000009310430 553238949 /nfs/dbraw/zinc/23/89/49/553238949.db2.gz YKTSVMOOLLKZQL-LPYMAVHISA-N 0 0 502.583 6.917 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1Br ZINC000009311291 553239489 /nfs/dbraw/zinc/23/94/89/553239489.db2.gz DRVDJWSINJVWSA-CAPFRKAQSA-N 0 0 513.347 7.089 50 10 KKCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000009311654 553239715 /nfs/dbraw/zinc/23/97/15/553239715.db2.gz SLNUFYKLIHTWJD-SRZZPIQSSA-N 0 0 514.434 5.236 50 10 KKCARN O=C1/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)SC(=S)N1Cc1ccco1 ZINC000009335011 553243488 /nfs/dbraw/zinc/24/34/88/553243488.db2.gz NFKSMBMXBBRQMH-JXXQQCOQSA-N 0 0 521.667 7.037 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000009359917 553248254 /nfs/dbraw/zinc/24/82/54/553248254.db2.gz LOTOYPQIQZPTRS-YTCPBCGMSA-N 0 0 515.996 6.656 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c(C)c1 ZINC000009360954 553248648 /nfs/dbraw/zinc/24/86/48/553248648.db2.gz DUQXIMIMSSPTDB-ULJHMMPZSA-N 0 0 507.681 5.874 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000009425463 553259497 /nfs/dbraw/zinc/25/94/97/553259497.db2.gz PHGXMNLJJJESLN-ZSAFTPKOSA-N 0 0 511.047 6.124 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1c(C)cccc1C ZINC000009425523 553259546 /nfs/dbraw/zinc/25/95/46/553259546.db2.gz OUYRYQBNGAYVAQ-CPNJWEJPSA-N 0 0 522.486 5.753 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCC)C2=O)cc1 ZINC000009427873 553260202 /nfs/dbraw/zinc/26/02/02/553260202.db2.gz IDXIBZINDVCQDK-MEFGMAGPSA-N 0 0 533.763 7.890 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000009434577 553263988 /nfs/dbraw/zinc/26/39/88/553263988.db2.gz KRQUBFBTNLWKJP-QKVDKRGOSA-N 0 0 519.410 5.407 50 10 KKCARN N=C1/C(=C/c2ccc(OCCCOc3ccc(Cl)cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000009436145 553264632 /nfs/dbraw/zinc/26/46/32/553264632.db2.gz MRYLJGNZTUENFX-LGZALBNISA-N 0 0 516.022 6.492 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000009438853 553264787 /nfs/dbraw/zinc/26/47/87/553264787.db2.gz RZJKCSFUGZTADA-CSYCHJTNSA-N 0 0 533.763 7.746 50 10 KKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1 ZINC000009453166 553266171 /nfs/dbraw/zinc/26/61/71/553266171.db2.gz USMZDASEEITNLV-CNEWXIHYSA-N 0 0 502.640 5.408 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000009455809 553266326 /nfs/dbraw/zinc/26/63/26/553266326.db2.gz LUITYTGSSSPVIC-GJFBBOBCSA-N 0 0 508.390 5.635 50 10 KKCARN Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1C ZINC000009455284 553266368 /nfs/dbraw/zinc/26/63/68/553266368.db2.gz PFLRVVVIDZHILS-XNNCMUMCSA-N 0 0 516.648 5.880 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000009458845 553266559 /nfs/dbraw/zinc/26/65/59/553266559.db2.gz WXMPABGTOXUMIO-RWPKSLMISA-N 0 0 517.998 5.298 50 10 KKCARN O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000009459527 553266708 /nfs/dbraw/zinc/26/67/08/553266708.db2.gz WZPBBRNJWLJDMV-HAVVHWLPSA-N 0 0 506.071 5.420 50 10 KKCARN CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4ccc(C)cc4C)c4ccccc34)C2=O)cc1 ZINC000009461661 553267790 /nfs/dbraw/zinc/26/77/90/553267790.db2.gz DMSATVAIMLWCDT-ITYLOYPMSA-N 0 0 507.590 5.566 50 10 KKCARN Cc1cc(C)cc(OCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000009463947 553269373 /nfs/dbraw/zinc/26/93/73/553269373.db2.gz FZTYYPHYMXPPFG-KTANTHGASA-N 0 0 520.618 5.400 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000009470269 553269745 /nfs/dbraw/zinc/26/97/45/553269745.db2.gz VLIKFKMFMBMALN-KRFWEUHSSA-N 0 0 519.692 6.098 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)c1 ZINC000009554023 553278896 /nfs/dbraw/zinc/27/88/96/553278896.db2.gz NRFRBIKNTTWNSO-CJMCXFJVSA-N 0 0 516.667 6.215 50 10 KKCARN COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000009557700 553279389 /nfs/dbraw/zinc/27/93/89/553279389.db2.gz ZMQINXOXSHNGTP-MVYHEMRASA-N 0 0 510.587 5.479 50 10 KKCARN CCOCCCNc1cc(N2CCN(c3ccccc3OC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000009612354 553289824 /nfs/dbraw/zinc/28/98/24/553289824.db2.gz JPKQMTYMSRGCOF-UHFFFAOYSA-N 0 0 512.610 5.213 50 10 KKCARN COc1ccccc1OCCCOc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1OC ZINC000009659733 553293213 /nfs/dbraw/zinc/29/32/13/553293213.db2.gz MTMXJAVPDGZTTF-BWAHOGKJSA-N 0 0 521.660 5.953 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c2cc(C)ccc2n1Cc1ccccc1 ZINC000009721041 553301166 /nfs/dbraw/zinc/30/11/66/553301166.db2.gz VSTFCKHDTVQMSA-CZIIDAIQSA-N 0 0 503.631 6.168 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C2=N)S1 ZINC000009724378 553301549 /nfs/dbraw/zinc/30/15/49/553301549.db2.gz KOSGVXOKFMDBRW-WZOBNIDESA-N 0 0 520.655 5.833 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000009762258 553303013 /nfs/dbraw/zinc/30/30/13/553303013.db2.gz IRPRVFSGAMIPAM-BOPFTXTBSA-N 0 0 511.406 5.100 50 10 KKCARN O=C1/C(=C/c2ccccc2OCCOc2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000009762217 553303044 /nfs/dbraw/zinc/30/30/44/553303044.db2.gz CPWPQRXWFTXLBK-JWGURIENSA-N 0 0 512.450 6.313 50 10 KKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000009845916 553311425 /nfs/dbraw/zinc/31/14/25/553311425.db2.gz BSJFWXIKQMDNMV-BWAHOGKJSA-N 0 0 502.611 5.444 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cnc6ccccc6c5)c(C)c43)CC2)cc1 ZINC000010013118 553325661 /nfs/dbraw/zinc/32/56/61/553325661.db2.gz BZCZSGOYNMOPBK-UHFFFAOYSA-N 0 0 510.623 5.135 50 10 KKCARN CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c3oc(=O)c(-c4nc5ccccc5s4)cc3c21 ZINC000011867639 553348066 /nfs/dbraw/zinc/34/80/66/553348066.db2.gz WQLXWPPRLPXQNI-UHFFFAOYSA-N 0 0 546.398 7.422 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000012285369 553356589 /nfs/dbraw/zinc/35/65/89/553356589.db2.gz QESTXSPLOSPXOW-UFSNQDPQSA-N 0 0 512.547 5.487 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000012285162 553356615 /nfs/dbraw/zinc/35/66/15/553356615.db2.gz ZMSJKACGKNWMQS-KGENOOAVSA-N 0 0 508.061 5.271 50 10 KKCARN COc1ccc(CN(C)CC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)c(OC)c1OC ZINC000012534817 553387589 /nfs/dbraw/zinc/38/75/89/553387589.db2.gz ICSRVQRONIQTHW-UHFFFAOYSA-N 0 0 506.521 5.333 50 10 KKCARN CCOC(=O)c1sc2ncn(CC(=O)c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)c2c1C ZINC000012545765 553391448 /nfs/dbraw/zinc/39/14/48/553391448.db2.gz DYPCSGLCESLDOH-UHFFFAOYSA-N 0 0 501.967 5.026 50 10 KKCARN Cc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1-c1ccc(I)cc1 ZINC000012573983 553398432 /nfs/dbraw/zinc/39/84/32/553398432.db2.gz LWBMYZGZMLDHFO-AREMUKBSSA-N 0 0 516.386 6.688 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c(C)c1 ZINC000012601871 553402009 /nfs/dbraw/zinc/40/20/09/553402009.db2.gz IKZZNHHDHCJQQM-LKBLTEDOSA-N 0 0 502.640 5.326 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(C(C)C)cc2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000012617373 553403024 /nfs/dbraw/zinc/40/30/24/553403024.db2.gz AOSASZBVWFSRQW-SDHOMARFSA-N 0 0 513.977 5.467 50 10 KKCARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)sc2c1CC[C@H](C)C2 ZINC000012650927 553409609 /nfs/dbraw/zinc/40/96/09/553409609.db2.gz PRTAOGFQYORERX-ZDUSSCGKSA-N 0 0 507.995 5.731 50 10 KKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1C ZINC000013145945 553454938 /nfs/dbraw/zinc/45/49/38/553454938.db2.gz GDNGKGJDCSHOTM-QGZVFWFLSA-N 0 0 510.015 6.064 50 10 KKCARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013149208 553456332 /nfs/dbraw/zinc/45/63/32/553456332.db2.gz MUPUUNGACZTPGT-NTCAYCPXSA-N 0 0 501.567 6.028 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3N(C(=O)C(C)C)C(C)(C)C2=S)S1 ZINC000013575162 553474845 /nfs/dbraw/zinc/47/48/45/553474845.db2.gz XZBVSMXXXCBSTQ-QOMWVZHYSA-N 0 0 509.718 6.918 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000013591054 553476794 /nfs/dbraw/zinc/47/67/94/553476794.db2.gz BHQSCEYWEAXKCZ-KGENOOAVSA-N 0 0 508.024 5.804 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000013646014 553479836 /nfs/dbraw/zinc/47/98/36/553479836.db2.gz MDQBIZLGMFTNEB-KIRASVQDSA-N 0 0 526.772 5.903 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000013646016 553479841 /nfs/dbraw/zinc/47/98/41/553479841.db2.gz MDQBIZLGMFTNEB-LGNHMBIKSA-N 0 0 526.772 5.903 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000013646022 553479843 /nfs/dbraw/zinc/47/98/43/553479843.db2.gz MDQBIZLGMFTNEB-HJPFTELSSA-N 0 0 526.772 5.903 50 10 KKCARN CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 ZINC000013713795 553486334 /nfs/dbraw/zinc/48/63/34/553486334.db2.gz NSDVXTDBEKNQMJ-XHPQRKPJSA-N 0 0 516.736 7.134 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000013750374 553487708 /nfs/dbraw/zinc/48/77/08/553487708.db2.gz QXXRVXBBFBUDGT-ACXJOVJBSA-N 0 0 506.697 5.592 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000013751137 553487972 /nfs/dbraw/zinc/48/79/72/553487972.db2.gz POCIDJKSKJCAOO-RELWKKBWSA-N 0 0 506.697 5.073 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1 ZINC000013757362 553488288 /nfs/dbraw/zinc/48/82/88/553488288.db2.gz CKXXXDHDLIPKGZ-OIHNEICTSA-N 0 0 500.668 6.420 50 10 KKCARN Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1C ZINC000013757916 553488519 /nfs/dbraw/zinc/48/85/19/553488519.db2.gz LXKUWTPTHLPQNK-XAUISYEUSA-N 0 0 511.607 5.214 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000013774876 553489818 /nfs/dbraw/zinc/48/98/18/553489818.db2.gz CZSNHYQMHYYRFS-KQWNVCNZSA-N 0 0 521.733 6.225 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S ZINC000013785551 553490433 /nfs/dbraw/zinc/49/04/33/553490433.db2.gz VLUMALXYADKFFF-BWAHOGKJSA-N 0 0 505.709 7.028 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013785963 553490655 /nfs/dbraw/zinc/49/06/55/553490655.db2.gz OPSLHSGSDMCIHU-QJSMOPQASA-N 0 0 506.414 6.877 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C ZINC000013802037 553491567 /nfs/dbraw/zinc/49/15/67/553491567.db2.gz WRPRQLPJPHFUNQ-HRXKUDGMSA-N 0 0 505.665 5.627 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013809897 553492069 /nfs/dbraw/zinc/49/20/69/553492069.db2.gz OAXACHISOILOKN-VBQUMQFVSA-N 0 0 516.022 6.622 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000013831090 553492928 /nfs/dbraw/zinc/49/29/28/553492928.db2.gz AWPVJENCARCDPF-NTKDMRAZSA-N 0 0 515.791 5.768 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc([C@H](C)CC)cc1 ZINC000013892813 553494194 /nfs/dbraw/zinc/49/41/94/553494194.db2.gz KWYNDYTZEBBSCC-BXDFRRGMSA-N 0 0 520.116 6.931 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000013893973 553494301 /nfs/dbraw/zinc/49/43/01/553494301.db2.gz PNXMDYKUROVBPO-IWIPYMOSSA-N 0 0 506.605 5.974 50 10 KKCARN CC(C)(C)c1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000013894590 553494535 /nfs/dbraw/zinc/49/45/35/553494535.db2.gz ISZVBVBTMWZPPW-QOMWVZHYSA-N 0 0 503.689 7.238 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)c1 ZINC000013895267 553494556 /nfs/dbraw/zinc/49/45/56/553494556.db2.gz ZVQABERESOZPEU-WTPQPOPRSA-N 0 0 506.628 5.299 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 ZINC000013899384 553495209 /nfs/dbraw/zinc/49/52/09/553495209.db2.gz QMCWCYPCMSSWSX-BSMJIXEWSA-N 0 0 522.627 5.217 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000013940453 553496314 /nfs/dbraw/zinc/49/63/14/553496314.db2.gz VRFJQYFCDRBBBV-LPYMAVHISA-N 0 0 509.375 6.372 50 10 KKCARN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000013941155 553496500 /nfs/dbraw/zinc/49/65/00/553496500.db2.gz LJYCMMSCLDWTIY-ABGRUQAOSA-N 0 0 500.554 6.196 50 10 KKCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCCCOc1cc(C)cc(C)c1 ZINC000013940635 553496546 /nfs/dbraw/zinc/49/65/46/553496546.db2.gz LDPDUJHXUNLHLR-ITYLOYPMSA-N 0 0 519.688 6.561 50 10 KKCARN Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013941852 553496671 /nfs/dbraw/zinc/49/66/71/553496671.db2.gz GZAFKENBFKRDPJ-ZHZULCJRSA-N 0 0 508.459 5.063 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000013941766 553496680 /nfs/dbraw/zinc/49/66/80/553496680.db2.gz CVDNNXPYGIQOPN-UQQQWYQISA-N 0 0 507.633 5.563 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000013943105 553496889 /nfs/dbraw/zinc/49/68/89/553496889.db2.gz VAVXSOTYHPHZQZ-QNGOZBTKSA-N 0 0 506.089 6.325 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(OCC)c3)C2=N)S1 ZINC000013942542 553496911 /nfs/dbraw/zinc/49/69/11/553496911.db2.gz BCTHEHVMNXCHCA-BFYSQZLCSA-N 0 0 520.655 5.969 50 10 KKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Br)N3)cc1C ZINC000014165974 553505740 /nfs/dbraw/zinc/50/57/40/553505740.db2.gz WQKNCDPGYRULND-YZIHRLCOSA-N 0 0 509.469 6.693 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c1 ZINC000015134040 553528225 /nfs/dbraw/zinc/52/82/25/553528225.db2.gz AOYBTCLHWXRMGG-HJVIKEODSA-N 0 0 504.594 5.740 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000015229598 553529723 /nfs/dbraw/zinc/52/97/23/553529723.db2.gz JMJNDCFOCVENSM-JRWMAURKSA-N 0 0 502.640 5.408 50 10 KKCARN COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O ZINC000015947356 553545354 /nfs/dbraw/zinc/54/53/54/553545354.db2.gz SCEJAWMXGVMTJH-OAQYLSRUSA-N 0 0 500.418 5.212 50 10 KKCARN CCOc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(N(CC)CC)cc2)cc(OCC)c1OCC ZINC000015953600 553545729 /nfs/dbraw/zinc/54/57/29/553545729.db2.gz SNCZWXBANJWZBM-CZMLNRTDSA-N 0 0 538.729 6.237 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000015954244 553545976 /nfs/dbraw/zinc/54/59/76/553545976.db2.gz QPYBGAJHDQJFEI-OIFRRMEBSA-N 0 0 511.577 6.012 50 10 biogenic KKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000015980616 553548609 /nfs/dbraw/zinc/54/86/09/553548609.db2.gz MVRFBSMPQIIRLZ-AWEZNQCLSA-N 0 0 506.342 5.502 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000015990090 553549509 /nfs/dbraw/zinc/54/95/09/553549509.db2.gz VIWWJJDEFLWBQG-OIFRRMEBSA-N 0 0 511.577 6.012 50 10 KKCARN COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000015999027 553549633 /nfs/dbraw/zinc/54/96/33/553549633.db2.gz DSYYNVWUYZRJKO-VXNXHJTFSA-N 0 0 504.369 5.600 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3c(cccc3OC(C)=O)C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016000747 553549895 /nfs/dbraw/zinc/54/98/95/553549895.db2.gz KKYUTANGNDARIO-KCHLEUMXSA-N 0 0 521.569 5.033 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000016312186 553559941 /nfs/dbraw/zinc/55/99/41/553559941.db2.gz DGRBZQJYNMVNJJ-COEJQBHMSA-N 0 0 512.634 7.358 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2-c2ccc(Cl)cc2)cc1 ZINC000016532332 553567319 /nfs/dbraw/zinc/56/73/19/553567319.db2.gz BVIKWEPGJBOJHJ-UHFFFAOYSA-N 0 0 520.460 6.731 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c1 ZINC000016700745 553574610 /nfs/dbraw/zinc/57/46/10/553574610.db2.gz KVJKNAFRQWVSHP-BWAHOGKJSA-N 0 0 521.708 6.264 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000016730092 553576327 /nfs/dbraw/zinc/57/63/27/553576327.db2.gz YSPCTUGLHOKYIT-BWAHOGKJSA-N 0 0 523.699 7.249 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016730793 553576685 /nfs/dbraw/zinc/57/66/85/553576685.db2.gz BFVMBGVKJUJUFB-SXZOAGKDSA-N 0 0 501.471 5.928 50 10 KKCARN CCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000016731854 553577307 /nfs/dbraw/zinc/57/73/07/553577307.db2.gz GFNCVGBSZCDMKC-VXPUYCOJSA-N 0 0 501.471 5.758 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 ZINC000016732228 553577544 /nfs/dbraw/zinc/57/75/44/553577544.db2.gz SWCDNEMTHHTHSZ-HNENSFHCSA-N 0 0 505.459 5.741 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000016735919 553578854 /nfs/dbraw/zinc/57/88/54/553578854.db2.gz PFSDYPBFKFNGRZ-JCMHNJIXSA-N 0 0 518.495 5.905 50 10 KKCARN COc1ccc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000016993892 553586036 /nfs/dbraw/zinc/58/60/36/553586036.db2.gz GFMSNAOJHMXHON-HZHRSRAPSA-N 0 0 507.612 5.032 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000020176008 553602157 /nfs/dbraw/zinc/60/21/57/553602157.db2.gz BJNRYYKLWYRXCK-IWIPYMOSSA-N 0 0 506.605 5.974 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070687131 553606192 /nfs/dbraw/zinc/60/61/92/553606192.db2.gz WPCMTYUUNYPEBU-OWHBQTKESA-N 0 0 571.629 6.029 50 10 biogenic KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000018181526 553607718 /nfs/dbraw/zinc/60/77/18/553607718.db2.gz RVURBOGPHSVYAN-HJOGWXRNSA-N 0 0 517.940 5.298 50 10 KKCARN N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(SCCOc3ccccc3)=NN21 ZINC000020238884 553624359 /nfs/dbraw/zinc/62/43/59/553624359.db2.gz GGOZCGWQBLJQDG-HORDIMCOSA-N 0 0 510.622 5.554 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1 ZINC000019947750 553646406 /nfs/dbraw/zinc/64/64/06/553646406.db2.gz BPGDYXBYNJWDPL-WEMUOSSPSA-N 0 0 510.707 5.910 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000084460174 553677242 /nfs/dbraw/zinc/67/72/42/553677242.db2.gz NMPYAHDHEAPYLY-CVDCTZTESA-N 0 0 548.206 6.008 50 10 KKCARN CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020731028 553691840 /nfs/dbraw/zinc/69/18/40/553691840.db2.gz SPQSKMYHXVDLAW-UHFFFAOYSA-N 0 0 519.517 5.912 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OC)cc3)ccc21 ZINC000020730840 553691869 /nfs/dbraw/zinc/69/18/69/553691869.db2.gz KVNNPFBMYHUTDO-UHFFFAOYSA-N 0 0 510.748 5.169 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(Cl)cc3OC)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000020731220 553691874 /nfs/dbraw/zinc/69/18/74/553691874.db2.gz SOPKPDFUTOUOHO-CPJSRVTESA-N 0 0 500.152 7.289 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C(F)(F)F)c3)[C@H]3CCCC[C@@H]3C)ccc21 ZINC000020731228 553692195 /nfs/dbraw/zinc/69/21/95/553692195.db2.gz LQJDCAJCWASWSZ-CPJSRVTESA-N 0 0 503.678 7.646 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000020114588 553695705 /nfs/dbraw/zinc/69/57/05/553695705.db2.gz UEAIKMMYFCQQOG-LXEXHQCYSA-N 0 0 517.032 5.054 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000020114590 553695711 /nfs/dbraw/zinc/69/57/11/553695711.db2.gz KUCSXGVAPITGKG-VZKNCDIUSA-N 0 0 517.032 5.136 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000020763976 553696437 /nfs/dbraw/zinc/69/64/37/553696437.db2.gz XYNLEGAGJDARFC-RBBKRZOGSA-N 0 0 510.646 7.337 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764357 553696622 /nfs/dbraw/zinc/69/66/22/553696622.db2.gz AKFVWVYTCCVVNZ-BWKNWUBXSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(C(F)(F)F)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764480 553696656 /nfs/dbraw/zinc/69/66/56/553696656.db2.gz SFOBKOZAYLCOKW-LADGPHEKSA-N 0 0 519.361 6.795 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764905 553696957 /nfs/dbraw/zinc/69/69/57/553696957.db2.gz VQCNFYVWJGVIRN-NZQKXSOJSA-N 0 0 500.780 6.247 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764909 553697061 /nfs/dbraw/zinc/69/70/61/553697061.db2.gz VQCNFYVWJGVIRN-REWPJTCUSA-N 0 0 500.780 6.247 50 10 KKCARN O=C1/C(=C\c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000095703687 553708688 /nfs/dbraw/zinc/70/86/88/553708688.db2.gz YJVSXCCJEUQSBG-FYJGNVAPSA-N 0 0 543.489 6.910 50 10 KKCARN CCOC(=O)c1c(CSc2ccccc2)n(-c2ccc(C)cc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000095763321 553713296 /nfs/dbraw/zinc/71/32/96/553713296.db2.gz IEQRCJAXGHZSJC-UHFFFAOYSA-N 0 0 553.522 6.938 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(CCCCCCN3C(=O)/C(=C/c4ccc(O)c(OC)c4)SC3=S)C2=O)ccc1O ZINC000096022270 553720396 /nfs/dbraw/zinc/72/03/96/553720396.db2.gz FFSSPDCUTNQHHZ-MPKYGIEOSA-N 0 0 616.808 5.778 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000096290275 553743342 /nfs/dbraw/zinc/74/33/42/553743342.db2.gz HQTYPFCCCFCUPL-UHFFFAOYSA-N 0 0 513.582 5.013 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)COC ZINC000096290291 553743400 /nfs/dbraw/zinc/74/34/00/553743400.db2.gz BETUVEJDAFWNRP-KRWDZBQOSA-N 0 0 531.502 5.381 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(C)=O)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096290634 553743801 /nfs/dbraw/zinc/74/38/01/553743801.db2.gz OHFLUPQVUFGSJS-FQEVSTJZSA-N 0 0 529.486 5.135 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000096325065 553752090 /nfs/dbraw/zinc/75/20/90/553752090.db2.gz KZWBGUXNUSAWDF-CJFMBICVSA-N 0 0 513.363 5.644 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2ccccc2F)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096398736 553753109 /nfs/dbraw/zinc/75/31/09/553753109.db2.gz BPMQYAWKGOTTMF-HFEODXCFSA-N 0 0 526.656 6.160 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)Nc4cccc(OC)c4)[C@@H]3C2)cc1 ZINC000096457073 553754518 /nfs/dbraw/zinc/75/45/18/553754518.db2.gz GTEQDPJPDCDVAC-AHWVRZQESA-N 0 0 511.544 5.229 50 10 KKCARN O=C1/C(=C/c2coc(-c3ccc(I)cc3)c2)SC(=S)N1Cc1ccccc1 ZINC000097362642 553758531 /nfs/dbraw/zinc/75/85/31/553758531.db2.gz FUPWZZMPPJLJOQ-ODLFYWEKSA-N 0 0 503.386 5.953 50 10 KKCARN COc1ccccc1N1C(=O)C(=Cc2c3ccccc3cc3ccccc32)C(=O)N(c2ccccc2OC)C1=O ZINC000097944151 553768736 /nfs/dbraw/zinc/76/87/36/553768736.db2.gz HCPNIIJFDAOVEH-UHFFFAOYSA-N 0 0 528.564 6.594 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000097944347 553769363 /nfs/dbraw/zinc/76/93/63/553769363.db2.gz AEMYKNPVRRVFBL-NKFKGCMQSA-N 0 0 540.413 7.357 50 10 KKCARN COc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000097944489 553769793 /nfs/dbraw/zinc/76/97/93/553769793.db2.gz JAVUEOFXOXYFIZ-AUWJEWJLSA-N 0 0 553.219 6.645 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000097944905 553770396 /nfs/dbraw/zinc/77/03/96/553770396.db2.gz QSCWCBJZRXBGRY-FZEVDNDPSA-N 0 0 652.600 5.759 50 10 KKCARN Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000097945965 553775707 /nfs/dbraw/zinc/77/57/07/553775707.db2.gz ISUWSAKUSMTXNU-NDEPHWFRSA-N 0 0 540.015 6.359 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)cc1 ZINC000097946109 553776642 /nfs/dbraw/zinc/77/66/42/553776642.db2.gz PSWNEGARXXSSJM-STZFKDTASA-N 0 0 599.184 6.414 50 10 KKCARN COc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000097946119 553776646 /nfs/dbraw/zinc/77/66/46/553776646.db2.gz FMNRFJJKHKNRAH-ULJHMMPZSA-N 0 0 588.736 5.707 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 ZINC000097946330 553778446 /nfs/dbraw/zinc/77/84/46/553778446.db2.gz MKTGBXROVLZSGV-QXPFVDMISA-N 0 0 621.759 7.710 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S)c1ccccc1Cl ZINC000097946350 553778679 /nfs/dbraw/zinc/77/86/79/553778679.db2.gz ODOBRVAYOUSVBC-HMAPJEAMSA-N 0 0 551.480 6.392 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000097946428 553779283 /nfs/dbraw/zinc/77/92/83/553779283.db2.gz JBJHFKGWJBDYON-GTWSWNCMSA-N 0 0 528.587 7.064 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C1CCCCC1 ZINC000097946447 553779510 /nfs/dbraw/zinc/77/95/10/553779510.db2.gz HNRBQHWTXQPCTO-RHANQZHGSA-N 0 0 620.627 8.959 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946452 553779513 /nfs/dbraw/zinc/77/95/13/553779513.db2.gz YZAJZYOBIKKEBX-QSCCQHLRSA-N 0 0 650.697 9.843 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)cc1F ZINC000097946494 553779767 /nfs/dbraw/zinc/77/97/67/553779767.db2.gz HVFJZSBMXFSPSK-MYYYXRDXSA-N 0 0 550.080 7.132 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000097946511 553779817 /nfs/dbraw/zinc/77/98/17/553779817.db2.gz MVTWBOKPHFGHDU-OVZSPSEASA-N 0 0 535.735 6.974 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1F ZINC000097946492 553779833 /nfs/dbraw/zinc/77/98/33/553779833.db2.gz IIXYSSGQIDFUMK-IMRQLAEWSA-N 0 0 559.688 6.530 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000097946517 553780019 /nfs/dbraw/zinc/78/00/19/553780019.db2.gz VMIKYJSJLISZSV-MYYYXRDXSA-N 0 0 550.080 7.132 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)c(C)c1 ZINC000097946546 553780251 /nfs/dbraw/zinc/78/02/51/553780251.db2.gz LSBIVBJYRIXDPV-ZTUOXYGRSA-N 0 0 527.671 5.621 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097946618 553780554 /nfs/dbraw/zinc/78/05/54/553780554.db2.gz ZDSKNAFHNYAJAK-UXUSTZIMSA-N 0 0 631.867 9.689 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1Cl ZINC000097946652 553780750 /nfs/dbraw/zinc/78/07/50/553780750.db2.gz IUGVYADSIISDQI-TYRKEJLSSA-N 0 0 560.144 7.944 50 10 KKCARN CCOC(=O)C1CCN(C(=O)CCc2ccc(-c3ccc(OC)cc3)n2-c2ccc(SC)cc2)CC1 ZINC000023449687 553781668 /nfs/dbraw/zinc/78/16/68/553781668.db2.gz RSARQRCJNIHWSF-UHFFFAOYSA-N 0 0 506.668 5.609 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3c(=O)n4ccccc4nc3N3CCC(Cc4ccccc4)CC3)SC2=S)cc1OC ZINC000097946830 553781852 /nfs/dbraw/zinc/78/18/52/553781852.db2.gz DMECJFRFJSHIGE-IADYIPOJSA-N 0 0 626.804 5.615 50 10 KKCARN COCCCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947000 553782836 /nfs/dbraw/zinc/78/28/36/553782836.db2.gz KMAATKDNSOPRMB-DJAVKIJBSA-N 0 0 589.950 5.438 50 10 KKCARN CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947002 553782867 /nfs/dbraw/zinc/78/28/67/553782867.db2.gz CYTWZLHKPNXAQY-JOIYNNFJSA-N 0 0 543.925 5.732 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947029 553783114 /nfs/dbraw/zinc/78/31/14/553783114.db2.gz YLQGHZGOXUILKN-BGNJQPOKSA-N 0 0 642.029 8.307 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947018 553783141 /nfs/dbraw/zinc/78/31/41/553783141.db2.gz YDOLCBLSOSZZIO-VNSJDZJPSA-N 0 0 595.957 6.193 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097947065 553783331 /nfs/dbraw/zinc/78/33/31/553783331.db2.gz QQIYVAMDEVBCIR-GAASDFDMSA-N 0 0 526.481 5.682 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000097947112 553783627 /nfs/dbraw/zinc/78/36/27/553783627.db2.gz DUEHTRAJVFTKSR-OFWBYEQRSA-N 0 0 526.596 6.391 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000097947135 553783913 /nfs/dbraw/zinc/78/39/13/553783913.db2.gz ONXFNUXURFZHFO-MTJSOVHGSA-N 0 0 528.497 6.168 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000097947214 553784672 /nfs/dbraw/zinc/78/46/72/553784672.db2.gz FIQFWMKWOPBYEA-GMSRUEHWSA-N 0 0 656.638 6.813 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947221 553784690 /nfs/dbraw/zinc/78/46/90/553784690.db2.gz NSQXHVGUJRWYJX-SNCSUOKWSA-N 0 0 603.813 9.053 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccco1 ZINC000097947388 553785865 /nfs/dbraw/zinc/78/58/65/553785865.db2.gz UBRITXXCFJZSJS-PDGQHHTCSA-N 0 0 540.420 5.244 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000097947418 553786010 /nfs/dbraw/zinc/78/60/10/553786010.db2.gz PRZNGVOGTZQBAP-MOHJPFBDSA-N 0 0 566.749 5.090 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O ZINC000097948611 553795214 /nfs/dbraw/zinc/79/52/14/553795214.db2.gz ASYKOUUZBZIDHG-HXUWFJFHSA-N 0 0 585.970 6.966 50 10 KKCARN COc1ccc(-c2ccc(CCC(=O)NCCc3cccc(Cl)c3)n2-c2ccc(SC)cc2)cc1 ZINC000025147344 553795554 /nfs/dbraw/zinc/79/55/54/553795554.db2.gz HVLNKHIUGXQMQJ-UHFFFAOYSA-N 0 0 505.083 6.820 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)N(C1CCCCC1)C1CCCCC1 ZINC000025396089 553808128 /nfs/dbraw/zinc/80/81/28/553808128.db2.gz UYUKAJQWMWIFKU-UHFFFAOYSA-N 0 0 518.566 5.021 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000097951403 553808831 /nfs/dbraw/zinc/80/88/31/553808831.db2.gz UEWAHKIBZVFBQX-GDLZYMKVSA-N 0 0 538.482 8.025 50 10 KKCARN CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025578536 553811494 /nfs/dbraw/zinc/81/14/94/553811494.db2.gz MBBQXROXFPTUOS-ISKFKSNPSA-N 0 0 517.254 7.064 50 10 KKCARN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S ZINC000025581403 553811670 /nfs/dbraw/zinc/81/16/70/553811670.db2.gz GYBCQWBBIWFIKJ-NLRVBDNBSA-N 0 0 503.737 7.753 50 10 KKCARN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000097952139 553813498 /nfs/dbraw/zinc/81/34/98/553813498.db2.gz YCJJYVRHQNLDFK-PUCLRWMGSA-N 0 0 530.624 7.966 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000097952223 553814202 /nfs/dbraw/zinc/81/42/02/553814202.db2.gz ATXOABCRGLXXHK-GDLZYMKVSA-N 0 0 541.615 6.399 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025869125 553814399 /nfs/dbraw/zinc/81/43/99/553814399.db2.gz BYZQZFFMAVDJLT-UZLBHIALSA-N 0 0 506.219 6.221 50 10 KKCARN Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000026533703 553819085 /nfs/dbraw/zinc/81/90/85/553819085.db2.gz UWWLAGMURWEMSR-CNAMDKJTSA-N 0 0 518.708 5.448 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)cc1 ZINC000026675836 553820046 /nfs/dbraw/zinc/82/00/46/553820046.db2.gz LNCVTMKEKDVOAN-FEKMLCNFSA-N 0 0 504.955 5.444 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OC(C)C ZINC000026687551 553820326 /nfs/dbraw/zinc/82/03/26/553820326.db2.gz UUDGURIXTRUVFN-ITYLOYPMSA-N 0 0 500.668 6.481 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 ZINC000026687632 553820331 /nfs/dbraw/zinc/82/03/31/553820331.db2.gz IKIOEWAPXPHTCM-BRPDVVIDSA-N 0 0 504.634 7.079 50 10 KKCARN CC1(C)[C@H](C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)[C@H]1C=C(Cl)Cl ZINC000026967411 553822864 /nfs/dbraw/zinc/82/28/64/553822864.db2.gz QFKWKKLVLPCZQF-PPRUBKSZSA-N 0 0 512.480 5.563 50 10 KKCARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000026967335 553822874 /nfs/dbraw/zinc/82/28/74/553822874.db2.gz OEQAXYFNTHDGRE-OQQZXKPSSA-N 0 0 508.448 6.178 50 10 KKCARN CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000027025546 553824624 /nfs/dbraw/zinc/82/46/24/553824624.db2.gz QRNBUVSNUBHJDV-DPWKNNTCSA-N 0 0 515.871 5.612 50 10 KKCARN CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1c(Nc3ccccc3)ccc(Nc3ccccc3)c1C2=O ZINC000027468352 553825887 /nfs/dbraw/zinc/82/58/87/553825887.db2.gz DSIAHOKHPTVQDS-UHFFFAOYSA-N 0 0 506.514 5.800 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)N=C2c2ccc(Cl)cc2)cc1OC ZINC000027521673 553828123 /nfs/dbraw/zinc/82/81/23/553828123.db2.gz BPRLSXAJTUVYLF-NDENLUEZSA-N 0 0 508.958 5.218 50 10 KKCARN COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OC ZINC000027521747 553828165 /nfs/dbraw/zinc/82/81/65/553828165.db2.gz BHVASCWOMZVMTL-BKUYFWCQSA-N 0 0 507.384 5.618 50 10 KKCARN Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000027531859 553831984 /nfs/dbraw/zinc/83/19/84/553831984.db2.gz GZAFKENBFKRDPJ-XSFVSMFZSA-N 0 0 508.459 5.063 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000027533939 553832609 /nfs/dbraw/zinc/83/26/09/553832609.db2.gz DNKXXIPMUJWOSP-WWQHPMFZSA-N 0 0 520.655 6.086 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OCC)c3)C2=N)S1 ZINC000027549406 553833753 /nfs/dbraw/zinc/83/37/53/553833753.db2.gz AXNYTLMJDNRDIZ-VKRJAPGXSA-N 0 0 522.627 5.361 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(OCC)c3)C2=N)S1 ZINC000027549394 553833774 /nfs/dbraw/zinc/83/37/74/553833774.db2.gz AYRNBBPAEGFHAO-CLBQFBSBSA-N 0 0 520.655 5.969 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000027549729 553833812 /nfs/dbraw/zinc/83/38/12/553833812.db2.gz DLFWKGIDFHNMHL-ZVPJYGFCSA-N 0 0 506.628 5.435 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OCC)c3)C2=N)S1 ZINC000027549390 553833826 /nfs/dbraw/zinc/83/38/26/553833826.db2.gz ARSBUEGCLLEUNR-CLBQFBSBSA-N 0 0 520.655 5.969 50 10 KKCARN COc1cc(/C=C2\C(=O)N=C3SC(CC(C)C)=NN3C2=N)ccc1OCCSc1ccc(C)cc1 ZINC000027549751 553834101 /nfs/dbraw/zinc/83/41/01/553834101.db2.gz HBXVTRMUSQEMLF-AKZCVUIYSA-N 0 0 508.669 5.840 50 10 KKCARN COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000027572657 553835205 /nfs/dbraw/zinc/83/52/05/553835205.db2.gz PWZANRDMNKNQDJ-PWEHCQDJSA-N 0 0 511.603 5.847 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1Br ZINC000097957714 553847681 /nfs/dbraw/zinc/84/76/81/553847681.db2.gz HGBLZVQOSZWWMP-YWCAOALCSA-N 0 0 553.482 5.390 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC(=S)N1Cc1ccco1 ZINC000029747544 553847974 /nfs/dbraw/zinc/84/79/74/553847974.db2.gz FZTLKMHVDQZQQX-MOHJPFBDSA-N 0 0 542.686 5.148 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000097957770 553848153 /nfs/dbraw/zinc/84/81/53/553848153.db2.gz LDEVYPIFBJZZLM-WNUQXASFSA-N 0 0 548.665 5.751 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccc(C5CCCCC5)cc4)c4ccccc34)C2=N)S1 ZINC000097957800 553848473 /nfs/dbraw/zinc/84/84/73/553848473.db2.gz SVSUDFCFUZEPFL-LDVOUBGLSA-N 0 0 539.705 7.187 50 10 KKCARN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)SC2=S)cc1 ZINC000097957840 553848776 /nfs/dbraw/zinc/84/87/76/553848776.db2.gz ZOLLQHOUAWTAPP-IADYIPOJSA-N 0 0 589.779 7.805 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 ZINC000097957980 553850156 /nfs/dbraw/zinc/85/01/56/553850156.db2.gz QBGCGDQSGFWFCG-OHYRLLBTSA-N 0 0 538.673 6.634 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097957995 553850201 /nfs/dbraw/zinc/85/02/01/553850201.db2.gz PQFXBZWFGZUFIT-HAHDFKILSA-N 0 0 546.497 7.174 50 10 KKCARN Cc1cccc(C)c1OCCn1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc21 ZINC000097957983 553850206 /nfs/dbraw/zinc/85/02/06/553850206.db2.gz YDYMEGHVKJMWMS-FMDXRXRPSA-N 0 0 554.075 6.658 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 ZINC000097957981 553850231 /nfs/dbraw/zinc/85/02/31/553850231.db2.gz QBGCGDQSGFWFCG-YMRCUSNSSA-N 0 0 538.673 6.634 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097958003 553850414 /nfs/dbraw/zinc/85/04/14/553850414.db2.gz NFXPSEIJDAZPBT-MFARRGDHSA-N 0 0 567.111 6.883 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c2cc(C)ccc2n1CCOc1ccccc1C ZINC000097958027 553850494 /nfs/dbraw/zinc/85/04/94/553850494.db2.gz SMHJLEOESKACDJ-ARSUQUCFSA-N 0 0 547.684 6.621 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=O)N=C4SN=C(SCc5ccccc5)N4C3=N)cc2OC)cc1 ZINC000097958034 553850864 /nfs/dbraw/zinc/85/08/64/553850864.db2.gz LQUFPXXTMKEAML-KMNXHVDWSA-N 0 0 630.792 7.185 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000097958092 553851126 /nfs/dbraw/zinc/85/11/26/553851126.db2.gz XORRSKOXMDFBCV-QECQAOOJSA-N 0 0 561.063 6.172 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000097958504 553855166 /nfs/dbraw/zinc/85/51/66/553855166.db2.gz XBCZJHSYAMHXSX-FCXOWQFXSA-N 0 0 548.665 5.751 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000097958520 553855543 /nfs/dbraw/zinc/85/55/43/553855543.db2.gz ZISVPOHXKXVVIM-XQWBAOJFSA-N 0 0 543.045 5.624 50 10 KKCARN CCC(NCCN1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097958653 553856439 /nfs/dbraw/zinc/85/64/39/553856439.db2.gz LLSCUVDJUFQAMQ-HIXSDJFHSA-N 0 0 542.130 5.031 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccccc4OC)c(OCC)c3)C2=N)S1 ZINC000097958670 553856881 /nfs/dbraw/zinc/85/68/81/553856881.db2.gz NIDAFWPIJWHPQR-UMISLGHJSA-N 0 0 543.045 5.624 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc(OC)c1O ZINC000097958712 553857096 /nfs/dbraw/zinc/85/70/96/553857096.db2.gz WKKXSOYGSBFOEU-WQRHYEAKSA-N 0 0 538.050 6.251 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097958937 553859070 /nfs/dbraw/zinc/85/90/70/553859070.db2.gz ILRQYOFGWPBWNR-JIZKSDINSA-N 0 0 546.992 5.266 50 10 KKCARN CCCCCCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097958943 553859081 /nfs/dbraw/zinc/85/90/81/553859081.db2.gz AQOXLHQXIURANN-SWKFRHMKSA-N 0 0 561.769 7.677 50 10 KKCARN Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000097958970 553859348 /nfs/dbraw/zinc/85/93/48/553859348.db2.gz RARUDFHDXWNBLQ-VEILYXNESA-N 0 0 552.161 8.021 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000097959138 553861090 /nfs/dbraw/zinc/86/10/90/553861090.db2.gz HDOVZNQXGUJBEQ-VISUCOLNSA-N 0 0 520.973 5.734 50 10 KKCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000097960187 553868820 /nfs/dbraw/zinc/86/88/20/553868820.db2.gz UCLHJTDBDCZHKA-YZSQISJMSA-N 0 0 568.674 6.519 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCCOc1ccccc1C ZINC000097960175 553868909 /nfs/dbraw/zinc/86/89/09/553868909.db2.gz OWHCVDFKZSOIFL-AGEZNUCUSA-N 0 0 652.514 6.042 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S)c1ccccc1 ZINC000097960447 553871731 /nfs/dbraw/zinc/87/17/31/553871731.db2.gz HCWKDZRHVDBBGJ-YDZHTSKRSA-N 0 0 522.026 6.028 50 10 KKCARN CCCN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=S ZINC000097960832 553873683 /nfs/dbraw/zinc/87/36/83/553873683.db2.gz DHPOTQMGWZXOPJ-CPNJWEJPSA-N 0 0 561.910 6.800 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000097962123 553883356 /nfs/dbraw/zinc/88/33/56/553883356.db2.gz NUUFZYJOCVUBOA-ZVHZXABRSA-N 0 0 626.554 5.638 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000097962205 553883517 /nfs/dbraw/zinc/88/35/17/553883517.db2.gz KNNPMUZOFYANDN-FSJBWODESA-N 0 0 534.461 7.516 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000097962195 553883528 /nfs/dbraw/zinc/88/35/28/553883528.db2.gz TZMRZNGCNKYUKW-KEBDBYFISA-N 0 0 626.779 7.253 50 10 KKCARN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl ZINC000097962212 553883910 /nfs/dbraw/zinc/88/39/10/553883910.db2.gz DSLFGWGBNAEMEH-FRKPEAEDSA-N 0 0 520.818 6.134 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000097962667 553884926 /nfs/dbraw/zinc/88/49/26/553884926.db2.gz SFEKSDMEBBTDDB-QTTRZTASSA-N 0 0 637.543 5.119 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CCCC4)cc1 ZINC000033040538 553893520 /nfs/dbraw/zinc/89/35/20/553893520.db2.gz KLLIYVZHZFMITC-MHZLTWQESA-N 0 0 517.098 7.274 50 10 KKCARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040522 553893537 /nfs/dbraw/zinc/89/35/37/553893537.db2.gz UKHVLWYOQMASDJ-MUUNZHRXSA-N 0 0 512.679 6.629 50 10 KKCARN Cc1c(Cl)cccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040583 553893799 /nfs/dbraw/zinc/89/37/99/553893799.db2.gz FLMMBVARPIKAGQ-MUUNZHRXSA-N 0 0 531.125 7.583 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCc2ccccc2)CCCC4)cc1 ZINC000033040623 553893896 /nfs/dbraw/zinc/89/38/96/553893896.db2.gz TUNZHZLXUXJZPS-GDLZYMKVSA-N 0 0 510.707 6.341 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CCCC4)cc1 ZINC000033040612 553894014 /nfs/dbraw/zinc/89/40/14/553894014.db2.gz WQSUXGUMDGQOLP-MHZLTWQESA-N 0 0 518.633 6.899 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(C)cc(C)c1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051209 553895938 /nfs/dbraw/zinc/89/59/38/553895938.db2.gz FXZMNPAGOGJRDK-WJOKGBTCSA-N 0 0 530.676 6.791 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(C)c(C)c1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051199 553896004 /nfs/dbraw/zinc/89/60/04/553896004.db2.gz UDMYHJLPJCEECK-HKBQPEDESA-N 0 0 530.676 6.791 50 10 KKCARN Cc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097964344 553897453 /nfs/dbraw/zinc/89/74/53/553897453.db2.gz INJUNGSWUDQFTG-FJFKHDKWSA-N 0 0 565.724 6.929 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000097964913 553901562 /nfs/dbraw/zinc/90/15/62/553901562.db2.gz YHHCYWXQORPYGU-NYTAGIQFSA-N 0 0 522.403 5.663 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4cccc5ccccc54)c4ccccc34)C2=N)S1 ZINC000097964921 553901918 /nfs/dbraw/zinc/90/19/18/553901918.db2.gz RHKUEVDLZKZDEF-ZQKSHWMASA-N 0 0 555.663 6.849 50 10 KKCARN COc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1 ZINC000097964934 553901940 /nfs/dbraw/zinc/90/19/40/553901940.db2.gz ZUSFCRQJSHCKMR-NNJIMWGHSA-N 0 0 579.682 6.126 50 10 KKCARN Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1C ZINC000097964929 553901960 /nfs/dbraw/zinc/90/19/60/553901960.db2.gz RZAJKFUUJQMTJL-WXZOIDFBSA-N 0 0 577.710 6.734 50 10 KKCARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1N=C2/C(=C/c3ccc(N4CCOCC4)cc3)CCC[C@@H]2[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000097965214 553903602 /nfs/dbraw/zinc/90/36/02/553903602.db2.gz IXAHVMZDTXTIBD-UOEBQVPPSA-N 0 0 689.860 8.012 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097966212 553907554 /nfs/dbraw/zinc/90/75/54/553907554.db2.gz OREWKJOXQFDOCF-MWXWASHKSA-N 0 0 532.666 6.230 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000097966236 553907633 /nfs/dbraw/zinc/90/76/33/553907633.db2.gz OSMFZLUGTBUAAI-UPGXFCGVSA-N 0 0 575.090 6.481 50 10 KKCARN CCCCCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCCCCC)C2=O)SC1=S ZINC000097966324 553908091 /nfs/dbraw/zinc/90/80/91/553908091.db2.gz XMPPONQVLKXFGX-WCWDXBQESA-N 0 0 630.920 6.506 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000097966291 553908133 /nfs/dbraw/zinc/90/81/33/553908133.db2.gz FAJOHXNBFSHIDI-ZJTZAHLKSA-N 0 0 609.579 5.579 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Cl)cc1 ZINC000097966473 553909056 /nfs/dbraw/zinc/90/90/56/553909056.db2.gz HPHMWBOWHWKQEY-DEDYPNTBSA-N 0 0 572.060 6.511 50 10 KKCARN COc1ccc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097966795 553910303 /nfs/dbraw/zinc/91/03/03/553910303.db2.gz WDMMSDIQTOZBAZ-UQQQWYQISA-N 0 0 533.650 5.590 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000097967619 553921011 /nfs/dbraw/zinc/92/10/11/553921011.db2.gz OHKONQYJTRVYPU-HYARGMPZSA-N 0 0 552.405 7.065 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(C)C ZINC000033334657 553921611 /nfs/dbraw/zinc/92/16/11/553921611.db2.gz JVLCHPPGPJSUTD-XQNSMLJCSA-N 0 0 523.680 5.324 50 10 KKCARN Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000033349109 553922155 /nfs/dbraw/zinc/92/21/55/553922155.db2.gz KSNHDDVGWKLKRE-ZTULNLNQSA-N 0 0 501.921 5.833 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000033353790 553927123 /nfs/dbraw/zinc/92/71/23/553927123.db2.gz TULAMDGTLYUNJZ-URDSPAQOSA-N 0 0 577.888 5.988 50 10 KKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000033353944 553927515 /nfs/dbraw/zinc/92/75/15/553927515.db2.gz ZPQFOVKFIIZXSC-USHMODERSA-N 0 0 548.712 7.401 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000033354223 553929028 /nfs/dbraw/zinc/92/90/28/553929028.db2.gz LVFZSFRDTYGRDW-FLANLAGZSA-N 0 0 531.407 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)c2c(Nc3ccccc3Br)ccc(Nc3ccccc3Br)c21 ZINC000033354396 553929465 /nfs/dbraw/zinc/92/94/65/553929465.db2.gz DPGXMOFKIQMXOL-UHFFFAOYSA-N 0 0 548.234 7.474 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(Br)cc4)nc4c(C)cccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097968903 553934890 /nfs/dbraw/zinc/93/48/90/553934890.db2.gz PYFTXECUTMZLTR-KQWNVCNZSA-N 0 0 660.575 5.761 50 10 KKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCCCCC3)c3ccccc3F)c2)c1C ZINC000033357300 553947753 /nfs/dbraw/zinc/94/77/53/553947753.db2.gz KGHVJVOJHOJLPJ-RWYGWLOXSA-N 0 0 699.867 9.381 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C4CCCCC4)cc3)c(OC)c2)SC1=S ZINC000033358650 553957292 /nfs/dbraw/zinc/95/72/92/553957292.db2.gz SRGBPPUSPCJXBX-ULJHMMPZSA-N 0 0 623.578 7.026 50 10 KKCARN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C/c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000097970786 553958587 /nfs/dbraw/zinc/95/85/87/553958587.db2.gz CKBASZHQXNYKCX-HTVIMDAJSA-N 0 0 560.767 5.923 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000033607905 553964419 /nfs/dbraw/zinc/96/44/19/553964419.db2.gz VQKQKOYWKROUCM-IAWHSNBSSA-N 0 0 507.644 6.200 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000033734658 553970975 /nfs/dbraw/zinc/97/09/75/553970975.db2.gz XMGZSZYATWHIPI-KVXUKMJYSA-N 0 0 519.586 5.280 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000033745876 553971939 /nfs/dbraw/zinc/97/19/39/553971939.db2.gz ZCKFEJWOPYHWTN-NLRVBDNBSA-N 0 0 511.672 6.300 50 10 KKCARN COc1cc(C=C2SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc(OC)c1OC ZINC000012558493 561711234 /nfs/dbraw/zinc/71/12/34/561711234.db2.gz VIMOVYKCVLCLBD-NSIKDUERSA-N 0 0 505.927 5.008 50 10 KKCARN COc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000097979210 553977286 /nfs/dbraw/zinc/97/72/86/553977286.db2.gz UPIYBKFBSVAOAY-BHGWPJFGSA-N 0 0 667.083 6.343 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COc2cccc4ccccc42)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979970 553983867 /nfs/dbraw/zinc/98/38/67/553983867.db2.gz MLSCMJTXUQHZHN-OQJSOXSUSA-N 0 0 558.726 7.174 50 10 KKCARN CCN(Cc1ccccc1)c1ccc(C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000097981418 553993783 /nfs/dbraw/zinc/99/37/83/553993783.db2.gz FTFFTTFUKGAPOH-UHFFFAOYSA-N 0 0 572.536 7.036 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCC(Cc6ccccc6)CC5)c(C)c43)CC2)cc1 ZINC000097985372 554023131 /nfs/dbraw/zinc/02/31/31/554023131.db2.gz IHTFQUKDVIAYAI-UHFFFAOYSA-N 0 0 541.721 5.430 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)Cc2ccccc2)cc1 ZINC000097985375 554023163 /nfs/dbraw/zinc/02/31/63/554023163.db2.gz LFZFNIMAHKBNAQ-SSEXGKCCSA-N 0 0 561.085 6.835 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)cc(C)c3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000097999403 554042573 /nfs/dbraw/zinc/04/25/73/554042573.db2.gz LYUZQYCJTHKXTG-UHFFFAOYSA-N 0 0 553.727 5.747 50 10 KKCARN Cc1nc2sc(C(=O)OCCN(C)C(=O)c3sc4nc(C)c(Cl)c(C)c4c3N)c(N)c2c(C)c1Cl ZINC000098008437 554067571 /nfs/dbraw/zinc/06/75/71/554067571.db2.gz JHSIVSNKBCVOSE-UHFFFAOYSA-N 0 0 552.509 5.540 50 10 KKCARN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1 ZINC000035829109 554079313 /nfs/dbraw/zinc/07/93/13/554079313.db2.gz YEKMSGQJABKREP-UHFFFAOYSA-N 0 0 518.976 6.116 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3c(cccc3OC(C)=O)C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000035843310 554082158 /nfs/dbraw/zinc/08/21/58/554082158.db2.gz KKYUTANGNDARIO-JCYYIGJDSA-N 0 0 521.569 5.033 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035848146 554083650 /nfs/dbraw/zinc/08/36/50/554083650.db2.gz FWZVKFWTTDXTHQ-ZONZVBGPSA-N 0 0 509.577 5.883 50 10 KKCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000098046987 554145660 /nfs/dbraw/zinc/14/56/60/554145660.db2.gz QJGRUQDHNDPGKC-OAHLLOKOSA-N 0 0 540.702 6.606 50 10 KKCARN CN(C)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)cc1 ZINC000100004782 554177751 /nfs/dbraw/zinc/17/77/51/554177751.db2.gz BBWPYGXFMARNAZ-KQWNVCNZSA-N 0 0 529.463 6.473 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)cc1OC ZINC000100004946 554177781 /nfs/dbraw/zinc/17/77/81/554177781.db2.gz UUVKQMQEXZUQML-KGENOOAVSA-N 0 0 546.446 6.424 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000100040837 554192165 /nfs/dbraw/zinc/19/21/65/554192165.db2.gz REIVJOKIIWKOLH-YAGSLNJISA-N 0 0 546.675 6.666 50 10 KKCARN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=[NH+]c1cccc(=NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)[nH]1 ZINC000100040953 554192190 /nfs/dbraw/zinc/19/21/90/554192190.db2.gz NQIUUQWGFXDBRS-MUPYBJATSA-N 0 0 505.582 5.135 50 10 KKCARN CC1=Cc2cc(Nc3ccc4c(c3)C=C(C)C(=NNc3ccccc3)C4=O)ccc2C(=O)C1=NNc1ccccc1 ZINC000100048584 554194035 /nfs/dbraw/zinc/19/40/35/554194035.db2.gz NTMFDBLRFZGNAC-NFSGFYSESA-N 0 0 537.623 10.595 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100068074 554200314 /nfs/dbraw/zinc/20/03/14/554200314.db2.gz UTWDLBZFLWJCTH-KMBIYUNPSA-N 0 0 566.510 5.513 50 10 KKCARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)C3=C2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000100083766 554207846 /nfs/dbraw/zinc/20/78/46/554207846.db2.gz BXJFFIDPKXVBOZ-CZLAYTOTSA-N 0 0 563.451 6.930 50 10 KKCARN CC(C)N1C(=O)C(=CNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N(CCc2ccccc2)C1=O ZINC000100086156 554209050 /nfs/dbraw/zinc/20/90/50/554209050.db2.gz OYKGKYFKUYXLII-MOHJPFBDSA-N 0 0 515.997 5.309 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)SC1=S ZINC000100092460 554212676 /nfs/dbraw/zinc/21/26/76/554212676.db2.gz CDLYUXVWHJZPSL-WANMDRJWSA-N 0 0 545.733 8.005 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100095338 554215781 /nfs/dbraw/zinc/21/57/81/554215781.db2.gz LICBSFIRLFZRKJ-HBMCJLEFSA-N 0 0 560.311 5.707 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)c3sc4ccccc4c3Cl)C(C)(C)C2=S)S1 ZINC000100115888 554223534 /nfs/dbraw/zinc/22/35/34/554223534.db2.gz FZWVROPFAHSIRW-UHFFFAOYSA-N 0 0 616.207 7.378 50 10 KKCARN CCCC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OCC)=C(C(=O)OCC)S2)C(=S)C1(C)C ZINC000100118203 554224141 /nfs/dbraw/zinc/22/41/41/554224141.db2.gz XMSBIXJEEJTLOH-UHFFFAOYSA-N 0 0 535.709 5.477 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000100148336 554231035 /nfs/dbraw/zinc/23/10/35/554231035.db2.gz QAAVTEKVRMOABW-QRVIBDJDSA-N 0 0 521.835 7.365 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)C(C)C ZINC000037423722 554243729 /nfs/dbraw/zinc/24/37/29/554243729.db2.gz LWFLIGNUZHODEX-FQEVSTJZSA-N 0 0 517.692 5.042 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423987 554243940 /nfs/dbraw/zinc/24/39/40/554243940.db2.gz MZKOJYQPWGEIKU-UHFFFAOYSA-N 0 0 502.677 5.094 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)(C)C)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423992 554243965 /nfs/dbraw/zinc/24/39/65/554243965.db2.gz XRHSZCAVZSYWKM-UHFFFAOYSA-N 0 0 504.693 5.482 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c(Br)c1 ZINC000100192269 554245072 /nfs/dbraw/zinc/24/50/72/554245072.db2.gz FMSKOPAOBASMFS-LTGZKZEYSA-N 0 0 527.374 7.397 50 10 KKCARN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1 ZINC000100192238 554245101 /nfs/dbraw/zinc/24/51/01/554245101.db2.gz RJSVTPUXHYRENI-LTGZKZEYSA-N 0 0 527.374 7.397 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)sc2c1CCCC2 ZINC000100208884 554248700 /nfs/dbraw/zinc/24/87/00/554248700.db2.gz JAZQMIADHIRDPM-PGMHBOJBSA-N 0 0 542.748 5.986 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000100224500 554252418 /nfs/dbraw/zinc/25/24/18/554252418.db2.gz WLNWQOREVCMSOX-PXLXIMEGSA-N 0 0 587.460 6.315 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000100225572 554252967 /nfs/dbraw/zinc/25/29/67/554252967.db2.gz HZUCEVYMERYEFQ-MOSHPQCFSA-N 0 0 568.855 6.325 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c(Br)c(Br)c1OCC ZINC000100229949 554255322 /nfs/dbraw/zinc/25/53/22/554255322.db2.gz DUDRYRDLTVGQMT-ZSOIEALJSA-N 0 0 577.100 7.122 50 10 KKCARN CCOc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000100246764 554261372 /nfs/dbraw/zinc/26/13/72/554261372.db2.gz GAICDTBHXVFPGO-UQQQWYQISA-N 0 0 535.094 7.229 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260394 554265501 /nfs/dbraw/zinc/26/55/01/554265501.db2.gz HGEHUGCTWMRXFL-UUYOSTAYSA-N 0 0 532.431 6.708 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000100266688 554267218 /nfs/dbraw/zinc/26/72/18/554267218.db2.gz UGUFOEUWDPDKPJ-WFJZUQIDSA-N 0 0 571.873 6.902 50 10 KKCARN N=C1/C(=C\c2cccc(OCCOc3ccc(Br)cc3)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000100266632 554267221 /nfs/dbraw/zinc/26/72/21/554267221.db2.gz YEKPRDQQPSTHKY-SFRTUGDPSA-N 0 0 581.879 6.228 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000100267505 554267633 /nfs/dbraw/zinc/26/76/33/554267633.db2.gz NBFIDADGPNQEPE-VVFBJTNSSA-N 0 0 539.657 6.464 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000100270896 554269699 /nfs/dbraw/zinc/26/96/99/554269699.db2.gz SWQCENWRANLNCT-FYJGNVAPSA-N 0 0 542.469 6.457 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000100272867 554270696 /nfs/dbraw/zinc/27/06/96/554270696.db2.gz DJMFHTPCIIBBEV-HEVMCXDHSA-N 0 0 541.629 5.856 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(Cl)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038203860 554274193 /nfs/dbraw/zinc/27/41/93/554274193.db2.gz SZZREXPBJCUKKT-QKUDYJAESA-N 0 0 513.085 6.909 50 10 KKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000038206803 554274358 /nfs/dbraw/zinc/27/43/58/554274358.db2.gz RCNYSRDMHIKJPV-XIEYBQDHSA-N 0 0 505.709 7.028 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000041076335 554291987 /nfs/dbraw/zinc/29/19/87/554291987.db2.gz JENPIMDYEMBZID-NIZMMVCKSA-N 0 0 500.455 6.600 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC ZINC000100327856 554310949 /nfs/dbraw/zinc/31/09/49/554310949.db2.gz GZYKCZUWTHKYKI-XDHOZWIPSA-N 0 0 539.460 6.111 50 10 KKCARN CCN(CC)c1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)OC)cc1 ZINC000049597333 554323641 /nfs/dbraw/zinc/32/36/41/554323641.db2.gz JEWBHOYZNPPTKZ-SVBPBHIXSA-N 0 0 508.460 5.984 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000100339841 554324586 /nfs/dbraw/zinc/32/45/86/554324586.db2.gz YPLPAYLXUKKNBT-SSDVNMTOSA-N 0 0 611.366 7.758 50 10 KKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000100342008 554326758 /nfs/dbraw/zinc/32/67/58/554326758.db2.gz NJZNBALJWDYAQF-RPPGKUMJSA-N 0 0 593.935 8.448 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000050704825 554327619 /nfs/dbraw/zinc/32/76/19/554327619.db2.gz CMVLPLGBGAMWKP-ULJHMMPZSA-N 0 0 529.712 6.569 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000100342713 554327755 /nfs/dbraw/zinc/32/77/55/554327755.db2.gz OCWGTAQHOICNJM-WGOQTCKBSA-N 0 0 532.687 6.434 50 10 KKCARN Cc1cc(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000051103466 554329185 /nfs/dbraw/zinc/32/91/85/554329185.db2.gz GICGVJWEBMBMEO-UHFFFAOYSA-N 0 0 537.582 7.625 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N21 ZINC000053289978 554330912 /nfs/dbraw/zinc/33/09/12/554330912.db2.gz MIUULNHRMXJTIG-IARZGTGTSA-N 0 0 561.435 6.160 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363705 554346154 /nfs/dbraw/zinc/34/61/54/554346154.db2.gz CKTNIYULMHWDFR-IRLDBZIGSA-N 0 0 565.103 6.902 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363889 554346190 /nfs/dbraw/zinc/34/61/90/554346190.db2.gz UGLRRYUSDNLOKW-RBBKRZOGSA-N 0 0 555.097 7.447 50 10 KKCARN Cc1ccc([C@@H]2N=C(c3ccc(Br)cc3)C[C@H](c3cc(Br)ccc3O)N2)c(C)c1 ZINC000053363897 554346212 /nfs/dbraw/zinc/34/62/12/554346212.db2.gz PYBNMMFBBJIFTL-ISKFKSNPSA-N 0 0 514.261 6.757 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363985 554346448 /nfs/dbraw/zinc/34/64/48/554346448.db2.gz MWKAKCXMWGSUEV-BKMJKUGQSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364042 554346451 /nfs/dbraw/zinc/34/64/51/554346451.db2.gz IYMCCEXUQWAEQF-KCWPFWIISA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364285 554346677 /nfs/dbraw/zinc/34/66/77/554346677.db2.gz HZHMFJMWJFHTNW-SQJMNOBHSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364286 554346700 /nfs/dbraw/zinc/34/67/00/554346700.db2.gz HZHMFJMWJFHTNW-BWKNWUBXSA-N 0 0 560.286 6.547 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364343 554346978 /nfs/dbraw/zinc/34/69/78/554346978.db2.gz QJKBWCLVOQPNDN-VWNXMTODSA-N 0 0 504.255 7.246 50 10 KKCARN COc1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364296 554347031 /nfs/dbraw/zinc/34/70/31/554347031.db2.gz PHKPRMVOAOGSBX-YADARESESA-N 0 0 560.242 5.877 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364370 554347037 /nfs/dbraw/zinc/34/70/37/554347037.db2.gz QDXLKNSAXGIUBW-VWNXMTODSA-N 0 0 548.250 6.678 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000053364551 554347255 /nfs/dbraw/zinc/34/72/55/554347255.db2.gz CQOTUWAYKFLCED-IRLDBZIGSA-N 0 0 538.642 6.932 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000053364554 554347330 /nfs/dbraw/zinc/34/73/30/554347330.db2.gz CQOTUWAYKFLCED-UNMCSNQZSA-N 0 0 538.642 6.932 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000053364522 554347362 /nfs/dbraw/zinc/34/73/62/554347362.db2.gz ILURMRDPEDIQAK-UNMCSNQZSA-N 0 0 583.093 7.041 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000100392434 554367412 /nfs/dbraw/zinc/36/74/12/554367412.db2.gz SPRCRZJIAGNNNN-KOEQRZSOSA-N 0 0 547.679 6.018 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000100414443 554378896 /nfs/dbraw/zinc/37/88/96/554378896.db2.gz LEAFKDDUVRBFCD-QKDODKLFSA-N 0 0 578.418 5.811 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100414562 554379308 /nfs/dbraw/zinc/37/93/08/554379308.db2.gz LVDRHBHYPYSKBQ-ZVDOUQERSA-N 0 0 571.210 5.451 50 10 KKCARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000059503906 554400308 /nfs/dbraw/zinc/40/03/08/554400308.db2.gz DVPRWLYYKMFYMT-ACHIHNKUSA-N 0 0 553.703 5.666 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000059503899 554400324 /nfs/dbraw/zinc/40/03/24/554400324.db2.gz DVPRWLYYKMFYMT-ROJLCIKYSA-N 0 0 553.703 5.666 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000100524509 554409696 /nfs/dbraw/zinc/40/96/96/554409696.db2.gz WFZVTNRLFBUDQW-BHIFYINESA-N 0 0 550.792 5.106 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100526033 554409842 /nfs/dbraw/zinc/40/98/42/554409842.db2.gz XFGRLOAKGNAFFG-YVBHXKDBSA-N 0 0 622.574 5.750 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccccc1I ZINC000100545453 554413774 /nfs/dbraw/zinc/41/37/74/554413774.db2.gz WDPJEOMJLLGSDW-NDENLUEZSA-N 0 0 577.852 6.570 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000100553101 554415394 /nfs/dbraw/zinc/41/53/94/554415394.db2.gz VDEPOTTVTHEUEV-NJYVYQBISA-N 0 0 571.210 5.451 50 10 KKCARN COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@@H]32)c1OC ZINC000059646017 554416845 /nfs/dbraw/zinc/41/68/45/554416845.db2.gz LQQIXQDMWOHGAZ-ZYLNGJIFSA-N 0 0 530.568 6.350 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2[C@@H]2C=CC[C@@H]21 ZINC000059646020 554417174 /nfs/dbraw/zinc/41/71/74/554417174.db2.gz OJWQFJGKDAEJQT-YZIHRLCOSA-N 0 0 525.468 6.393 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000100566356 554419723 /nfs/dbraw/zinc/41/97/23/554419723.db2.gz OYKYSAAIMSTNBD-LGUFXXKBSA-N 0 0 536.470 6.104 50 10 KKCARN Cc1c(Cl)cccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100582329 554425467 /nfs/dbraw/zinc/42/54/67/554425467.db2.gz FJJFMPFEPYQPEJ-FSSWDIPSSA-N 0 0 550.792 5.106 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000100618912 554434135 /nfs/dbraw/zinc/43/41/35/554434135.db2.gz LWCUHIOBJSVVRY-DVVXKZABSA-N 0 0 589.717 5.163 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100642132 554435995 /nfs/dbraw/zinc/43/59/95/554435995.db2.gz SXHFQXSZWJKYQF-AMBHUUBPSA-N 0 0 585.524 6.458 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000100642164 554436327 /nfs/dbraw/zinc/43/63/27/554436327.db2.gz DWKMUPKQQHEYKY-ABTBVNDJSA-N 0 0 563.861 5.598 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100653837 554437295 /nfs/dbraw/zinc/43/72/95/554437295.db2.gz PEZWVMCVWGBDRF-URDSPAQOSA-N 0 0 557.470 5.499 50 10 KKCARN O=C1C(=CNCCc2ccccn2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000100652157 554437394 /nfs/dbraw/zinc/43/73/94/554437394.db2.gz BQSUTSYOGYULIM-HMMYKYKNSA-N 0 0 506.056 5.556 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(Cl)cc4)c(OCC)c3)C2=N)S1 ZINC000100656640 554437900 /nfs/dbraw/zinc/43/79/00/554437900.db2.gz LVWLHPQESBOADL-NVOZUQLISA-N 0 0 529.087 6.329 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(Oc6ccccc6)cc5)c(C)c43)CC2)cc1 ZINC000100664725 554439647 /nfs/dbraw/zinc/43/96/47/554439647.db2.gz LPJSMAVNGHLZAO-UHFFFAOYSA-N 0 0 551.672 6.380 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000100672941 554442039 /nfs/dbraw/zinc/44/20/39/554442039.db2.gz QIIVDHFYGNWFNN-WNUQXASFSA-N 0 0 542.686 6.151 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1OC ZINC000100710573 554453543 /nfs/dbraw/zinc/45/35/43/554453543.db2.gz IVKPAPHZDRUFHD-BJJDSNIUSA-N 0 0 542.617 5.137 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000100710590 554453629 /nfs/dbraw/zinc/45/36/29/554453629.db2.gz YLYUYYNFODKZBJ-RRABYFSWSA-N 0 0 543.045 5.624 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000100711614 554453853 /nfs/dbraw/zinc/45/38/53/554453853.db2.gz KCDYSTNRWADSCY-HVSOUWTQSA-N 0 0 533.437 5.735 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(Cl)c(C)c4)c(OC)c3)C2=N)S1 ZINC000100711604 554453920 /nfs/dbraw/zinc/45/39/20/554453920.db2.gz WMAKPAXXNNNMEN-IDQZTLFTSA-N 0 0 533.437 5.797 50 10 KKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)cc3)C2=N)S1 ZINC000100711513 554453922 /nfs/dbraw/zinc/45/39/22/554453922.db2.gz ALVJPXMBKIJTEM-NKFJNAIASA-N 0 0 527.444 5.572 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000100711652 554454146 /nfs/dbraw/zinc/45/41/46/554454146.db2.gz ORXYFLGSJQWFCX-IQZWZXOTSA-N 0 0 541.073 6.089 50 10 KKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000100727473 554457842 /nfs/dbraw/zinc/45/78/42/554457842.db2.gz QMCKHKLFKLWQPV-NFBKMPQASA-N 0 0 520.210 6.712 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000100737255 554461471 /nfs/dbraw/zinc/46/14/71/554461471.db2.gz RMRRILIUFONPHJ-JVUNUGAUSA-N 0 0 536.963 5.850 50 10 KKCARN N=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100756511 554466968 /nfs/dbraw/zinc/46/69/68/554466968.db2.gz JZMCKWYPLHUMOV-NFIDDJMPSA-N 0 0 525.033 6.678 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(I)cc1 ZINC000100757271 554467022 /nfs/dbraw/zinc/46/70/22/554467022.db2.gz PBYMBODSOYSQRP-WJDWOHSUSA-N 0 0 528.824 5.175 50 10 KKCARN N=C1/C(=C/c2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100778287 554472204 /nfs/dbraw/zinc/47/22/04/554472204.db2.gz BVZDEVORLXKLCE-HAYNQCBSSA-N 0 0 536.440 6.755 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000100781405 554472512 /nfs/dbraw/zinc/47/25/12/554472512.db2.gz MPSVKYZVJUWVDU-MOSHPQCFSA-N 0 0 548.542 6.661 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000100792265 554473327 /nfs/dbraw/zinc/47/33/27/554473327.db2.gz YSNHRVAHJGVHOX-JJXZISMASA-N 0 0 539.657 6.546 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000100793442 554473595 /nfs/dbraw/zinc/47/35/95/554473595.db2.gz BMGJUPVZCDXAJH-LDXXCKMXSA-N 0 0 529.018 5.234 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100815641 554476134 /nfs/dbraw/zinc/47/61/34/554476134.db2.gz GRGVKXNAPPDHLT-QQTULTPQSA-N 0 0 546.762 5.853 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(C)c1 ZINC000100832915 554482831 /nfs/dbraw/zinc/48/28/31/554482831.db2.gz ZDBYCAWYACBXGE-FXLXZQHNSA-N 0 0 548.927 7.440 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000100836965 554484017 /nfs/dbraw/zinc/48/40/17/554484017.db2.gz DGFMAPLWFDHFHQ-HNHDZATFSA-N 0 0 575.678 6.479 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 ZINC000100837419 554484333 /nfs/dbraw/zinc/48/43/33/554484333.db2.gz IZTIQURTMOVTGS-VQNDASPWSA-N 0 0 598.772 8.461 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000100837979 554484953 /nfs/dbraw/zinc/48/49/53/554484953.db2.gz YFFRHYZWXYNWEI-CGBWALKFSA-N 0 0 588.154 7.152 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837986 554484969 /nfs/dbraw/zinc/48/49/69/554484969.db2.gz LNLAPUSNXFSKAP-ONUIUJJFSA-N 0 0 562.116 6.619 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000100838491 554485957 /nfs/dbraw/zinc/48/59/57/554485957.db2.gz FUFLZMHQKMQZPN-GJVLPJBHSA-N 0 0 622.193 6.160 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000100838490 554485972 /nfs/dbraw/zinc/48/59/72/554485972.db2.gz FUFLZMHQKMQZPN-YMCFUUGVSA-N 0 0 622.193 6.160 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000100838480 554485990 /nfs/dbraw/zinc/48/59/90/554485990.db2.gz YDSIVTMUHYKRSJ-IMRQLAEWSA-N 0 0 559.688 6.495 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1C1CCCCC1 ZINC000100838928 554486741 /nfs/dbraw/zinc/48/67/41/554486741.db2.gz RUHRCMBICMHAFH-BRPDVVIDSA-N 0 0 551.737 7.652 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000100839710 554487656 /nfs/dbraw/zinc/48/76/56/554487656.db2.gz GNYJTFOVYLHJMI-DIBXZPPDSA-N 0 0 543.714 7.493 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)c(C)c1 ZINC000100840487 554489202 /nfs/dbraw/zinc/48/92/02/554489202.db2.gz SXTNUCUVCPYXDK-NVMPUMLXSA-N 0 0 584.745 8.133 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc(OC)c1OC ZINC000100842633 554490034 /nfs/dbraw/zinc/49/00/34/554490034.db2.gz NOWZSTHMDLXHHD-BKUYFWCQSA-N 0 0 623.700 6.009 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(CCCOC)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871255 554498327 /nfs/dbraw/zinc/49/83/27/554498327.db2.gz YPKZMIANZSHRSA-XQNSMLJCSA-N 0 0 524.624 5.084 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S ZINC000100871108 554498334 /nfs/dbraw/zinc/49/83/34/554498334.db2.gz XYNRDBFKKOGPSX-ONUIUJJFSA-N 0 0 535.735 6.510 50 10 KKCARN Cc1c(OCC(C)C)cccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000100871114 554498350 /nfs/dbraw/zinc/49/83/50/554498350.db2.gz CUKNNEFRXVKUAQ-VNAAUWNKSA-N 0 0 533.719 6.263 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1C ZINC000100871491 554499293 /nfs/dbraw/zinc/49/92/93/554499293.db2.gz JOJDLINJXMCXQM-XHPQRKPJSA-N 0 0 535.735 6.654 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1Cl ZINC000100871751 554499974 /nfs/dbraw/zinc/49/99/74/554499974.db2.gz URXQERYXSOVXDI-NAHYFOQLSA-N 0 0 532.090 7.164 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000100871838 554499976 /nfs/dbraw/zinc/49/99/76/554499976.db2.gz GBQFUXKNDRBCLK-OIADIFTFSA-N 0 0 539.726 7.537 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(Cl)cc4)C3=O)SC2=S)cc1 ZINC000100872005 554500228 /nfs/dbraw/zinc/50/02/28/554500228.db2.gz KEGZLKDLJZJFOY-VHXPQNKSSA-N 0 0 534.062 5.405 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 ZINC000100872620 554501393 /nfs/dbraw/zinc/50/13/93/554501393.db2.gz LULQMXVSZJQZTR-ATGXDJACSA-N 0 0 539.726 7.599 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)SC1=S ZINC000100872855 554501724 /nfs/dbraw/zinc/50/17/24/554501724.db2.gz OYRUIIUYOLCKRT-DDJBQFQUSA-N 0 0 535.735 5.180 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100872951 554501903 /nfs/dbraw/zinc/50/19/03/554501903.db2.gz XBARWIPNNBEBGX-PGIRIEJUSA-N 0 0 534.062 5.658 50 10 KKCARN CC(C)Nc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000063490356 554509616 /nfs/dbraw/zinc/50/96/16/554509616.db2.gz VWRNYIKDFVSKEH-UHFFFAOYSA-N 0 0 517.029 5.714 50 10 KKCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc4sc(C)c(-c5ccc(C)cc5)c4c(=O)n3-c3ccccc3)c2C)cc1 ZINC000100888986 554510285 /nfs/dbraw/zinc/51/02/85/554510285.db2.gz SPVDAZOLKVSITL-UHFFFAOYSA-N 0 0 619.812 8.512 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1 ZINC000063732056 554510415 /nfs/dbraw/zinc/51/04/15/554510415.db2.gz ALZJEZFFBVWKGI-IFMALSPDSA-N 0 0 504.197 6.279 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000100912771 554518185 /nfs/dbraw/zinc/51/81/85/554518185.db2.gz PKPOWZBTJCUBDO-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000100912774 554518207 /nfs/dbraw/zinc/51/82/07/554518207.db2.gz PKPOWZBTJCUBDO-RWSKJCERSA-N 0 0 541.603 6.020 50 10 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ZINC000103751430 555467585 /nfs/dbraw/zinc/46/75/85/555467585.db2.gz POOMNLUFJBSQJO-VINXDOLDSA-N 0 0 554.075 6.658 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000103751547 555467854 /nfs/dbraw/zinc/46/78/54/555467854.db2.gz CHVUQMZLFBWYRI-XAFGFXLGSA-N 0 0 544.467 6.972 50 10 KKCARN O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000103778106 555476090 /nfs/dbraw/zinc/47/60/90/555476090.db2.gz LBWPRLVAFPMZMI-AQHIEDMUSA-N 0 0 547.891 8.195 50 10 KKCARN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000103810433 555482020 /nfs/dbraw/zinc/48/20/20/555482020.db2.gz UOAIOUZVBFAKOO-AUWJEWJLSA-N 0 0 533.047 6.723 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(OC)ccc3N(C(=O)COc3ccccc3)C(C)(C)C2=S)S1 ZINC000103808982 555482043 /nfs/dbraw/zinc/48/20/43/555482043.db2.gz XDCJITSAGOCLNO-GKPLWNPISA-N 0 0 603.787 7.350 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000103896074 571368807 /nfs/dbraw/zinc/36/88/07/571368807.db2.gz OFPKLLRHMMARFW-CMILQILXSA-N 0 0 547.507 7.786 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cc(Br)ccc3O)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000104009201 571371133 /nfs/dbraw/zinc/37/11/33/571371133.db2.gz MNIUKVOKVGMRGA-OYKXOOMRSA-N 0 0 607.460 5.968 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000104014022 571371206 /nfs/dbraw/zinc/37/12/06/571371206.db2.gz ZSKQRGYTTDJTRU-LYVYPOQBSA-N 0 0 572.617 5.518 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000104020253 571371357 /nfs/dbraw/zinc/37/13/57/571371357.db2.gz KORUMJJIFWDHGT-TWLDFKIOSA-N 0 0 557.562 5.409 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000104194288 571376606 /nfs/dbraw/zinc/37/66/06/571376606.db2.gz MKDQLMQBJHEJFY-RYKXDIJISA-N 0 0 540.534 6.726 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000104849166 571386872 /nfs/dbraw/zinc/38/68/72/571386872.db2.gz ZWRVKQAUMRFKSU-UCIQFCIPSA-N 0 0 591.737 5.523 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 ZINC000105318021 571400560 /nfs/dbraw/zinc/40/05/60/571400560.db2.gz NYTVPOVKLSLXOR-VVXUNVFKSA-N 0 0 518.708 5.448 50 10 KKCARN COC(=O)c1ccc(Oc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)c([N+](=O)[O-])c1 ZINC000105965377 571409617 /nfs/dbraw/zinc/40/96/17/571409617.db2.gz PWSYOUDFUOBGIF-LPYMAVHISA-N 0 0 522.560 5.588 50 10 KKCARN CCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000105979220 571409704 /nfs/dbraw/zinc/40/97/04/571409704.db2.gz AUHIKINAYDNZBC-UYRXBGFRSA-N 0 0 555.459 5.893 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000106019161 571410732 /nfs/dbraw/zinc/41/07/32/571410732.db2.gz MSOISGVNYRETKW-GSBZAIBZSA-N 0 0 618.483 6.691 50 10 KKCARN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Sc3nc4ccccc4s3)c2)cc1 ZINC000107274750 571420034 /nfs/dbraw/zinc/42/00/34/571420034.db2.gz CSLJPFGYIUDWCN-UHFFFAOYSA-N 0 0 581.766 6.666 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl ZINC000110561271 571431661 /nfs/dbraw/zinc/43/16/61/571431661.db2.gz AOSASZBVWFSRQW-ISJGIBHGSA-N 0 0 513.977 5.467 50 10 KKCARN Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 ZINC000117826063 571443349 /nfs/dbraw/zinc/44/33/49/571443349.db2.gz AUPIFOPXTAGGSW-UHFFFAOYSA-N 0 0 532.643 8.799 50 10 KKCARN CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(S(N)(=O)=O)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000135654673 571448734 /nfs/dbraw/zinc/44/87/34/571448734.db2.gz QSIMOMCPLQKVPK-UHFFFAOYSA-N 0 0 546.648 6.187 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000136964209 571449970 /nfs/dbraw/zinc/44/99/70/571449970.db2.gz KDEGHKYTYBEGAQ-XNTDXEJSSA-N 0 0 505.701 5.322 50 10 KKCARN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Br)o2)SC(=S)N1c1ccc(I)cc1 ZINC000150360538 571463725 /nfs/dbraw/zinc/46/37/25/571463725.db2.gz JRJFIUSFALNKCM-ZDLGFXPLSA-N 0 0 613.252 6.628 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000150363407 571464292 /nfs/dbraw/zinc/46/42/92/571464292.db2.gz BTMZVQUJHVMEDM-BMJUYKDLSA-N 0 0 679.698 5.109 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000150385795 571468984 /nfs/dbraw/zinc/46/89/84/571468984.db2.gz KJMWLLQIKKAYLU-ZMOGYAJESA-N 0 0 633.973 6.933 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000150388682 571470923 /nfs/dbraw/zinc/47/09/23/571470923.db2.gz KIOCXGYUWZHNDH-SRZZPIQSSA-N 0 0 625.791 7.858 50 10 KKCARN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)cc2)cc1C ZINC000150389162 571471571 /nfs/dbraw/zinc/47/15/71/571471571.db2.gz ZOMTVHSVVCEPIH-FOKLQQMPSA-N 0 0 666.844 7.905 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000150390316 571472617 /nfs/dbraw/zinc/47/26/17/571472617.db2.gz LRSAXTXCFKAZQR-LPYMAVHISA-N 0 0 623.921 6.947 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000150391203 571473539 /nfs/dbraw/zinc/47/35/39/571473539.db2.gz ZMZQRZGEVSWSRR-BHGWPJFGSA-N 0 0 696.870 7.914 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2cc(C)ccc2C)CCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000150398138 571477122 /nfs/dbraw/zinc/47/71/22/571477122.db2.gz RAVSYGKBXWZNAJ-UHFFFAOYSA-N 0 0 688.897 5.956 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000150398973 571477401 /nfs/dbraw/zinc/47/74/01/571477401.db2.gz LKDQMMWIAFCKFI-GMEAVFFOSA-N 0 0 687.652 10.004 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150401064 571478210 /nfs/dbraw/zinc/47/82/10/571478210.db2.gz DZJNKHGHERYKQT-OIUASMPBSA-N 0 0 666.627 6.149 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150406947 571480031 /nfs/dbraw/zinc/48/00/31/571480031.db2.gz PMEAPCLETUUPCY-LAUBZIAYSA-N 0 0 662.606 5.214 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150406952 571480063 /nfs/dbraw/zinc/48/00/63/571480063.db2.gz PMEAPCLETUUPCY-HDFSHUSISA-N 0 0 662.606 5.214 50 10 KKCARN O=C(NC(=S)Oc1ccc2c(c1OC(=S)NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000150408483 571480906 /nfs/dbraw/zinc/48/09/06/571480906.db2.gz WDUACHNWPCMQRD-UHFFFAOYSA-N 0 0 635.506 5.956 50 10 KKCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000150411813 571484040 /nfs/dbraw/zinc/48/40/40/571484040.db2.gz XZEFQLKNENNKPI-LPYMAVHISA-N 0 0 622.155 6.450 50 10 KKCARN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)SC1=S)Nc1ccccc1Br ZINC000150412174 571484297 /nfs/dbraw/zinc/48/42/97/571484297.db2.gz IMGQKSIKJLKJLW-QURGRASLSA-N 0 0 742.562 6.281 50 10 KKCARN CN1c2ccc(C(c3ccccc3)c3ccc4c(c3)-c3c(=S)ssc3C(C)(C)N4C)cc2-c2c(=S)ssc2C1(C)C ZINC000150425360 571489754 /nfs/dbraw/zinc/48/97/54/571489754.db2.gz QOIIDEJYWLWTLT-UHFFFAOYSA-N 0 0 647.019 11.276 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4cccc(Br)c4)C3=O)SC2=S)cc1OC ZINC000150432068 571493917 /nfs/dbraw/zinc/49/39/17/571493917.db2.gz IAUNHKKHIGQUKR-QPLCGJKRSA-N 0 0 638.565 5.266 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150434417 571494842 /nfs/dbraw/zinc/49/48/42/571494842.db2.gz SLXXJNBWQGPXAU-MHTHAWLDSA-N 0 0 668.613 5.926 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(C(C)C)c(OC)cc1C ZINC000150434392 571494912 /nfs/dbraw/zinc/49/49/12/571494912.db2.gz ZUCDRWYHDXCRED-LHOSBTIMSA-N 0 0 653.845 6.231 50 10 KKCARN COc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000150437408 571496632 /nfs/dbraw/zinc/49/66/32/571496632.db2.gz YCKJNUMQWOUNPT-VGOFMYFVSA-N 0 0 624.219 5.218 50 10 KKCARN COc1c(I)cc(I)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000150437399 571496646 /nfs/dbraw/zinc/49/66/46/571496646.db2.gz YCKJNUMQWOUNPT-AUWJEWJLSA-N 0 0 624.219 5.218 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000150455452 571504315 /nfs/dbraw/zinc/50/43/15/571504315.db2.gz DCDSXHJRTSCBHA-AMBHUUBPSA-N 0 0 632.524 6.300 50 10 KKCARN O=C(C(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(=O)C(=O)c5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1 ZINC000150460878 571506165 /nfs/dbraw/zinc/50/61/65/571506165.db2.gz RDVAPOTVQXURTL-UHFFFAOYSA-N 0 0 666.707 8.235 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(-c4ccccc4)cc3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000150471587 571509602 /nfs/dbraw/zinc/50/96/02/571509602.db2.gz NRQMUVNLDXEQMG-UHFFFAOYSA-N 0 0 650.147 9.169 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4sc(C)c(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)cc1 ZINC000150472375 571510048 /nfs/dbraw/zinc/51/00/48/571510048.db2.gz UIZZCIXIIWVUPC-UHFFFAOYSA-N 0 0 633.795 7.982 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC ZINC000150475072 571510701 /nfs/dbraw/zinc/51/07/01/571510701.db2.gz NXRIQRHONINHPK-FSJBWODESA-N 0 0 675.912 6.638 50 10 KKCARN CC(C)(C)c1ccc([C@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C(C)(C)C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000150480476 571512069 /nfs/dbraw/zinc/51/20/69/571512069.db2.gz HOXKLHYVVVYZIM-XPSQVAKYSA-N 0 0 671.837 9.510 50 10 KKCARN CC(C)(C)c1ccc([C@@H]2C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C(C)(C)C)cc3)N(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000150480466 571512090 /nfs/dbraw/zinc/51/20/90/571512090.db2.gz HOXKLHYVVVYZIM-AMAPPZPBSA-N 0 0 671.837 9.510 50 10 KKCARN O=C(CCC(=O)OCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 ZINC000150482388 571513151 /nfs/dbraw/zinc/51/31/51/571513151.db2.gz QXFRLKUPULFUPQ-DSTJOVHKSA-N 0 0 708.796 8.242 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C2=S)S1 ZINC000150490674 571517225 /nfs/dbraw/zinc/51/72/25/571517225.db2.gz BSEFYPFXFIDGKG-BFYITVNDSA-N 0 0 643.896 9.272 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150570593 571521407 /nfs/dbraw/zinc/52/14/07/571521407.db2.gz ZMHWDJXQGMBNEV-UCQKPKSFSA-N 0 0 644.697 6.857 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000150657629 571527184 /nfs/dbraw/zinc/52/71/84/571527184.db2.gz BKRVQIIHAFWDFT-OYUWMTPXSA-N 0 0 628.862 6.590 50 10 KKCARN COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150662698 571527785 /nfs/dbraw/zinc/52/77/85/571527785.db2.gz SMAXAURWBOZBCH-KCYKTTMJSA-N 0 0 633.719 9.842 50 10 KKCARN 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ZINC000000797200 551542939 /nfs/dbraw/zinc/54/29/39/551542939.db2.gz OKLOBSACDDNZGO-SETSBSEESA-N 0 0 529.504 5.334 50 10 KKCARN Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1Br ZINC000000822908 551544267 /nfs/dbraw/zinc/54/42/67/551544267.db2.gz YEFCHERERITXDI-UHFFFAOYSA-N 0 0 592.627 5.288 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1cccc(F)c1 ZINC000000830025 551546096 /nfs/dbraw/zinc/54/60/96/551546096.db2.gz OSBCEZWOCOXKIA-QCDSWUKFSA-N 0 0 536.942 6.218 50 10 KKCARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000843402 551547673 /nfs/dbraw/zinc/54/76/73/551547673.db2.gz AJIHXCAMFDXVLG-UHFFFAOYSA-N 0 0 522.586 5.751 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c(C)c1 ZINC000000979920 551591480 /nfs/dbraw/zinc/59/14/80/551591480.db2.gz HMULSVCUDHSHKA-YDZHTSKRSA-N 0 0 505.552 5.334 50 10 KKCARN Cc1ccc([C@@H]2C3(O[C@@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001013790 551596995 /nfs/dbraw/zinc/59/69/95/551596995.db2.gz VVKYJUVYWUOPMN-HVNZXBJASA-N 0 0 532.979 6.387 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(F)cc1 ZINC000001200261 551623300 /nfs/dbraw/zinc/62/33/00/551623300.db2.gz GIXZZMYUHKRZEO-QCDSWUKFSA-N 0 0 581.393 6.327 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000001276060 551635880 /nfs/dbraw/zinc/63/58/80/551635880.db2.gz YTWYFWOGQCDINI-PZWMIYICSA-N 0 0 599.639 5.945 50 10 KKCARN Cc1ccc([C@@H]2C3(O[C@H](c4ccc(Br)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001276802 551635881 /nfs/dbraw/zinc/63/58/81/551635881.db2.gz NBZCJMKTRNCKLX-SUYBVONHSA-N 0 0 577.430 6.496 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000001307290 551639364 /nfs/dbraw/zinc/63/93/64/551639364.db2.gz BRXUHPNAKXZXEK-DQRAZIAOSA-N 0 0 512.056 5.229 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCc1ccccc1 ZINC000001446495 551674241 /nfs/dbraw/zinc/67/42/41/551674241.db2.gz LAAZPYREBJIPMD-UQQQWYQISA-N 0 0 543.670 5.478 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001749797 551692688 /nfs/dbraw/zinc/69/26/88/551692688.db2.gz XMQDBPUTEDUBJC-NDENLUEZSA-N 0 0 548.542 6.661 50 10 KKCARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001759430 551694094 /nfs/dbraw/zinc/69/40/94/551694094.db2.gz ABFLSPGZJITXKT-HXUWFJFHSA-N 0 0 530.532 6.606 50 10 biogenic KKCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000001765013 551694851 /nfs/dbraw/zinc/69/48/51/551694851.db2.gz VVGNEFMPRFYVPS-DEDYPNTBSA-N 0 0 514.097 5.926 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000001767015 551695526 /nfs/dbraw/zinc/69/55/26/551695526.db2.gz BALKPWMYKSTYRN-BKUYFWCQSA-N 0 0 539.501 6.480 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000001792491 551701838 /nfs/dbraw/zinc/70/18/38/551701838.db2.gz MBNSTXIJDWHCGD-JCMHNJIXSA-N 0 0 553.528 6.870 50 10 KKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc21 ZINC000001803302 551704147 /nfs/dbraw/zinc/70/41/47/551704147.db2.gz LDLXSQIUTDJOKC-HNNXBMFYSA-N 0 0 511.441 6.426 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)sc2c1CCCC2 ZINC000001811492 551706500 /nfs/dbraw/zinc/70/65/00/551706500.db2.gz OGSILGIVHZWIGB-RGEXLXHISA-N 0 0 514.694 5.342 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001816793 551707894 /nfs/dbraw/zinc/70/78/94/551707894.db2.gz QWSMCSSCNFKCRH-MRXNPFEDSA-N 0 0 506.624 5.746 50 10 KKCARN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001821588 551708816 /nfs/dbraw/zinc/70/88/16/551708816.db2.gz IIFIPPGHMIFQTH-ZGWJWYQGSA-N 0 0 520.588 5.785 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000001823582 551709361 /nfs/dbraw/zinc/70/93/61/551709361.db2.gz GGTBGHNLMIFAFD-PWDQIPGLSA-N 0 0 511.603 5.766 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OC)ccc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000001827566 551710526 /nfs/dbraw/zinc/71/05/26/551710526.db2.gz AEKMSIVLMTVKEH-QQTULTPQSA-N 0 0 511.690 6.291 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2/c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000001835406 551712321 /nfs/dbraw/zinc/71/23/21/551712321.db2.gz ZJGPINOMWRCVGB-QOJBGXHZSA-N 0 0 534.062 5.658 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3cccc(C(F)(F)F)c3)C1=N2 ZINC000001844786 551714622 /nfs/dbraw/zinc/71/46/22/551714622.db2.gz QMGQIVTYDKORJV-PMERELPUSA-N 0 0 591.641 8.061 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000001845536 551714695 /nfs/dbraw/zinc/71/46/95/551714695.db2.gz OANGWAPUYGARBC-OCBJUFRSSA-N 0 0 540.575 6.220 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)cc3OC)SC2=S)cc1 ZINC000001854033 551716029 /nfs/dbraw/zinc/71/60/29/551716029.db2.gz ORSPLVBGVYLJEL-FMCGGJTJSA-N 0 0 576.921 7.105 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001869477 551719213 /nfs/dbraw/zinc/71/92/13/551719213.db2.gz IQFSCGIHGAVKRT-JBOQNHBVSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)SC2=S)cc1OC ZINC000001872898 551720316 /nfs/dbraw/zinc/72/03/16/551720316.db2.gz UOIPOYQLYBRVBP-MTDXEUNCSA-N 0 0 555.725 6.617 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1cccs1 ZINC000001873190 551720344 /nfs/dbraw/zinc/72/03/44/551720344.db2.gz ILDFBONMTJYLDE-JCMHNJIXSA-N 0 0 563.682 5.180 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000001876077 551722526 /nfs/dbraw/zinc/72/25/26/551722526.db2.gz PFDFOMFRJAVKCA-ULNSLHSMSA-N 0 0 551.976 6.935 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000001877495 551723224 /nfs/dbraw/zinc/72/32/24/551723224.db2.gz KJDIAXSQYAPYKT-GKRYNVPLSA-N 0 0 561.981 6.053 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001885040 551725286 /nfs/dbraw/zinc/72/52/86/551725286.db2.gz AKPWKQQWCCUHAQ-OIFRRMEBSA-N 0 0 559.593 6.159 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000001892452 551726663 /nfs/dbraw/zinc/72/66/63/551726663.db2.gz NPDQXROELRVADV-JCMHNJIXSA-N 0 0 551.512 6.777 50 10 KKCARN CN(C)c1ccc([C@]2([C@@]3(c4ccc(N(C)C)cc4)C(=O)c4ccc(Cl)cc4C3=O)C(=O)c3ccc(Cl)cc3C2=O)cc1 ZINC000001898037 551729218 /nfs/dbraw/zinc/72/92/18/551729218.db2.gz DHHOGISTGVORPE-HEVIKAOCSA-N 0 0 597.498 6.460 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000001898925 551729581 /nfs/dbraw/zinc/72/95/81/551729581.db2.gz LBYBIVPQQYEWOB-OUYGKKDFSA-N 0 0 567.685 7.210 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3ccc(C)c(Cl)c3)C1=N2 ZINC000001899190 551729848 /nfs/dbraw/zinc/72/98/48/551729848.db2.gz AYADZHHRJUUUIR-HKBQPEDESA-N 0 0 572.116 8.004 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(F)cc3)C2=O)SC1=S ZINC000001900102 551730508 /nfs/dbraw/zinc/73/05/08/551730508.db2.gz QWIPKPFWWJFNEK-OQTLSSFXSA-N 0 0 517.607 5.144 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000001901912 551731233 /nfs/dbraw/zinc/73/12/33/551731233.db2.gz QYQSKAPUHZQMEN-OLUZHXLYSA-N 0 0 576.048 6.674 50 10 KKCARN Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000002026150 551736433 /nfs/dbraw/zinc/73/64/33/551736433.db2.gz HHLMWQDRYZAENA-UHFFFAOYSA-N 0 0 518.457 7.846 50 10 KKCARN CCC(C)(C)c1ccc(O[C@@H](C(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)c2)C(C)C)cc1 ZINC000002053606 551739206 /nfs/dbraw/zinc/73/92/06/551739206.db2.gz YEUGARSUAWTKEX-GDLZYMKVSA-N 0 0 540.664 5.897 50 10 KKCARN COc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000002053281 551739221 /nfs/dbraw/zinc/73/92/21/551739221.db2.gz PCWLJXOJHZAIRA-UHFFFAOYSA-N 0 0 514.990 6.357 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000002063076 551743995 /nfs/dbraw/zinc/74/39/95/551743995.db2.gz DQZZBQIQPFCINE-PGMHBOJBSA-N 0 0 502.397 8.123 50 10 KKCARN O=C1C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000002068452 551746525 /nfs/dbraw/zinc/74/65/25/551746525.db2.gz PTPAZGAXODRDFC-UHFFFAOYSA-N 0 0 519.409 7.002 50 10 KKCARN Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000002080674 551751258 /nfs/dbraw/zinc/75/12/58/551751258.db2.gz AZEJXNFWUYHSGB-UFFVCSGVSA-N 0 0 546.830 6.655 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002089293 551758348 /nfs/dbraw/zinc/75/83/48/551758348.db2.gz WEWVCTBHZLXVPN-CFEDROAVSA-N 0 0 599.778 5.209 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c1-c1nc2ccccc2s1 ZINC000002106821 551764525 /nfs/dbraw/zinc/76/45/25/551764525.db2.gz FTVBXNCALNPINF-GTJUCTONSA-N 0 0 560.716 6.915 50 10 biogenic KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120501 551770251 /nfs/dbraw/zinc/77/02/51/551770251.db2.gz QDBLPCXFJQQHNW-YNMQQHPQSA-N 0 0 576.118 5.258 50 10 KKCARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(N(CC)CC)cc3O)sc2=N1 ZINC000002149456 551777779 /nfs/dbraw/zinc/77/77/79/551777779.db2.gz FVMQWHOCQCWBNG-POKSHJSXSA-N 0 0 599.753 5.292 50 10 KKCARN CCOc1cc(/C=C2\SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(Br)c1OC1CCCC1 ZINC000002177810 551783726 /nfs/dbraw/zinc/78/37/26/551783726.db2.gz OSBHBEMQWYCWRH-HAHDFKILSA-N 0 0 543.483 6.501 50 10 KKCARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)C3=C2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1OC ZINC000002186096 551787205 /nfs/dbraw/zinc/78/72/05/551787205.db2.gz YPIZZNVBODQUSA-GELNIQQISA-N 0 0 593.477 6.939 50 10 KKCARN CCCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(OC)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000002193573 551791548 /nfs/dbraw/zinc/79/15/48/551791548.db2.gz FWFSHMVTHFSPKZ-UHFFFAOYSA-N 0 0 511.621 7.938 50 10 KKCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000002198799 551792223 /nfs/dbraw/zinc/79/22/23/551792223.db2.gz NGOBRYGTVLQLEM-CCPXZDFDSA-N 0 0 525.699 7.289 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccccc3)C1=N2 ZINC000002212557 551794472 /nfs/dbraw/zinc/79/44/72/551794472.db2.gz NWCSVPLYCSMGDA-NDEPHWFRSA-N 0 0 512.573 6.387 50 10 aggregator KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C ZINC000002216292 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Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c(C)n1-c1ccccc1 ZINC000003355119 552368488 /nfs/dbraw/zinc/36/84/88/552368488.db2.gz WZAZOOZXVFQIKM-UHFFFAOYSA-N 0 0 537.037 5.612 50 10 KKCARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)ccc1C ZINC000003355110 552368522 /nfs/dbraw/zinc/36/85/22/552368522.db2.gz PLTLIMPXEKLWLN-UHFFFAOYSA-N 0 0 548.636 5.797 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003358303 552369840 /nfs/dbraw/zinc/36/98/40/552369840.db2.gz IRSABEPEQHPDCN-UHFFFAOYSA-N 0 0 537.563 6.861 50 10 KKCARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)NCc3cccs3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003362031 552371465 /nfs/dbraw/zinc/37/14/65/552371465.db2.gz MCNAFWVQVIDXNT-HMAPJEAMSA-N 0 0 542.633 5.209 50 10 KKCARN CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c2C)nnc1-c1ccccc1 ZINC000003365484 552373222 /nfs/dbraw/zinc/37/32/22/552373222.db2.gz DCLAFKIJESHWFO-UHFFFAOYSA-N 0 0 517.001 6.602 50 10 KKCARN Cc1cc(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003368962 552374606 /nfs/dbraw/zinc/37/46/06/552374606.db2.gz FOMVHRKJWBCGNC-QFIPXVFZSA-N 0 0 502.514 5.342 50 10 KKCARN COc1cc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000003388005 552379060 /nfs/dbraw/zinc/37/90/60/552379060.db2.gz NFROSGOAXYPWDC-ITYLOYPMSA-N 0 0 503.599 5.206 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)/C=C/c4cc(OC)ccc4OC)n3)c2C)cc1 ZINC000003401015 552380834 /nfs/dbraw/zinc/38/08/34/552380834.db2.gz XQBJWJIYTBMSPE-MDWZMJQESA-N 0 0 517.607 5.673 50 10 KKCARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cc(C)n(-c5ccc(F)cc5)c4C)cc3C2=O)cc1 ZINC000003411266 552382158 /nfs/dbraw/zinc/38/21/58/552382158.db2.gz NAXXIXBFABLLQW-UHFFFAOYSA-N 0 0 553.546 5.032 50 10 KKCARN COc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c([N+](=O)[O-])cc1OC ZINC000003411845 552382193 /nfs/dbraw/zinc/38/21/93/552382193.db2.gz IITPECYDQZOECK-HNNXBMFYSA-N 0 0 518.469 5.049 50 10 KKCARN Cc1cc(C(=O)COc2ncnc3ccc(Br)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003430552 552385209 /nfs/dbraw/zinc/38/52/09/552385209.db2.gz RRNGGFIAPJVARQ-UHFFFAOYSA-N 0 0 504.306 6.080 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000003662572 552407841 /nfs/dbraw/zinc/40/78/41/552407841.db2.gz YMUQEHMAYUSGKL-LFVJCYFKSA-N 0 0 547.463 7.619 50 10 KKCARN COc1ccccc1N1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003665778 552408734 /nfs/dbraw/zinc/40/87/34/552408734.db2.gz HPHSKQJEFOLGAE-UHFFFAOYSA-N 0 0 520.564 6.257 50 10 KKCARN CCOC(=O)c1cccc(Nc2cc(N3CCN(c4ccccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741857 552412957 /nfs/dbraw/zinc/41/29/57/552412957.db2.gz SVONLTSFVYIDAM-UHFFFAOYSA-N 0 0 545.599 5.681 50 10 KKCARN COc1ccc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741921 552412984 /nfs/dbraw/zinc/41/29/84/552412984.db2.gz OSHCFNYDCFECHV-UHFFFAOYSA-N 0 0 520.564 6.257 50 10 KKCARN CCOC(=O)c1cccc(Nc2cc(N3CCC[C@H](C(=O)OCC)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741926 552413019 /nfs/dbraw/zinc/41/30/19/552413019.db2.gz LQVYNEWDUIJOJB-IBGZPJMESA-N 0 0 539.588 5.739 50 10 KKCARN COc1ccc(Nc2cc(N3CCN(c4ccc(OC)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741973 552413347 /nfs/dbraw/zinc/41/33/47/552413347.db2.gz HJNHSKLLRBFBAN-UHFFFAOYSA-N 0 0 532.600 6.127 50 10 KKCARN CCOC(=O)c1cccc(Nc2cc(N3CCN(c4ccccc4F)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741976 552413350 /nfs/dbraw/zinc/41/33/50/552413350.db2.gz FDLNTKGNWJDYRR-UHFFFAOYSA-N 0 0 562.601 6.425 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003741940 552413365 /nfs/dbraw/zinc/41/33/65/552413365.db2.gz WIOTZJUFUWIIPA-QGZVFWFLSA-N 0 0 525.561 5.334 50 10 KKCARN COc1cc(Nc2cc(N3CCN(c4ccccc4F)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC ZINC000003741980 552413519 /nfs/dbraw/zinc/41/35/19/552413519.db2.gz KUKVQKMRFRVWKZ-UHFFFAOYSA-N 0 0 580.616 6.274 50 10 KKCARN CCOc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCCC6)cc5C)c(=O)n42)c2ccccc2CC3)cc1 ZINC000003767739 552414860 /nfs/dbraw/zinc/41/48/60/552414860.db2.gz GOBMQTIIWSGMLN-AYKFIEGGSA-N 0 0 547.724 5.626 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000003768927 552415373 /nfs/dbraw/zinc/41/53/73/552415373.db2.gz AMWUUFGVSOMTCA-MFKUBSTISA-N 0 0 518.660 6.044 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 ZINC000003986476 552424721 /nfs/dbraw/zinc/42/47/21/552424721.db2.gz XPWDWDQNLQIFRC-SMIDNAKXSA-N 0 0 527.602 5.466 50 10 KKCARN COC(=O)c1ccc([C@@]2(C)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000003991825 552425248 /nfs/dbraw/zinc/42/52/48/552425248.db2.gz FQVACMDQHWMCRC-OBZNHSRCSA-N 0 0 502.636 5.891 50 10 KKCARN Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000004017682 552428673 /nfs/dbraw/zinc/42/86/73/552428673.db2.gz DYPZFDABSWTRQI-LCYJPPDJSA-N 0 0 520.873 6.823 50 10 KKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000004064225 552431850 /nfs/dbraw/zinc/43/18/50/552431850.db2.gz CFKWXYDJOZZLKJ-TWKHWXDSSA-N 0 0 548.712 6.525 50 10 KKCARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2-c2ccccc2)cc1 ZINC000004064262 552431907 /nfs/dbraw/zinc/43/19/07/552431907.db2.gz GDXTXGPSYNXUES-SJIPCVTESA-N 0 0 551.646 7.794 50 10 KKCARN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004090159 552434953 /nfs/dbraw/zinc/43/49/53/552434953.db2.gz LEXWKHJVXFGOEU-NVQSTNCTSA-N 0 0 524.533 6.908 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000004131801 552442347 /nfs/dbraw/zinc/44/23/47/552442347.db2.gz NPUGASPDXRYGGI-GMQQYTKMSA-N 0 0 533.967 5.702 50 10 KKCARN CCCCCCc1cc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c(C[N@H+](CC)CCCC)c1[O-] ZINC000004289784 552456413 /nfs/dbraw/zinc/45/64/13/552456413.db2.gz FWSIUSPULGLNKG-UHFFFAOYSA-N 0 0 547.658 8.671 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000004420294 552460080 /nfs/dbraw/zinc/46/00/80/552460080.db2.gz KSYOSFPXQPIWKH-UQRQXUALSA-N 0 0 543.683 6.248 50 10 KKCARN O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl)Oc1ccc(Br)cc1 ZINC000004558525 552467217 /nfs/dbraw/zinc/46/72/17/552467217.db2.gz INNDXYQWMURHDN-IBGZPJMESA-N 0 0 542.648 7.761 50 10 KKCARN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCC(=O)C3)c(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1 ZINC000004647592 552470733 /nfs/dbraw/zinc/47/07/33/552470733.db2.gz YDOSWXQZRWUXSD-OAQYLSRUSA-N 0 0 548.686 5.895 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000004652767 552471154 /nfs/dbraw/zinc/47/11/54/552471154.db2.gz OSGAGAUIEMVVES-CGYHDWOCSA-N 0 0 545.642 5.466 50 10 KKCARN CC(C)c1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1 ZINC000004715977 552472713 /nfs/dbraw/zinc/47/27/13/552472713.db2.gz ZFYLNDWDNUNYIZ-MBTLPQJVSA-N 0 0 529.691 6.201 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21 ZINC000004782668 552481605 /nfs/dbraw/zinc/48/16/05/552481605.db2.gz ATYKIHBDHBJLMV-YVYXTAJVSA-N 0 0 520.614 6.033 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)n1c(SCc2ccccc2)nc2ccccc21 ZINC000005354819 552498232 /nfs/dbraw/zinc/49/82/32/552498232.db2.gz NERFXVSFYVVJHR-XQNSMLJCSA-N 0 0 550.130 6.914 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000005354911 552498292 /nfs/dbraw/zinc/49/82/92/552498292.db2.gz CMVLPLGBGAMWKP-JJIBRWJFSA-N 0 0 529.712 6.569 50 10 KKCARN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000006038794 552520958 /nfs/dbraw/zinc/52/09/58/552520958.db2.gz JCQQXKPXIBFDRH-DQCZWYHMSA-N 0 0 531.475 7.230 50 10 KKCARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc2oc1-c1ccccc1 ZINC000006142782 552544224 /nfs/dbraw/zinc/54/42/24/552544224.db2.gz GGOTXCLJXSPTSW-UHFFFAOYSA-N 0 0 551.576 5.853 50 10 KKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)cc1 ZINC000006143138 552544857 /nfs/dbraw/zinc/54/48/57/552544857.db2.gz KBOKRZMEQKTDCZ-BWAHOGKJSA-N 0 0 513.066 7.144 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006167986 552558271 /nfs/dbraw/zinc/55/82/71/552558271.db2.gz YTSHDTOHWCWDNK-OCEWKHMESA-N 0 0 581.616 5.143 50 10 KKCARN COc1ccccc1NC[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000006177064 552559898 /nfs/dbraw/zinc/55/98/98/552559898.db2.gz BQNGLWAFNXPLJO-MRXNPFEDSA-N 0 0 598.222 5.485 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(OC)c3N(C(=O)c3cccc(OC)c3)C(C)(C)C2=S)S1 ZINC000006190981 552564532 /nfs/dbraw/zinc/56/45/32/552564532.db2.gz WSEXJZJJHGYAET-UHFFFAOYSA-N 0 0 571.698 5.219 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(OC)c3N(C(=O)c3ccc(F)cc3)C(C)(C)C2=S)S1 ZINC000006190980 552564559 /nfs/dbraw/zinc/56/45/59/552564559.db2.gz KGRJDDYWDQSXSL-UHFFFAOYSA-N 0 0 559.662 5.349 50 10 KKCARN 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/nfs/dbraw/zinc/30/73/98/553307398.db2.gz KWXYAGSTKMCJMJ-UHFFFAOYSA-N 0 0 525.561 5.349 50 10 KKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000009845915 553311424 /nfs/dbraw/zinc/31/14/24/553311424.db2.gz ZGIXYUFWFMMFQO-MXAYSNPKSA-N 0 0 513.465 6.964 50 10 KKCARN Cc1c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2cc(C)ccc2n1CCOc1ccc(C)cc1 ZINC000009849441 553312417 /nfs/dbraw/zinc/31/24/17/553312417.db2.gz FSKUABJRHZEPDX-PKAZHMFMSA-N 0 0 516.663 7.190 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1c(C)cccc1C ZINC000009957674 553320406 /nfs/dbraw/zinc/32/04/06/553320406.db2.gz ZIZPDYDGZCCRNP-BWAHOGKJSA-N 0 0 505.661 6.566 50 10 KKCARN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000011852421 553345020 /nfs/dbraw/zinc/34/50/20/553345020.db2.gz CCGTVROFRDYNMV-NDENLUEZSA-N 0 0 563.648 5.991 50 10 KKCARN COc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000012285111 553356288 /nfs/dbraw/zinc/35/62/88/553356288.db2.gz UGYLHLIWSDRQCZ-KQWNVCNZSA-N 0 0 508.577 5.467 50 10 KKCARN CCCCC1(COC(=O)c2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000012367826 553359867 /nfs/dbraw/zinc/35/98/67/553359867.db2.gz NXCSLBLDXMPQNP-UHFFFAOYSA-N 0 0 511.405 6.322 50 10 KKCARN COC(=O)c1cccc(Nc2c(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)nc3ccc(Cl)cn32)c1 ZINC000012417853 553365428 /nfs/dbraw/zinc/36/54/28/553365428.db2.gz TYOWDERYTJJGPI-UHFFFAOYSA-N 0 0 511.887 7.464 50 10 KKCARN Cc1ccc(Sc2c(C(=O)Nc3cccc(C(F)(F)F)c3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012461906 553367019 /nfs/dbraw/zinc/36/70/19/553367019.db2.gz DKXLFAUTBJNMLZ-UHFFFAOYSA-N 0 0 517.528 7.193 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000012559030 553393729 /nfs/dbraw/zinc/39/37/29/553393729.db2.gz CXOCVPKXEIJLEP-GRSHGNNSSA-N 0 0 516.069 5.236 50 10 KKCARN CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000012559591 553393955 /nfs/dbraw/zinc/39/39/55/553393955.db2.gz GMINFJOZGZTUAG-SSEXGKCCSA-N 0 0 516.670 7.245 50 10 KKCARN O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012564161 553396046 /nfs/dbraw/zinc/39/60/46/553396046.db2.gz CZMVJZXZRISMSH-UHFFFAOYSA-N 0 0 509.974 6.282 50 10 KKCARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000012591758 553400395 /nfs/dbraw/zinc/40/03/95/553400395.db2.gz DHBKVZABELOOFP-LJAQVGFWSA-N 0 0 505.526 5.316 50 10 KKCARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000012591762 553400423 /nfs/dbraw/zinc/40/04/23/553400423.db2.gz DHBKVZABELOOFP-GDLZYMKVSA-N 0 0 505.526 5.316 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012615110 553402613 /nfs/dbraw/zinc/40/26/13/553402613.db2.gz QGMPAAVNKMLGSO-HAHDFKILSA-N 0 0 507.633 6.206 50 10 KKCARN Cc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012631276 553405651 /nfs/dbraw/zinc/40/56/51/553405651.db2.gz FLDHCSPQNTVEAI-UHFFFAOYSA-N 0 0 504.705 6.930 50 10 KKCARN Cc1cc(C(=O)Cn2c(COc3ccc(Br)cc3)nc3ccccc32)c(C)n1-c1ccccc1 ZINC000012640952 553408302 /nfs/dbraw/zinc/40/83/02/553408302.db2.gz IZJFDQZRULZYJX-UHFFFAOYSA-N 0 0 514.423 6.668 50 10 KKCARN Cc1c(COC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000012953604 553429191 /nfs/dbraw/zinc/42/91/91/553429191.db2.gz DLXBNDRKCXPPOH-UHFFFAOYSA-N 0 0 582.427 7.539 50 10 KKCARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000012953990 553429202 /nfs/dbraw/zinc/42/92/02/553429202.db2.gz DUEKEVWDIKABAN-UHFFFAOYSA-N 0 0 526.580 6.744 50 10 KKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccc(Cl)cc4)c3)n2n1 ZINC000012955321 553429539 /nfs/dbraw/zinc/42/95/39/553429539.db2.gz FXPLBQKMGOOLTG-UHFFFAOYSA-N 0 0 604.113 7.068 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c(C)n1-c1cc(C)cc(C)c1 ZINC000013134463 553452267 /nfs/dbraw/zinc/45/22/67/553452267.db2.gz TVPYRWRKWXJECE-UHFFFAOYSA-N 0 0 504.030 6.266 50 10 KKCARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000013527340 553469292 /nfs/dbraw/zinc/46/92/92/553469292.db2.gz KASMCJVYIYHUCM-UHFFFAOYSA-N 0 0 519.582 5.540 50 10 KKCARN Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000013618858 553478150 /nfs/dbraw/zinc/47/81/50/553478150.db2.gz UWWLAGMURWEMSR-IRIMNVEESA-N 0 0 518.708 5.448 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S ZINC000013712354 553486014 /nfs/dbraw/zinc/48/60/14/553486014.db2.gz YQVQZTJRTSBFNM-HKWRFOASSA-N 0 0 502.706 5.011 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl ZINC000013750700 553487986 /nfs/dbraw/zinc/48/79/86/553487986.db2.gz WVHTVYYKMQNSDH-HAHDFKILSA-N 0 0 512.100 6.981 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1Cl ZINC000013750991 553487990 /nfs/dbraw/zinc/48/79/90/553487990.db2.gz CIDHSNFRNOMOHL-KQWNVCNZSA-N 0 0 512.100 6.983 50 10 KKCARN Cc1ccc(C)c(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1 ZINC000013752200 553488167 /nfs/dbraw/zinc/48/81/67/553488167.db2.gz JTVDMVWXMHXTQK-XNNCMUMCSA-N 0 0 516.648 5.880 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013785523 553490463 /nfs/dbraw/zinc/49/04/63/553490463.db2.gz YQELZYQIAPNOPG-NFLXFJMZSA-N 0 0 503.425 6.161 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013799024 553491017 /nfs/dbraw/zinc/49/10/17/553491017.db2.gz ZSQZLCLFRJRALB-VOTRPJCDSA-N 0 0 530.694 6.044 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000013799520 553491040 /nfs/dbraw/zinc/49/10/40/553491040.db2.gz PTTPESRSAFKPSV-KXMDIPODSA-N 0 0 523.658 6.962 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000013799029 553491059 /nfs/dbraw/zinc/49/10/59/553491059.db2.gz ZSQZLCLFRJRALB-NRZQLQJQSA-N 0 0 530.694 6.044 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000013800460 553491270 /nfs/dbraw/zinc/49/12/70/553491270.db2.gz WYGMTMPNLBVVGN-HEVMCXDHSA-N 0 0 525.630 6.074 50 10 KKCARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000013801841 553491367 /nfs/dbraw/zinc/49/13/67/553491367.db2.gz GJOHKNNVADVLJD-UUWRZZSWSA-N 0 0 518.572 7.870 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1C ZINC000013802106 553491523 /nfs/dbraw/zinc/49/15/23/553491523.db2.gz AHEXXGMTMLYNFU-BWAHOGKJSA-N 0 0 521.708 6.264 50 10 KKCARN CCc1cc(C)cc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c1 ZINC000013810250 553492154 /nfs/dbraw/zinc/49/21/54/553492154.db2.gz CDAKEOQBYWFEGJ-RKDLFIHYSA-N 0 0 509.631 6.319 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000013831093 553492893 /nfs/dbraw/zinc/49/28/93/553492893.db2.gz PWHOGYMLSRBVHI-XXBNENTESA-N 0 0 503.755 5.898 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000013895493 553494510 /nfs/dbraw/zinc/49/45/10/553494510.db2.gz SUVIQOQPJOBHAA-UNJPEWJUSA-N 0 0 527.046 5.843 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(Cl)c(C)c2)SC1=S ZINC000013894922 553494537 /nfs/dbraw/zinc/49/45/37/553494537.db2.gz GIRQSQFIRAPQLI-UNOMPAQXSA-N 0 0 512.878 6.090 50 10 KKCARN O=C1/C(=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)SC(=S)N1c1ccccc1 ZINC000013897272 553495042 /nfs/dbraw/zinc/49/50/42/553495042.db2.gz BNJCBQWDOZPBDS-MTJSOVHGSA-N 0 0 506.863 7.632 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C3CCCCC3)cc2)SC1=S ZINC000013898296 553495093 /nfs/dbraw/zinc/49/50/93/553495093.db2.gz ADXYMCRPXLTMCG-ULJHMMPZSA-N 0 0 502.101 7.067 50 10 KKCARN Cc1c(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1C ZINC000013898921 553495161 /nfs/dbraw/zinc/49/51/61/553495161.db2.gz XZMYCUZRIMVJHR-HOPZWBBKSA-N 0 0 503.631 6.282 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000013899113 553495213 /nfs/dbraw/zinc/49/52/13/553495213.db2.gz WRIYNYRWDUMKJE-OHQAHJEGSA-N 0 0 514.538 5.029 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000013914945 553495603 /nfs/dbraw/zinc/49/56/03/553495603.db2.gz NCAGXPBTFKORGK-GRSHGNNSSA-N 0 0 501.797 7.041 50 10 KKCARN Cc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000013940291 553496146 /nfs/dbraw/zinc/49/61/46/553496146.db2.gz DWIDYWWZOOKSJR-XYGWBWBKSA-N 0 0 520.632 6.071 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000013940530 553496329 /nfs/dbraw/zinc/49/63/29/553496329.db2.gz BRSUWIUZIFMIFP-PPIATVRMSA-N 0 0 506.628 5.435 50 10 KKCARN Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013940568 553496332 /nfs/dbraw/zinc/49/63/32/553496332.db2.gz JBAVSMYYILYBQG-HYARGMPZSA-N 0 0 516.471 7.165 50 10 KKCARN Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000013940801 553496548 /nfs/dbraw/zinc/49/65/48/553496548.db2.gz JBBCGUQUUODMHU-UQQQWYQISA-N 0 0 510.080 7.211 50 10 KKCARN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=[NH+]c1cccc(=NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)[nH]1 ZINC000015134063 553528178 /nfs/dbraw/zinc/52/81/78/553528178.db2.gz NQIUUQWGFXDBRS-DRPBVWSQSA-N 0 0 505.582 5.135 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000015229596 553529667 /nfs/dbraw/zinc/52/96/67/553529667.db2.gz JMJNDCFOCVENSM-CNEWXIHYSA-N 0 0 502.640 5.408 50 10 KKCARN Cc1ccccc1COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2C)C1=O ZINC000015945530 553544055 /nfs/dbraw/zinc/54/40/55/553544055.db2.gz FHROFVVJVYBABR-UUYOSTAYSA-N 0 0 500.472 7.595 50 10 KKCARN CCOc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O ZINC000015947350 553545345 /nfs/dbraw/zinc/54/53/45/553545345.db2.gz PGCYLNACKHOBPD-QFIPXVFZSA-N 0 0 514.445 5.602 50 10 KKCARN COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000015999029 553549624 /nfs/dbraw/zinc/54/96/24/553549624.db2.gz DSYYNVWUYZRJKO-HJOGWXRNSA-N 0 0 504.369 5.600 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000015999307 553549647 /nfs/dbraw/zinc/54/96/47/553549647.db2.gz VCDWHGPNNYMFCP-DTXPUJKBSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000016000459 553549727 /nfs/dbraw/zinc/54/97/27/553549727.db2.gz OSCYFHIYSSPJBS-CHQNGUEUSA-N 0 0 525.604 6.320 50 10 KKCARN O=C(c1ccccc1F)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016000510 553549897 /nfs/dbraw/zinc/54/98/97/553549897.db2.gz CAMUVCRWZSEJOF-AWCRTANDSA-N 0 0 517.531 6.281 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016001548 553550075 /nfs/dbraw/zinc/55/00/75/553550075.db2.gz JGTSLLHKEPJLRG-UPRLRBBYSA-N 0 0 517.606 6.073 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016006977 553550254 /nfs/dbraw/zinc/55/02/54/553550254.db2.gz FWZVKFWTTDXTHQ-OYUWMTPXSA-N 0 0 509.577 5.883 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(C)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016009859 553550470 /nfs/dbraw/zinc/55/04/70/553550470.db2.gz QOPOXXZTYBJAGE-YTCPBCGMSA-N 0 0 519.641 6.442 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000016010129 553550627 /nfs/dbraw/zinc/55/06/27/553550627.db2.gz ZGMHALOVDIXJTD-RWSKJCERSA-N 0 0 525.604 6.320 50 10 KKCARN COC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016033565 553551703 /nfs/dbraw/zinc/55/17/03/553551703.db2.gz MADJSAKCXBPCHO-HJOGWXRNSA-N 0 0 503.476 5.312 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000016039111 553552755 /nfs/dbraw/zinc/55/27/55/553552755.db2.gz GVWJNEOJIHKVKX-IARZGTGTSA-N 0 0 521.613 5.752 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000016038828 553552767 /nfs/dbraw/zinc/55/27/67/553552767.db2.gz WKKBAUGKYZBAMI-ZWEKWIFMSA-N 0 0 522.601 5.241 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016196054 553556666 /nfs/dbraw/zinc/55/66/66/553556666.db2.gz STRDVODMDOTOED-CFRMEGHHSA-N 0 0 511.709 6.351 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016667184 553571422 /nfs/dbraw/zinc/57/14/22/553571422.db2.gz OOAFPXPAXSGKSK-MTJSOVHGSA-N 0 0 509.521 5.710 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000016730042 553576345 /nfs/dbraw/zinc/57/63/45/553576345.db2.gz IOCKWWZPDQVEAG-LFVJCYFKSA-N 0 0 520.636 5.990 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccccc4C)C3=O)SC2=S)cc1 ZINC000016731651 553577300 /nfs/dbraw/zinc/57/73/00/553577300.db2.gz LCULSGOATCWSRH-IZHYLOQSSA-N 0 0 513.644 5.060 50 10 KKCARN COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)oc21 ZINC000016736960 553579070 /nfs/dbraw/zinc/57/90/70/553579070.db2.gz WEPKFYDWWIEHEQ-SPMKTWQFSA-N 0 0 517.632 5.674 50 10 KKCARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016790765 553582501 /nfs/dbraw/zinc/58/25/01/553582501.db2.gz VVVNZRHSLNLVRB-FZZJAAAQSA-N 0 0 518.487 6.585 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCCC(C)C ZINC000017201501 553590491 /nfs/dbraw/zinc/59/04/91/553590491.db2.gz DLFSKXZFMGLIHN-ITYLOYPMSA-N 0 0 516.667 5.575 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4cccc(C(=O)OC)c4)C3=O)o2)cc1 ZINC000017264939 553591788 /nfs/dbraw/zinc/59/17/88/553591788.db2.gz QRMVYQFCZOSZJC-PLRJNAJWSA-N 0 0 519.553 6.381 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000017968290 553600731 /nfs/dbraw/zinc/60/07/31/553600731.db2.gz QKMLZRRUSQKQLB-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000070673544 553603693 /nfs/dbraw/zinc/60/36/93/553603693.db2.gz SCBSFTYSDNKEMO-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000070673472 553603696 /nfs/dbraw/zinc/60/36/96/553603696.db2.gz AIZCHOJOLGEWAW-YKILCQELSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070687099 553606168 /nfs/dbraw/zinc/60/61/68/553606168.db2.gz NKTNYKQIXHZKQE-RWSKJCERSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687887 553607734 /nfs/dbraw/zinc/60/77/34/553607734.db2.gz ALAJBVIRGKZBGY-YKILCQELSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020212690 553611759 /nfs/dbraw/zinc/61/17/59/553611759.db2.gz PXUOWQRDRZVONZ-UHFFFAOYSA-N 0 0 500.042 6.397 50 10 KKCARN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc([O-])c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000019793913 553616672 /nfs/dbraw/zinc/61/66/72/553616672.db2.gz HLXLDOXKAVJDAR-UHFFFAOYSA-N 0 0 505.577 7.349 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000070699755 553616866 /nfs/dbraw/zinc/61/68/66/553616866.db2.gz RXGWKRPJCPRRPG-OWHBQTKESA-N 0 0 601.655 6.037 50 10 biogenic KKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000019798699 553617127 /nfs/dbraw/zinc/61/71/27/553617127.db2.gz ACTNARJXLOSNML-ULJHMMPZSA-N 0 0 508.474 6.371 50 10 KKCARN COc1cc([C@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000019902798 553632849 /nfs/dbraw/zinc/63/28/49/553632849.db2.gz YDEISYFAMGRJDK-HHHXNRCGSA-N 0 0 520.029 5.531 50 10 KKCARN O=C(CSc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1)c1ccc(O)c(O)c1 ZINC000020530589 553669933 /nfs/dbraw/zinc/66/99/33/553669933.db2.gz ZJAXXPZDSPKARB-UHFFFAOYSA-N 0 0 515.635 6.280 50 10 KKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1 ZINC000083333219 553677064 /nfs/dbraw/zinc/67/70/64/553677064.db2.gz TYVMLCZAQHKZIS-MOHJPFBDSA-N 0 0 512.704 7.029 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(Cl)cc3Cl)N2)c1O ZINC000020764422 553696616 /nfs/dbraw/zinc/69/66/16/553696616.db2.gz PNFMFLCNVDSVTB-ZJSXRUAMSA-N 0 0 520.254 7.083 50 10 KKCARN Cc1ccc(S(=O)(=O)N(c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095660859 553706630 /nfs/dbraw/zinc/70/66/30/553706630.db2.gz QSKWOLGPAXBPJJ-UHFFFAOYSA-N 0 0 566.056 5.316 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=S)NCCc2ccccc2)cc1 ZINC000095945175 553715595 /nfs/dbraw/zinc/71/55/95/553715595.db2.gz LGSFKAJXTCBBPN-VWLOTQADSA-N 0 0 507.501 5.783 50 10 KKCARN O=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1cccc(Br)c1 ZINC000096234522 553731697 /nfs/dbraw/zinc/73/16/97/553731697.db2.gz XTSNBTWLUBQZQR-PXLXIMEGSA-N 0 0 512.450 6.313 50 10 KKCARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1cc(N(CC)CC)ccc1CN(C(C)=O)C(C)C ZINC000096290636 553743852 /nfs/dbraw/zinc/74/38/52/553743852.db2.gz QCWPCORITRTDMO-UHFFFAOYSA-N 0 0 518.676 5.014 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096602709 553756976 /nfs/dbraw/zinc/75/69/76/553756976.db2.gz VPYWFDOGBZLODB-UYQLFUIGSA-N 0 0 523.637 6.164 50 10 KKCARN CCN(CC)c1ccc(/C=C\C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)cc1 ZINC000097340660 553758690 /nfs/dbraw/zinc/75/86/90/553758690.db2.gz BBPHRZXHKRLZGN-KJSQFUGVSA-N 0 0 514.467 7.185 50 10 KKCARN O=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC(=S)N1Cc1ccccc1 ZINC000023402420 553774716 /nfs/dbraw/zinc/77/47/16/553774716.db2.gz ALEMTXZRGKJNSG-CFRMEGHHSA-N 0 0 509.483 7.398 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000097945898 553775430 /nfs/dbraw/zinc/77/54/30/553775430.db2.gz VALSWNPCWVIJHH-CHHVJCJISA-N 0 0 639.616 6.858 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000097946020 553775966 /nfs/dbraw/zinc/77/59/66/553775966.db2.gz DNANVHVWQJEMDR-HAVVHWLPSA-N 0 0 522.742 7.339 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)SC2=S)cc1OC ZINC000097946228 553777680 /nfs/dbraw/zinc/77/76/80/553777680.db2.gz DDGMFAOEKHYMEQ-NVMPUMLXSA-N 0 0 633.795 7.579 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097946225 553777692 /nfs/dbraw/zinc/77/76/92/553777692.db2.gz UWVWAFQCALVYFU-ANYBSYGZSA-N 0 0 553.753 7.900 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 ZINC000097946273 553777902 /nfs/dbraw/zinc/77/79/02/553777902.db2.gz RDRAJVUJJANBNZ-SJIPCVTESA-N 0 0 538.651 7.471 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c(C)c1 ZINC000097946303 553778185 /nfs/dbraw/zinc/77/81/85/553778185.db2.gz IUNXNHIBJVHLPH-NVMPUMLXSA-N 0 0 619.190 8.868 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000097946341 553778484 /nfs/dbraw/zinc/77/84/84/553778484.db2.gz LZSLTNCZUNOTJW-QXPFVDMISA-N 0 0 638.214 8.224 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)SC2=S)cc1OC ZINC000097946358 553778700 /nfs/dbraw/zinc/77/87/00/553778700.db2.gz PJCQWZOTTCKHQR-UQQQWYQISA-N 0 0 535.643 5.376 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S)c1ccccc1Cl ZINC000097946351 553778741 /nfs/dbraw/zinc/77/87/41/553778741.db2.gz RRGQBSWXJQUKSD-HMAPJEAMSA-N 0 0 595.931 6.501 50 10 KKCARN CCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097946411 553779240 /nfs/dbraw/zinc/77/92/40/553779240.db2.gz LJCPVYAGHUOAOY-MOHJPFBDSA-N 0 0 532.735 5.463 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C1CCCC1 ZINC000097946444 553779497 /nfs/dbraw/zinc/77/94/97/553779497.db2.gz PZIVPFOJVWHCCR-NTFVMDSBSA-N 0 0 606.600 8.569 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1Cl ZINC000097946560 553780238 /nfs/dbraw/zinc/78/02/38/553780238.db2.gz TUYCSUFGUTVABT-UQQQWYQISA-N 0 0 538.138 7.515 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1Br ZINC000097946946 553782371 /nfs/dbraw/zinc/78/23/71/553782371.db2.gz LRSHBHZZFUQCCO-NAHYFOQLSA-N 0 0 576.541 7.273 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 ZINC000097946931 553782376 /nfs/dbraw/zinc/78/23/76/553782376.db2.gz RGZJHVVQPBAWQO-YQYKVWLJSA-N 0 0 556.691 7.435 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)cc3)SC2=S)cc1OC ZINC000097946957 553782648 /nfs/dbraw/zinc/78/26/48/553782648.db2.gz XOPIPUVACIBGFU-GHHNYUHXSA-N 0 0 587.763 7.064 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000097946960 553782685 /nfs/dbraw/zinc/78/26/85/553782685.db2.gz FBEGIFIYBPSKBF-STZFKDTASA-N 0 0 522.072 7.175 50 10 KKCARN CC(C)CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097946990 553782843 /nfs/dbraw/zinc/78/28/43/553782843.db2.gz KHZKATIXPMNLOD-ZZODWALSSA-N 0 0 547.913 5.918 50 10 KKCARN CC(C)CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947038 553783111 /nfs/dbraw/zinc/78/31/11/553783111.db2.gz PDFSDZIBBXUTIZ-ICPKIJIISA-N 0 0 571.979 6.886 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000097947090 553783656 /nfs/dbraw/zinc/78/36/56/553783656.db2.gz IUTBRDBCLLOZEP-BCJTWVECSA-N 0 0 675.836 6.447 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1OC ZINC000097947169 553784113 /nfs/dbraw/zinc/78/41/13/553784113.db2.gz GIEMFDYSZKGTOZ-OFWBYEQRSA-N 0 0 564.711 6.482 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947219 553784719 /nfs/dbraw/zinc/78/47/19/553784719.db2.gz RPFCRDGTYQBHLR-AHAGTPHESA-N 0 0 575.759 8.271 50 10 KKCARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000097947254 553785041 /nfs/dbraw/zinc/78/50/41/553785041.db2.gz BPEZVAMWOSKQCJ-IMRQLAEWSA-N 0 0 557.697 6.009 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000097947613 553787585 /nfs/dbraw/zinc/78/75/85/553787585.db2.gz APOLLJCNPUHGPE-IMRQLAEWSA-N 0 0 557.075 6.074 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947733 553788700 /nfs/dbraw/zinc/78/87/00/553788700.db2.gz YIDPGODCIQFTML-CLCOLTQESA-N 0 0 565.740 5.250 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)cc(C)c3N(C(=O)CCC3CCCCC3)C(C)(C)C2=S)S1 ZINC000097948478 553794062 /nfs/dbraw/zinc/79/40/62/553794062.db2.gz HTFQMUHPEGKJTN-UHFFFAOYSA-N 0 0 573.802 6.865 50 10 KKCARN O=C1C(=CNCCCN(C(=S)Nc2ccccc2)C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000097948684 553795805 /nfs/dbraw/zinc/79/58/05/553795805.db2.gz WOBXHXDSCDQLDX-UHFFFAOYSA-N 0 0 593.838 6.338 50 10 KKCARN CC(=O)Nc1ccc(-n2c(CCC(=O)NCc3c(F)cccc3Cl)ccc2-c2ccc(F)cc2)cc1 ZINC000025151209 553796640 /nfs/dbraw/zinc/79/66/40/553796640.db2.gz SWMKJNGKPIMRIE-UHFFFAOYSA-N 0 0 507.968 6.283 50 10 KKCARN Cc1ccc(C2=NN(C(=O)CC34C[C@H]5C[C@@H](C3)CC(n3cc(Br)c([N+](=O)[O-])n3)(C5)C4)[C@@H](c3ccccc3O)C2)o1 ZINC000097948860 553797460 /nfs/dbraw/zinc/79/74/60/553797460.db2.gz ZUEUMNFVVPMPMB-VCPKTDGVSA-N 0 0 608.493 6.224 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1O ZINC000097948929 553797979 /nfs/dbraw/zinc/79/79/79/553797979.db2.gz WSSMVEWKLAVWII-DEOSSOPVSA-N 0 0 618.040 7.980 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)CC(C)C ZINC000097949678 553802808 /nfs/dbraw/zinc/80/28/08/553802808.db2.gz JRHRDFJUOSLUFF-UHFFFAOYSA-N 0 0 535.709 5.333 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 ZINC000025398300 553808588 /nfs/dbraw/zinc/80/85/88/553808588.db2.gz OFAPTFHIHNVRBT-UHFFFAOYSA-N 0 0 510.634 5.832 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577231 553810900 /nfs/dbraw/zinc/81/09/00/553810900.db2.gz RSTZNEDDIWXIKK-ZEQKJWHPSA-N 0 0 505.799 7.204 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000026503164 553818969 /nfs/dbraw/zinc/81/89/69/553818969.db2.gz QXXRVXBBFBUDGT-YQPBSLOJSA-N 0 0 506.697 5.592 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000026532205 553819118 /nfs/dbraw/zinc/81/91/18/553819118.db2.gz KLTAKNVTWVWHGX-VNPDFKGRSA-N 0 0 516.667 5.798 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000026687354 553820393 /nfs/dbraw/zinc/82/03/93/553820393.db2.gz GJPIEPOQHXDRAX-DZAWMCJLSA-N 0 0 530.694 6.106 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)SC2=S)cc1OC ZINC000026965712 553822607 /nfs/dbraw/zinc/82/26/07/553822607.db2.gz TVHCFGHVAATXPS-JCMHNJIXSA-N 0 0 511.646 5.428 50 10 KKCARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000026967356 553822829 /nfs/dbraw/zinc/82/28/29/553822829.db2.gz OEQAXYFNTHDGRE-UMRBTORKSA-N 0 0 508.448 6.178 50 10 KKCARN CC1(C)[C@H](C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)[C@H]1C=C(Cl)Cl ZINC000026967364 553822877 /nfs/dbraw/zinc/82/28/77/553822877.db2.gz OEQAXYFNTHDGRE-GHAIRMMHSA-N 0 0 508.448 6.178 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000027018335 553823364 /nfs/dbraw/zinc/82/33/64/553823364.db2.gz LJTQEHPVYWIYEB-USHMODERSA-N 0 0 523.727 7.415 50 10 KKCARN CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)ccc1Cl ZINC000027501380 553826704 /nfs/dbraw/zinc/82/67/04/553826704.db2.gz SSSRPRDSCGLCNE-XSFVSMFZSA-N 0 0 516.903 6.992 50 10 KKCARN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000027519413 553826731 /nfs/dbraw/zinc/82/67/31/553826731.db2.gz XCWHXIFMHSIAFW-RCCKNPSSSA-N 0 0 516.380 7.511 50 10 KKCARN CCCCCCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)N=C2c2ccc(C)cc2)cc1 ZINC000027521064 553827420 /nfs/dbraw/zinc/82/74/20/553827420.db2.gz LSUHOOIZRGEFHA-OOAXWGSJSA-N 0 0 517.467 7.551 50 10 KKCARN CCCCCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)N=C2c2ccc(Cl)cc2)cc1 ZINC000027521608 553827687 /nfs/dbraw/zinc/82/76/87/553827687.db2.gz CUWQSLMUNRVMIJ-BWAHOGKJSA-N 0 0 505.014 6.761 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000027533942 553832638 /nfs/dbraw/zinc/83/26/38/553832638.db2.gz DNKXXIPMUJWOSP-KCKUBMDXSA-N 0 0 520.655 6.086 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)cc1C ZINC000027546799 553833007 /nfs/dbraw/zinc/83/30/07/553833007.db2.gz SYFHGMVQGPTCGC-CLYRCMFSSA-N 0 0 525.678 6.537 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000027549338 553833567 /nfs/dbraw/zinc/83/35/67/553833567.db2.gz NQFZHOIBRBCYQC-XEQYNKKRSA-N 0 0 512.591 5.015 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000027549306 553833591 /nfs/dbraw/zinc/83/35/91/553833591.db2.gz RMGYQBHXDGMKDO-ZAXJVRRPSA-N 0 0 500.555 5.275 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000027549330 553833615 /nfs/dbraw/zinc/83/36/15/553833615.db2.gz LJBYFLGDSJRQBU-UCXLZHGVSA-N 0 0 508.669 5.984 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000027549419 553833757 /nfs/dbraw/zinc/83/37/57/553833757.db2.gz ZZHPDVBIEGQOOE-RRABYFSWSA-N 0 0 527.046 5.924 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000027549785 553834099 /nfs/dbraw/zinc/83/40/99/553834099.db2.gz WIXFFWBWRKFAPA-ITFAFNGDSA-N 0 0 513.019 5.534 50 10 KKCARN COc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000027549762 553834110 /nfs/dbraw/zinc/83/41/10/553834110.db2.gz YGVJBAAEGQNZOJ-HTIBICBSSA-N 0 0 512.591 5.129 50 10 KKCARN COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1 ZINC000027572653 553835242 /nfs/dbraw/zinc/83/52/42/553835242.db2.gz YYOANZZIVCCFGW-WPRPLIHDSA-N 0 0 511.603 5.847 50 10 KKCARN CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000028007119 553837342 /nfs/dbraw/zinc/83/73/42/553837342.db2.gz VHVPQPYKVGDNFY-MZPAXQNMSA-N 0 0 705.647 5.577 50 10 aggregator,investigational KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C ZINC000029492467 553845695 /nfs/dbraw/zinc/84/56/95/553845695.db2.gz HOKWTHZJPDDZDC-USHMODERSA-N 0 0 607.761 6.450 50 10 KKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000097957658 553847410 /nfs/dbraw/zinc/84/74/10/553847410.db2.gz SETVQTVOXZYWGL-BGDIREAQSA-N 0 0 645.228 8.697 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097957923 553849822 /nfs/dbraw/zinc/84/98/22/553849822.db2.gz XLHKEEIDDPKJEI-OTXDPCRLSA-N 0 0 574.747 7.040 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000097958095 553851077 /nfs/dbraw/zinc/85/10/77/553851077.db2.gz OLCXBNMAFMXLMW-IWIPYMOSSA-N 0 0 544.069 7.050 50 10 KKCARN N=C1/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000097958150 553851744 /nfs/dbraw/zinc/85/17/44/553851744.db2.gz CUTGJDUEAMIUCX-HIHLPPOPSA-N 0 0 523.017 6.740 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCCCOc3ccccc3)C2=N)S1 ZINC000097958655 553856465 /nfs/dbraw/zinc/85/64/65/553856465.db2.gz YJMAUHRVHJVPBE-FMWDNNMKSA-N 0 0 595.508 6.848 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(I)c1OCc1ccccc1 ZINC000097958662 553856901 /nfs/dbraw/zinc/85/69/01/553856901.db2.gz CMQNKKMIUWJZTG-DOELSWKASA-N 0 0 600.482 6.078 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C(C)(C)C)cc4)c(Cl)c3)C2=N)S1 ZINC000097958932 553859056 /nfs/dbraw/zinc/85/90/56/553859056.db2.gz QIOYHNKYFYLUJS-GSEBAEHPSA-N 0 0 559.519 7.168 50 10 KKCARN CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)cc1 ZINC000097958924 553859063 /nfs/dbraw/zinc/85/90/63/553859063.db2.gz ZWNBRWBMFFPSPE-UUBRPTPASA-N 0 0 574.728 6.786 50 10 KKCARN CC(C)(c1ccccc1)c1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)cc1 ZINC000097958983 553859352 /nfs/dbraw/zinc/85/93/52/553859352.db2.gz AUGLAMOXJJOQRJ-GOPZEXHASA-N 0 0 644.200 8.367 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097958956 553859382 /nfs/dbraw/zinc/85/93/82/553859382.db2.gz BCTQJOLPMLNTDM-UEKFQANFSA-N 0 0 552.161 8.103 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000097959049 553860008 /nfs/dbraw/zinc/86/00/08/553860008.db2.gz ZHZMIMOWUXTBQW-HNTIFMKSSA-N 0 0 581.481 6.669 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000097959022 553860026 /nfs/dbraw/zinc/86/00/26/553860026.db2.gz VAWHBVQSDNYYBF-ZHIXYLIPSA-N 0 0 557.470 5.725 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000097959088 553860633 /nfs/dbraw/zinc/86/06/33/553860633.db2.gz LNLHPNYNQZTDPA-XIROQAEMSA-N 0 0 540.645 5.713 50 10 KKCARN CCCCCCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000097959165 553861314 /nfs/dbraw/zinc/86/13/14/553861314.db2.gz MMCDKODOVSERQW-FGGGHNBDSA-N 0 0 574.625 6.457 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000097959424 553863645 /nfs/dbraw/zinc/86/36/45/553863645.db2.gz FWEZWBONQAIKGE-AABCQZNVSA-N 0 0 550.540 6.650 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000097959674 553865478 /nfs/dbraw/zinc/86/54/78/553865478.db2.gz QAKBYBKKMYADED-WYQLEPPDSA-N 0 0 584.141 5.498 50 10 KKCARN CCCOc1c(I)cc(Br)cc1C=C1C(=O)N(CCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O ZINC000097959960 553867450 /nfs/dbraw/zinc/86/74/50/553867450.db2.gz VHUVYTFDZZUOHO-UHFFFAOYSA-N 0 0 687.372 6.502 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097960177 553868874 /nfs/dbraw/zinc/86/88/74/553868874.db2.gz VQUCIRSXEFPRLI-PUCAPVPQSA-N 0 0 694.595 7.031 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000097960732 553873307 /nfs/dbraw/zinc/87/33/07/553873307.db2.gz GMEMRTOQEUXHKH-WFZKUWNUSA-N 0 0 614.724 6.373 50 10 KKCARN CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000097960909 553874011 /nfs/dbraw/zinc/87/40/11/553874011.db2.gz LBJPVNNCNGABIC-XQNSMLJCSA-N 0 0 548.495 6.950 50 10 KKCARN COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000097960874 553874021 /nfs/dbraw/zinc/87/40/21/553874021.db2.gz YFXZHSBRZSLDAW-CAOOACKPSA-N 0 0 658.113 7.929 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(I)c3)C2=O)cc1Br ZINC000097960939 553874402 /nfs/dbraw/zinc/87/44/02/553874402.db2.gz GQPXTKVQZFCNTG-PDGQHHTCSA-N 0 0 558.213 6.534 50 10 KKCARN CCCN1C(=O)/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000097960973 553874768 /nfs/dbraw/zinc/87/47/68/553874768.db2.gz GSFITPXKANLLSR-KOEQRZSOSA-N 0 0 562.522 7.259 50 10 KKCARN CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(C)cc1 ZINC000097961400 553877682 /nfs/dbraw/zinc/87/76/82/553877682.db2.gz JAIXEKBMBNKYLT-UHFFFAOYSA-N 0 0 624.737 5.268 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1Cl ZINC000097961841 553881205 /nfs/dbraw/zinc/88/12/05/553881205.db2.gz QUBNNYRKKIXVJX-FSJBWODESA-N 0 0 532.470 6.995 50 10 KKCARN O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(/N=N/c5ccccc5)cc3)C4=O)cc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000097961972 553881971 /nfs/dbraw/zinc/88/19/71/553881971.db2.gz KLKYJQGSLHSJDT-CHQNLTHESA-N 0 0 668.669 9.911 50 10 KKCARN N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000032964429 553882467 /nfs/dbraw/zinc/88/24/67/553882467.db2.gz FCESSAOOMJERIG-BXTFPGOLSA-N 0 0 500.584 5.221 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000097962204 553883552 /nfs/dbraw/zinc/88/35/52/553883552.db2.gz HOUCELNELVNSCH-SSDVNMTOSA-N 0 0 660.357 8.121 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000097962199 553883565 /nfs/dbraw/zinc/88/35/65/553883565.db2.gz GARRSMLONKIOTK-WSDLNYQXSA-N 0 0 529.014 5.911 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000097962201 553883603 /nfs/dbraw/zinc/88/36/03/553883603.db2.gz DVRUQNUAZQVYJT-SSDVNMTOSA-N 0 0 520.434 7.126 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC ZINC000097962231 553883886 /nfs/dbraw/zinc/88/38/86/553883886.db2.gz IHYVVVAQTZGROS-CAOOACKPSA-N 0 0 607.850 5.440 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1Cl ZINC000033040548 553893758 /nfs/dbraw/zinc/89/37/58/553893758.db2.gz DTBRJRRTHAYZAK-MUUNZHRXSA-N 0 0 531.125 7.583 50 10 KKCARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040553 553893773 /nfs/dbraw/zinc/89/37/73/553893773.db2.gz IDDMVSHGCPXHQT-LJAQVGFWSA-N 0 0 510.707 7.238 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccco1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051219 553896013 /nfs/dbraw/zinc/89/60/13/553896013.db2.gz MXAOXEANAGXAJV-NDEPHWFRSA-N 0 0 506.610 5.445 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000097964055 553896379 /nfs/dbraw/zinc/89/63/79/553896379.db2.gz GQJGLUXJKUWOKN-HQYUOWMTSA-N 0 0 526.618 5.923 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000097964126 553896531 /nfs/dbraw/zinc/89/65/31/553896531.db2.gz GXSPBUGSTRYIEE-NDENLUEZSA-N 0 0 535.590 6.791 50 10 KKCARN N=C1/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000097964363 553897459 /nfs/dbraw/zinc/89/74/59/553897459.db2.gz MCNAWMZRNZEMDI-KUJGPMQFSA-N 0 0 576.534 7.506 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097964338 553897466 /nfs/dbraw/zinc/89/74/66/553897466.db2.gz RJMAHCYUHWVJCE-ORZKGMIRSA-N 0 0 567.696 6.239 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1OC ZINC000097964910 553901578 /nfs/dbraw/zinc/90/15/78/553901578.db2.gz FUZDJQSTCXVTDS-JAXZZFFJSA-N 0 0 574.728 6.786 50 10 KKCARN COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)c1 ZINC000097964923 553901930 /nfs/dbraw/zinc/90/19/30/553901930.db2.gz FYMODKUIXNBTJE-PRKWUXEWSA-N 0 0 565.655 5.735 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097966217 553907654 /nfs/dbraw/zinc/90/76/54/553907654.db2.gz IDTKKIZFPRMEAY-HYARGMPZSA-N 0 0 637.542 5.777 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(OCCOc5ccc(Br)cc5)cc4)C3=N)S2)cc1 ZINC000097966233 553907665 /nfs/dbraw/zinc/90/76/65/553907665.db2.gz WLLFGRIVUYMSKR-ZICPAJISSA-N 0 0 561.461 5.883 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000097966288 553908098 /nfs/dbraw/zinc/90/80/98/553908098.db2.gz KJSDNOSFKLZQOJ-WXKAHTKJSA-N 0 0 759.666 6.210 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000097966290 553908140 /nfs/dbraw/zinc/90/81/40/553908140.db2.gz FAJOHXNBFSHIDI-UPWSPCOFSA-N 0 0 609.579 5.579 50 10 KKCARN CCCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2CC)c2cc(Br)ccc21 ZINC000097966396 553908644 /nfs/dbraw/zinc/90/86/44/553908644.db2.gz QAQLRRWJUDMCDL-VBKFSLOCSA-N 0 0 564.221 5.081 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1C)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266834 553917485 /nfs/dbraw/zinc/91/74/85/553917485.db2.gz ZYKRHJTUXWRUNU-PMERELPUSA-N 0 0 516.649 6.483 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccccc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266843 553917547 /nfs/dbraw/zinc/91/75/47/553917547.db2.gz WJNMHWZCUPJNBW-SSEXGKCCSA-N 0 0 516.649 5.852 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000033337458 553921539 /nfs/dbraw/zinc/92/15/39/553921539.db2.gz CWUCPCHJZPZUGU-ZVHZXABRSA-N 0 0 521.664 5.285 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000033352458 553922613 /nfs/dbraw/zinc/92/26/13/553922613.db2.gz FGDUZAQGHCUVHM-LFVJCYFKSA-N 0 0 501.633 6.323 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000033353392 553924793 /nfs/dbraw/zinc/92/47/93/553924793.db2.gz PIDUYHCIRUKOHX-MSXFZWOLSA-N 0 0 550.658 6.131 50 10 KKCARN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S)Nc1cccc(Cl)c1 ZINC000033353399 553925075 /nfs/dbraw/zinc/92/50/75/553925075.db2.gz BOMHGJABWQJFDH-QURGRASLSA-N 0 0 653.660 6.063 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCc3nnc(NC(=O)CCCN4C(=O)/C(=C/c5cccs5)SC4=S)s3)C2=O)cc1 ZINC000033354372 553929488 /nfs/dbraw/zinc/92/94/88/553929488.db2.gz GBFUCEHRLDBBEQ-SGAFJUGLSA-N 0 0 673.914 5.672 50 10 KKCARN O=C(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000033354642 553930470 /nfs/dbraw/zinc/93/04/70/553930470.db2.gz GEWXMHHGOFMDSI-UHFFFAOYSA-N 0 0 630.652 8.633 50 10 KKCARN Cc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097968896 553934944 /nfs/dbraw/zinc/93/49/44/553934944.db2.gz VKGBPIIUVQKXGT-CVMWMZFYSA-N 0 0 605.996 6.944 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccccc3F)C(=O)c3ccccc3[S@]4=O)CC2)cc1 ZINC000033356422 553941549 /nfs/dbraw/zinc/94/15/49/553941549.db2.gz JGMSNIZVCNWPQO-RWYGWLOXSA-N 0 0 569.658 5.124 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000033358538 553956559 /nfs/dbraw/zinc/95/65/59/553956559.db2.gz SRMLNZHRIAVODQ-JQTKYWOZSA-N 0 0 583.710 5.544 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000033358647 553957412 /nfs/dbraw/zinc/95/74/12/553957412.db2.gz YJZXFGXKFHHKDT-OFWBYEQRSA-N 0 0 559.753 7.602 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000033358690 553957416 /nfs/dbraw/zinc/95/74/16/553957416.db2.gz VLBMGZBKJBPIBL-NDENLUEZSA-N 0 0 554.828 5.935 50 10 KKCARN O=c1/c(=C\c2ccc(N3CCOCC3)cc2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000097970792 553958670 /nfs/dbraw/zinc/95/86/70/553958670.db2.gz AUGJJWXGRDOKQL-CJFQQIECSA-N 0 0 614.598 6.626 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033662661 553966790 /nfs/dbraw/zinc/96/67/90/553966790.db2.gz VCDWHGPNNYMFCP-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000033916837 553976651 /nfs/dbraw/zinc/97/66/51/553976651.db2.gz YGTIMUFKMXCGCI-ZONZVBGPSA-N 0 0 526.032 6.397 50 10 KKCARN COc1ccc(NC(=O)COC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2OC)cc1Cl ZINC000097979209 553977292 /nfs/dbraw/zinc/97/72/92/553977292.db2.gz TXXLSROHVLUADW-MYKKPKGFSA-N 0 0 667.083 6.343 50 10 KKCARN COc1cc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc(OC)c1OC ZINC000097979736 553981634 /nfs/dbraw/zinc/98/16/34/553981634.db2.gz MSMKRMXXIXIQQP-NLRVBDNBSA-N 0 0 616.714 7.503 50 10 KKCARN COc1cc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1OC ZINC000097979737 553981639 /nfs/dbraw/zinc/98/16/39/553981639.db2.gz IXIXEGZTCUTHSA-JJIBRWJFSA-N 0 0 620.677 7.334 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC[C@@H](C)COc1ccccc1 ZINC000034876606 554022890 /nfs/dbraw/zinc/02/28/90/554022890.db2.gz CVIMUOAWSBZZMP-SNJWARTGSA-N 0 0 525.630 6.093 50 10 KKCARN CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc21 ZINC000097986539 554024960 /nfs/dbraw/zinc/02/49/60/554024960.db2.gz OXILNOMEEPBUJA-UHFFFAOYSA-N 0 0 569.635 6.021 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3ccc(C)cc3N(C(=O)c3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097994472 554032045 /nfs/dbraw/zinc/03/20/45/554032045.db2.gz RDTWFJULKQQODO-UHFFFAOYSA-N 0 0 603.787 7.444 50 10 KKCARN CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000034930401 554033211 /nfs/dbraw/zinc/03/32/11/554033211.db2.gz AUUIZKKGRSHCNT-BKUYFWCQSA-N 0 0 515.498 5.862 50 10 KKCARN COc1ccc(N2CCN(c3nc4c(-c5cccc(C(F)(F)F)c5)nnn4c4ccc(Cl)cc43)CC2)cc1 ZINC000097999354 554042322 /nfs/dbraw/zinc/04/23/22/554042322.db2.gz MGIZIOMVYSFQEE-UHFFFAOYSA-N 0 0 538.961 5.952 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035387293 554047293 /nfs/dbraw/zinc/04/72/93/554047293.db2.gz BVSANMKORWGNLV-ZNZIZOMTSA-N 0 0 513.996 6.528 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)c3cccc(OC)c3)C(C)(C)C2=S)S1 ZINC000098000073 554048441 /nfs/dbraw/zinc/04/84/41/554048441.db2.gz LSCDURLQKXAUSM-UHFFFAOYSA-N 0 0 571.698 5.219 50 10 KKCARN Cc1ccc(Sc2c(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000098008408 554067520 /nfs/dbraw/zinc/06/75/20/554067520.db2.gz IJCWPPPCDZUYAM-UHFFFAOYSA-N 0 0 549.982 7.342 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035843261 554082038 /nfs/dbraw/zinc/08/20/38/554082038.db2.gz QMVAEMSLOIFJDS-JCYYIGJDSA-N 0 0 517.606 6.073 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(C)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000035851652 554083586 /nfs/dbraw/zinc/08/35/86/554083586.db2.gz QOPOXXZTYBJAGE-SSBOKUKZSA-N 0 0 519.641 6.442 50 10 KKCARN COc1ccc(N2CCN(c3cc(-c4ccccc4)nc(SCc4ccc(C(=O)NCc5ccc6c(c5)OCO6)cc4)n3)CC2)cc1 ZINC000098015077 554095563 /nfs/dbraw/zinc/09/55/63/554095563.db2.gz WZONWIZUOSRYGE-UHFFFAOYSA-N 0 0 645.785 6.430 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)c(C)c(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015316 554098153 /nfs/dbraw/zinc/09/81/53/554098153.db2.gz XEQUABMDETXFMP-MHZLTWQESA-N 0 0 603.789 5.136 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(N4CCN(c5ccc(OC)cc5)CC4)cc(C(C)(C)C)n3)c2)C1 ZINC000098015410 554099258 /nfs/dbraw/zinc/09/92/58/554099258.db2.gz OGLHOWKTLBZJJR-MHZLTWQESA-N 0 0 631.843 5.817 50 10 KKCARN Cc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000036006972 554131921 /nfs/dbraw/zinc/13/19/21/554131921.db2.gz UWWLAGMURWEMSR-WZCVYVFESA-N 0 0 518.708 5.448 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OCC)cc3)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098048248 554160743 /nfs/dbraw/zinc/16/07/43/554160743.db2.gz DYRTTWCXHKQMIH-UHFFFAOYSA-N 0 0 539.654 5.543 50 10 KKCARN CC(C)(C)c1ccc(Oc2c(N)c3c(c(N)c2Oc2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000098048377 554161629 /nfs/dbraw/zinc/16/16/29/554161629.db2.gz YEUKHDKLXPEMSG-UHFFFAOYSA-N 0 0 534.656 7.806 50 10 KKCARN CCn1c(/C=C/c2cn(Cc3ccccc3)c3ccccc23)nc2ccc(I)cc2c1=O ZINC000100023025 554182746 /nfs/dbraw/zinc/18/27/46/554182746.db2.gz VGPDBAAQFWSPMM-NTCAYCPXSA-N 0 0 531.397 6.194 50 10 KKCARN COc1ccc2[nH]cc(/C=C/c3nc4ccc(I)cc4c(=O)n3Cc3ccccc3)c2c1 ZINC000100023864 554183038 /nfs/dbraw/zinc/18/30/38/554183038.db2.gz XZMIRABPCNFXJA-KPKJPENVSA-N 0 0 533.369 5.710 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000100040845 554192134 /nfs/dbraw/zinc/19/21/34/554192134.db2.gz DVKHSXJEOVWDGM-QCOHSWCKSA-N 0 0 532.648 6.357 50 10 KKCARN CC(C)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100065897 554199844 /nfs/dbraw/zinc/19/98/44/554199844.db2.gz ACYMMAXHRSVVNF-HYARGMPZSA-N 0 0 525.457 6.777 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100071738 554201705 /nfs/dbraw/zinc/20/17/05/554201705.db2.gz TXANHAUYECSXJM-WSDLNYQXSA-N 0 0 519.541 6.838 50 10 KKCARN CC(NCCCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000100095522 554216190 /nfs/dbraw/zinc/21/61/90/554216190.db2.gz VHMVYKLVMPWFPD-GPAWKIAZSA-N 0 0 611.570 7.063 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)c3cccc([N+](=O)[O-])c3)C(C)(C)C2=S)S1 ZINC000100095945 554216667 /nfs/dbraw/zinc/21/66/67/554216667.db2.gz BWMRILIDTABPFS-UHFFFAOYSA-N 0 0 586.669 5.119 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000100101846 554219892 /nfs/dbraw/zinc/21/98/92/554219892.db2.gz IVIZSBOQXKIBCO-LFVJCYFKSA-N 0 0 602.466 6.982 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)Cc3cccs3)C(C)(C)C2=S)S1 ZINC000100116159 554223512 /nfs/dbraw/zinc/22/35/12/554223512.db2.gz LCLUZZAVLINHJB-UHFFFAOYSA-N 0 0 561.728 5.201 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000100122898 554224722 /nfs/dbraw/zinc/22/47/22/554224722.db2.gz JALCAPWFKXLALT-MBYGRGGXSA-N 0 0 543.443 5.335 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccc(OC)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000100144892 554230054 /nfs/dbraw/zinc/23/00/54/554230054.db2.gz QFUQXYAZNXYQSZ-KRUMMXJUSA-N 0 0 573.761 7.585 50 10 KKCARN CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000100147785 554230694 /nfs/dbraw/zinc/23/06/94/554230694.db2.gz HRNJJFXSKHMVNY-XKZIYDEJSA-N 0 0 540.255 6.905 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000037421864 554243130 /nfs/dbraw/zinc/24/31/30/554243130.db2.gz YNAVGNSNPSSEGY-FQEVSTJZSA-N 0 0 505.681 5.028 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2F)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037423056 554243474 /nfs/dbraw/zinc/24/34/74/554243474.db2.gz SRAGRIIEDLLLKV-UHFFFAOYSA-N 0 0 528.646 5.499 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Br)cc2)N1 ZINC000038141700 554265171 /nfs/dbraw/zinc/26/51/71/554265171.db2.gz KGFYWZORBYMPPZ-XXBNENTESA-N 0 0 530.216 5.868 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260447 554265587 /nfs/dbraw/zinc/26/55/87/554265587.db2.gz QOSGZZIKMMNUSG-UUYOSTAYSA-N 0 0 559.438 6.477 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000100267473 554267645 /nfs/dbraw/zinc/26/76/45/554267645.db2.gz GRJSIAYUCVSLJQ-DFOFNOETSA-N 0 0 539.657 6.464 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000100267624 554267932 /nfs/dbraw/zinc/26/79/32/554267932.db2.gz YIRXNOBIKXURMU-FBWGSYAESA-N 0 0 550.467 7.275 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccc(C)c(C)c1 ZINC000100269891 554268891 /nfs/dbraw/zinc/26/88/91/554268891.db2.gz OHUWRYSAOHGRHQ-JLPGSUDCSA-N 0 0 617.530 6.780 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000100270888 554269708 /nfs/dbraw/zinc/26/97/08/554269708.db2.gz ZLZHTRSJZYVMFR-KGENOOAVSA-N 0 0 518.576 5.058 50 10 KKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000100272811 554270340 /nfs/dbraw/zinc/27/03/40/554270340.db2.gz IIBJBWCRIBQNSL-WVQSZMOMSA-N 0 0 535.626 5.625 50 10 KKCARN CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000038206560 554274431 /nfs/dbraw/zinc/27/44/31/554274431.db2.gz LOWOBMMLURXPQU-LGUFXXKBSA-N 0 0 519.736 7.418 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(C)(C)C2=S)S1 ZINC000100278295 554276434 /nfs/dbraw/zinc/27/64/34/554276434.db2.gz UGIMHBXNCTZUFM-SDNWHVSQSA-N 0 0 596.708 5.818 50 10 KKCARN COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100299810 554290206 /nfs/dbraw/zinc/29/02/06/554290206.db2.gz IIFIPPGHMIFQTH-YQCVNYCESA-N 0 0 520.588 5.785 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1cccs1 ZINC000100300389 554290889 /nfs/dbraw/zinc/29/08/89/554290889.db2.gz KDRUJIHFVKUZLD-ODLFYWEKSA-N 0 0 521.563 6.401 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100306277 554294563 /nfs/dbraw/zinc/29/45/63/554294563.db2.gz GTBHPDHTPQANHK-VMCUCKNMSA-N 0 0 603.744 5.881 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1OC ZINC000100308614 554297253 /nfs/dbraw/zinc/29/72/53/554297253.db2.gz CNNBKPLNJFRFMI-XYGWBWBKSA-N 0 0 580.640 5.284 50 10 KKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2Br)N3)cc1C ZINC000043765334 554300055 /nfs/dbraw/zinc/30/00/55/554300055.db2.gz WQKNCDPGYRULND-SWYRRKHMSA-N 0 0 509.469 6.693 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000044086387 554300573 /nfs/dbraw/zinc/30/05/73/554300573.db2.gz VITVLUNNRKLGAU-UHFFFAOYSA-N 0 0 504.453 6.042 50 10 KKCARN Cc1nnc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccccc2)s1 ZINC000044086401 554300603 /nfs/dbraw/zinc/30/06/03/554300603.db2.gz OWADTQRLNYTZMU-UHFFFAOYSA-N 0 0 500.447 5.252 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000100319747 554304545 /nfs/dbraw/zinc/30/45/45/554304545.db2.gz ASFRRUZHZYOWHR-JMIUGGIZSA-N 0 0 579.800 7.515 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000100320706 554305163 /nfs/dbraw/zinc/30/51/63/554305163.db2.gz CJIGUGRSVHEOBQ-BRJLIKDPSA-N 0 0 615.108 6.657 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000100339148 554324052 /nfs/dbraw/zinc/32/40/52/554324052.db2.gz AKJWTLWXYLRSFS-WSDLNYQXSA-N 0 0 546.895 7.096 50 10 KKCARN CCOc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000049745275 554324847 /nfs/dbraw/zinc/32/48/47/554324847.db2.gz UDSPRHGTQNQBOH-UHFFFAOYSA-N 0 0 600.696 5.509 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(Br)cc1O ZINC000100340773 554325172 /nfs/dbraw/zinc/32/51/72/554325172.db2.gz YKLUUXBVSZJWGC-FRKPEAEDSA-N 0 0 515.248 5.722 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000100341222 554325781 /nfs/dbraw/zinc/32/57/81/554325781.db2.gz FUVWJHCHARZOOQ-JFLMPSFJSA-N 0 0 587.594 8.223 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000100341595 554326334 /nfs/dbraw/zinc/32/63/34/554326334.db2.gz LYLQIKBVDVKAFM-MZJWZYIUSA-N 0 0 571.595 8.441 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000100342462 554327523 /nfs/dbraw/zinc/32/75/23/554327523.db2.gz DVTRUNNHEUNWDA-WSDLNYQXSA-N 0 0 589.920 6.534 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)n1c(SCc2ccc(Cl)cc2)nc2ccccc21 ZINC000050861048 554327849 /nfs/dbraw/zinc/32/78/49/554327849.db2.gz KLNQALJAJAYFST-KGENOOAVSA-N 0 0 556.159 6.975 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1ccccc1 ZINC000100348811 554330939 /nfs/dbraw/zinc/33/09/39/554330939.db2.gz BKFXKBBBIWOSBE-UDWIEESQSA-N 0 0 545.520 5.952 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000100357790 554338467 /nfs/dbraw/zinc/33/84/67/554338467.db2.gz KGSRHHPJJVJYLF-VULFUBBASA-N 0 0 605.629 5.603 50 10 KKCARN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000100360490 554343053 /nfs/dbraw/zinc/34/30/53/554343053.db2.gz YLMCBGRDMNSKTD-LSHDLFTRSA-N 0 0 601.422 5.102 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(OC)c(OC)c3)N2)c1O ZINC000053362985 554345486 /nfs/dbraw/zinc/34/54/86/554345486.db2.gz NTFHJXWTYCUVSM-HFZDXXHNSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363115 554345859 /nfs/dbraw/zinc/34/58/59/554345859.db2.gz CWQWMEPNDBDINV-VWNXMTODSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1 ZINC000053363049 554345880 /nfs/dbraw/zinc/34/58/80/554345880.db2.gz ALZJEZFFBVWKGI-IRLDBZIGSA-N 0 0 504.197 6.279 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363214 554345874 /nfs/dbraw/zinc/34/58/74/554345874.db2.gz RHQBIZZVISSJJP-VWNXMTODSA-N 0 0 514.261 6.702 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000053363431 554345912 /nfs/dbraw/zinc/34/59/12/554345912.db2.gz JRHNXWLRPQAIFU-ZJSXRUAMSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363689 554346059 /nfs/dbraw/zinc/34/60/59/554346059.db2.gz JAKOTBZEDNFTNQ-IRLDBZIGSA-N 0 0 555.097 7.447 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363778 554346129 /nfs/dbraw/zinc/34/61/29/554346129.db2.gz XZACGKANWVRSPY-UNMCSNQZSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363888 554346161 /nfs/dbraw/zinc/34/61/61/554346161.db2.gz UGLRRYUSDNLOKW-IFMALSPDSA-N 0 0 555.097 7.447 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363879 554346206 /nfs/dbraw/zinc/34/62/06/554346206.db2.gz XZGKMKKOHIAXJV-IRLDBZIGSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363922 554346502 /nfs/dbraw/zinc/34/65/02/554346502.db2.gz QCEVUZMPGRDYOK-RXFWQSSRSA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364190 554346735 /nfs/dbraw/zinc/34/67/35/554346735.db2.gz ZTLNSIYGXLWTGL-ATIYNZHBSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364302 554346926 /nfs/dbraw/zinc/34/69/26/554346926.db2.gz PYUNEZIHCYKYNM-ISKFKSNPSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364387 554346994 /nfs/dbraw/zinc/34/69/94/554346994.db2.gz BAXUCGYUXLJKSF-ISKFKSNPSA-N 0 0 503.799 6.568 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364344 554346998 /nfs/dbraw/zinc/34/69/98/554346998.db2.gz QJKBWCLVOQPNDN-UPVQGACJSA-N 0 0 504.255 7.246 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3cc(Br)ccc3F)N2)c1O ZINC000053364755 554347289 /nfs/dbraw/zinc/34/72/89/554347289.db2.gz OMDBOONOQAZYJE-QPPBQGQZSA-N 0 0 548.250 6.678 50 10 KKCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000054209006 554349038 /nfs/dbraw/zinc/34/90/38/554349038.db2.gz YOHVQBHYPXMBRM-UHFFFAOYSA-N 0 0 505.492 7.095 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)(C)C2=S)S1 ZINC000100401708 554372607 /nfs/dbraw/zinc/37/26/07/554372607.db2.gz JPIVBQDBSQTYBG-UHFFFAOYSA-N 0 0 570.670 5.418 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100414180 554377931 /nfs/dbraw/zinc/37/79/31/554377931.db2.gz QETYVWJHHQUZBE-HBMCJLEFSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 ZINC000100414874 554379987 /nfs/dbraw/zinc/37/99/87/554379987.db2.gz PNMCHUFEKRJOPX-ZJOUEHCJSA-N 0 0 526.759 5.342 50 10 KKCARN O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100475307 554400668 /nfs/dbraw/zinc/40/06/68/554400668.db2.gz CIGZZCFEKHWIQK-KEBDBYFISA-N 0 0 547.492 6.720 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100533535 554411176 /nfs/dbraw/zinc/41/11/76/554411176.db2.gz XKVNODXOOMOKEA-UNDLXJOSSA-N 0 0 618.155 5.105 50 10 KKCARN CCC(=C\c1sc2ccc(NC(C)=O)cc2[n+]1CCCS(=O)(=O)[O-])/C=C1\Sc2ccc(OC)cc2N1CC ZINC000100557207 554416681 /nfs/dbraw/zinc/41/66/81/554416681.db2.gz DFIYIBCZCBKBDV-UHFFFAOYSA-O 0 0 574.770 5.701 50 10 KKCARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000059646078 554417130 /nfs/dbraw/zinc/41/71/30/554417130.db2.gz FHQRQLWLMLRAII-GGUMNFRJSA-N 0 0 550.305 7.383 50 10 KKCARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Br ZINC000100561976 554418387 /nfs/dbraw/zinc/41/83/87/554418387.db2.gz OIRXNTKCXNZFMD-OEAKJJBVSA-N 0 0 523.387 5.141 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000059796643 554430564 /nfs/dbraw/zinc/43/05/64/554430564.db2.gz WOQHZYYVDXERQM-BUVRLJJBSA-N 0 0 539.455 5.585 50 10 KKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000100599688 554431328 /nfs/dbraw/zinc/43/13/28/554431328.db2.gz GUHSHLNNWGKQNV-KEBDBYFISA-N 0 0 520.846 7.272 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000059824649 554431780 /nfs/dbraw/zinc/43/17/80/554431780.db2.gz IDXZNJGYGYWWIF-UHFFFAOYSA-N 0 0 559.662 5.349 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100642133 554436010 /nfs/dbraw/zinc/43/60/10/554436010.db2.gz SXHFQXSZWJKYQF-LPNYDJGQSA-N 0 0 585.524 6.458 50 10 KKCARN COc1ccc(CNC=C2C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1 ZINC000100641719 554436072 /nfs/dbraw/zinc/43/60/72/554436072.db2.gz SLVDSWBVGIWHQX-CJLVFECKSA-N 0 0 500.649 5.782 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000100642202 554436288 /nfs/dbraw/zinc/43/62/88/554436288.db2.gz WIGNLXADFCKGJW-MGKZEPQOSA-N 0 0 541.073 6.133 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100642201 554436304 /nfs/dbraw/zinc/43/63/04/554436304.db2.gz MDSYYIYSYKCFBH-OJNDBGNQSA-N 0 0 555.100 6.523 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc([C@H](C)CC)cc4)c(OCC)c3)C2=N)S1 ZINC000100656675 554437913 /nfs/dbraw/zinc/43/79/13/554437913.db2.gz NHAGZUWEQCPCAK-URFBOTSJSA-N 0 0 534.682 6.476 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)c(OCC)c3)C2=N)S1 ZINC000100656670 554437954 /nfs/dbraw/zinc/43/79/54/554437954.db2.gz NHAGZUWEQCPCAK-VXIQDOGLSA-N 0 0 534.682 6.476 50 10 KKCARN COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@@H](c2ccc(OC)cc2)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100660808 554438454 /nfs/dbraw/zinc/43/84/54/554438454.db2.gz ZTHOOAYERUKBKN-WDYNHAJCSA-N 0 0 520.581 6.158 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000100666671 554440187 /nfs/dbraw/zinc/44/01/87/554440187.db2.gz PSNZJGWBOIGAQG-GAABFIAHSA-N 0 0 546.571 5.766 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000100672951 554442046 /nfs/dbraw/zinc/44/20/46/554442046.db2.gz DVDLGZWJMBPVSZ-ZLVHZUDPSA-N 0 0 551.628 5.427 50 10 KKCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1=O ZINC000100683451 554448108 /nfs/dbraw/zinc/44/81/08/554448108.db2.gz PPRQZJBJVKXMOF-UCQKPKSFSA-N 0 0 539.103 6.769 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000100710464 554453327 /nfs/dbraw/zinc/45/33/27/554453327.db2.gz JTGMNKGXMRQSRN-WNUQXASFSA-N 0 0 526.618 5.437 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000100710440 554453332 /nfs/dbraw/zinc/45/33/32/554453332.db2.gz DNMWRJPZYXOOFE-SMIDNAKXSA-N 0 0 526.618 5.323 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100710557 554453506 /nfs/dbraw/zinc/45/35/06/554453506.db2.gz VXEYXDJWSDDBGW-DKTQLMGPSA-N 0 0 540.645 5.632 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4OC)c(OC)c3)C2=N)S1 ZINC000100710586 554453645 /nfs/dbraw/zinc/45/36/45/554453645.db2.gz PYLWPRFMZAFDTN-WQSRDYMISA-N 0 0 543.045 5.624 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000100711636 554453924 /nfs/dbraw/zinc/45/39/24/554453924.db2.gz JUCAFBGGCVVHKQ-NQDAVXOOSA-N 0 0 541.073 6.089 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 ZINC000100711734 554454065 /nfs/dbraw/zinc/45/40/65/554454065.db2.gz RJNUQQNQJVQRNK-WPPSSQEFSA-N 0 0 548.665 5.751 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000100711708 554454151 /nfs/dbraw/zinc/45/41/51/554454151.db2.gz QGQYYDWPCXZAFP-GDTLZWAQSA-N 0 0 547.464 6.125 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC ZINC000100711696 554454174 /nfs/dbraw/zinc/45/41/74/554454174.db2.gz WSMGWJYTXZWQBO-JPTHRKSPSA-N 0 0 546.571 5.848 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)SC1=S ZINC000100716584 554454859 /nfs/dbraw/zinc/45/48/59/554454859.db2.gz CDLYUXVWHJZPSL-BAOFRGFUSA-N 0 0 545.733 8.005 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC1=S ZINC000100740342 554462832 /nfs/dbraw/zinc/46/28/32/554462832.db2.gz IUESDLOAXIUEJW-PLRJNAJWSA-N 0 0 566.774 5.715 50 10 KKCARN COc1ccccc1OCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100745727 554464179 /nfs/dbraw/zinc/46/41/79/554464179.db2.gz QWAXCENPUHLFFA-HZHRSRAPSA-N 0 0 606.947 6.983 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)cc1 ZINC000100756087 554467115 /nfs/dbraw/zinc/46/71/15/554467115.db2.gz BWTWDAIKKYFIGN-HZONWBDVSA-N 0 0 547.790 8.136 50 10 KKCARN Cc1cc(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)ccc1Cl ZINC000100762940 554468789 /nfs/dbraw/zinc/46/87/89/554468789.db2.gz YAHNFURUHIZUTO-BWHOGBDCSA-N 0 0 539.060 6.986 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1OC ZINC000100781423 554472471 /nfs/dbraw/zinc/47/24/71/554472471.db2.gz SKWQTQAEELNGJX-SQAZEOOISA-N 0 0 527.602 5.466 50 10 KKCARN N=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100784101 554472552 /nfs/dbraw/zinc/47/25/52/554472552.db2.gz YKYZQCDMMJPWRF-OABSILKISA-N 0 0 525.033 6.678 50 10 KKCARN N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100792616 554473286 /nfs/dbraw/zinc/47/32/86/554473286.db2.gz ZYUOBUYRUBSDKZ-LECIVKJOSA-N 0 0 521.352 5.922 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000100792368 554473293 /nfs/dbraw/zinc/47/32/93/554473293.db2.gz BERLGSUIXDEKTR-ITYLOYPMSA-N 0 0 535.735 6.510 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000100793020 554473325 /nfs/dbraw/zinc/47/33/25/554473325.db2.gz DXKSAZQBDYHWDV-HFTWOUSFSA-N 0 0 539.726 7.162 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C ZINC000100793273 554473563 /nfs/dbraw/zinc/47/35/63/554473563.db2.gz MYRUFXRRKZOWKR-JTOVYYQDSA-N 0 0 544.721 6.352 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000100799666 554474504 /nfs/dbraw/zinc/47/45/04/554474504.db2.gz VZXFAHIYWORMBI-LNQWCPNTSA-N 0 0 526.574 5.877 50 10 KKCARN O=C(N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000100832904 554482853 /nfs/dbraw/zinc/48/28/53/554482853.db2.gz BJQZXUJQKBDZNV-ZLBRTXFESA-N 0 0 551.843 6.423 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100834102 554483139 /nfs/dbraw/zinc/48/31/39/554483139.db2.gz JIIQTZQTXIECIY-IWIPYMOSSA-N 0 0 602.650 5.026 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 ZINC000100837415 554484021 /nfs/dbraw/zinc/48/40/21/554484021.db2.gz MEJMRKCYSLDTTG-NVMPUMLXSA-N 0 0 584.745 8.213 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1C ZINC000100837097 554484067 /nfs/dbraw/zinc/48/40/67/554484067.db2.gz NCGJGRTUIGKWCF-LWVMSNLTSA-N 0 0 553.753 7.989 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838053 554485151 /nfs/dbraw/zinc/48/51/51/554485151.db2.gz GJWBIXPQIGWDPX-USHMODERSA-N 0 0 574.171 8.163 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838055 554485153 /nfs/dbraw/zinc/48/51/53/554485153.db2.gz WGQUOOAPJYSRAJ-ONUIUJJFSA-N 0 0 562.116 6.619 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838062 554485178 /nfs/dbraw/zinc/48/51/78/554485178.db2.gz HOABXMYRRUNEHX-IMRQLAEWSA-N 0 0 560.144 7.773 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(C)C ZINC000100838414 554485951 /nfs/dbraw/zinc/48/59/51/554485951.db2.gz DIHHJMHPKMPALM-XYUXXQEKSA-N 0 0 553.731 5.023 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1OCCC(C)C ZINC000100838584 554486213 /nfs/dbraw/zinc/48/62/13/554486213.db2.gz YKUHWQFUSUBHCG-XPRKOMQSSA-N 0 0 581.785 5.661 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C1CCCCC1 ZINC000100838958 554486693 /nfs/dbraw/zinc/48/66/93/554486693.db2.gz LUQJTTNIYGDOHI-CEUNXORHSA-N 0 0 569.727 7.791 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838934 554486721 /nfs/dbraw/zinc/48/67/21/554486721.db2.gz CETKGURYIXFLQO-USHMODERSA-N 0 0 590.170 7.400 50 10 KKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 ZINC000100838905 554486754 /nfs/dbraw/zinc/48/67/54/554486754.db2.gz WLIKRNXEIQVZKT-USHMODERSA-N 0 0 538.648 6.714 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1 ZINC000100839665 554487642 /nfs/dbraw/zinc/48/76/42/554487642.db2.gz PEGSZPYSFMELTP-QOMWVZHYSA-N 0 0 535.735 6.736 50 10 KKCARN O=C1/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000100840113 554488201 /nfs/dbraw/zinc/48/82/01/554488201.db2.gz SNUGMFTZCYJJLN-FCQUAONHSA-N 0 0 521.019 5.387 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(Cc4ccc(C)cc4)C3=O)SC2=S)cc1OC ZINC000100871079 554498362 /nfs/dbraw/zinc/49/83/62/554498362.db2.gz HJBLEUMAFGEUDP-QPLCGJKRSA-N 0 0 530.671 5.373 50 10 KKCARN CCOc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(Cc4ccc(C)cc4)C3=O)C2=O)cc1 ZINC000100871324 554499005 /nfs/dbraw/zinc/49/90/05/554499005.db2.gz MMLBNOLNQFXSQW-QPLCGJKRSA-N 0 0 543.670 5.151 50 10 KKCARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)C2=O)c(OC)c1 ZINC000100871643 554499598 /nfs/dbraw/zinc/49/95/98/554499598.db2.gz HCNWZOYZAPVUAL-ANVJHOAFSA-N 0 0 559.669 5.022 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)C2=O)cc1C ZINC000100872033 554500220 /nfs/dbraw/zinc/50/02/20/554500220.db2.gz JJLZYERZLFBSSU-QPLCGJKRSA-N 0 0 527.671 5.103 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccccc4Cl)C3=O)SC2=S)cc1 ZINC000100872080 554500571 /nfs/dbraw/zinc/50/05/71/554500571.db2.gz QYQCQKJUELYTFX-IZHYLOQSSA-N 0 0 564.088 5.148 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100872949 554501920 /nfs/dbraw/zinc/50/19/20/554501920.db2.gz XBARWIPNNBEBGX-OQTLSSFXSA-N 0 0 534.062 5.658 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000063732058 554510313 /nfs/dbraw/zinc/51/03/13/554510313.db2.gz ZVNKGXAHYQYQPI-ZJSXRUAMSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc4scc(-c5ccc(Cl)cc5)c4c(=O)n3-c3ccccc3)c2C)cc1 ZINC000100889026 554510278 /nfs/dbraw/zinc/51/02/78/554510278.db2.gz VMWXCPOGIVMHIN-UHFFFAOYSA-N 0 0 626.203 8.549 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)c2C)cc1 ZINC000100889756 554510956 /nfs/dbraw/zinc/51/09/56/554510956.db2.gz MOKFJPOKFTZFCS-UHFFFAOYSA-N 0 0 597.762 6.885 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 ZINC000100893202 554512831 /nfs/dbraw/zinc/51/28/31/554512831.db2.gz RSJJSQDWMZXYNN-DQRAZIAOSA-N 0 0 529.525 6.456 50 10 KKCARN O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1Cc1ccc(F)cc1 ZINC000100893446 554513260 /nfs/dbraw/zinc/51/32/60/554513260.db2.gz RBYPOVQFIUGWBL-DQRAZIAOSA-N 0 0 539.451 5.907 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl ZINC000100894148 554513443 /nfs/dbraw/zinc/51/34/43/554513443.db2.gz VOKDUFPKHLGYGW-XYGWBWBKSA-N 0 0 532.090 6.993 50 10 KKCARN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)c2ccccc2N1c1ccccc1 ZINC000100902891 554515041 /nfs/dbraw/zinc/51/50/41/554515041.db2.gz QZHPYUZSOZJYEJ-TURZUDJPSA-N 0 0 535.441 7.702 50 10 KKCARN O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2cc(Br)ccc21)N1CCCC1 ZINC000100902940 554515066 /nfs/dbraw/zinc/51/50/66/554515066.db2.gz DNIFDUYMNGRJIU-PCLIKHOPSA-N 0 0 526.434 6.245 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000100912105 554517930 /nfs/dbraw/zinc/51/79/30/554517930.db2.gz IRNMWEAMGGIWEC-YIKNKFAXSA-N 0 0 527.536 5.400 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000100921770 554521562 /nfs/dbraw/zinc/52/15/62/554521562.db2.gz PWHHUEUIIXSZFR-YTCPBCGMSA-N 0 0 526.548 5.911 50 10 KKCARN O=C(c1ccccc1)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)c1 ZINC000100936341 554530473 /nfs/dbraw/zinc/53/04/73/554530473.db2.gz YJTDTDVJLWUMAW-SANMLTNESA-N 0 0 546.464 8.051 50 10 KKCARN CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 ZINC000100944929 554533357 /nfs/dbraw/zinc/53/33/57/554533357.db2.gz WWWWWDSKWIZGDC-VLXLKOCRSA-N 0 0 532.025 5.423 50 10 KKCARN CCOC(=O)[C@@]1(C)C=C(Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100947136 554535197 /nfs/dbraw/zinc/53/51/97/554535197.db2.gz SUVXWYOTHSSELR-HHIVIYTISA-N 0 0 544.615 8.182 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000100948377 554536717 /nfs/dbraw/zinc/53/67/17/554536717.db2.gz CBMKQQCIRANCHZ-ZFHKLZHKSA-N 0 0 535.988 5.519 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)SC2=S)cc1 ZINC000100967630 554543402 /nfs/dbraw/zinc/54/34/02/554543402.db2.gz WHWJQSOAXSMADV-KSEXSDGBSA-N 0 0 550.916 7.636 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000100971217 554543634 /nfs/dbraw/zinc/54/36/34/554543634.db2.gz DZKWSKXFSAZSFJ-KWXIBIRDSA-N 0 0 532.577 5.973 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000100970503 554543667 /nfs/dbraw/zinc/54/36/67/554543667.db2.gz STPRZDKAIOEILG-SSBOKUKZSA-N 0 0 544.538 6.050 50 10 KKCARN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000101057257 554569751 /nfs/dbraw/zinc/56/97/51/554569751.db2.gz BWYARASZNJWVPY-UQQQWYQISA-N 0 0 588.845 7.424 50 10 KKCARN COc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101058190 554569938 /nfs/dbraw/zinc/56/99/38/554569938.db2.gz IEKQKZZGXFDWAA-XAEBNIDXSA-N 0 0 536.628 5.292 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101071294 554575474 /nfs/dbraw/zinc/57/54/74/554575474.db2.gz AEIFFVWUMNZPBH-ULNSLHSMSA-N 0 0 605.444 6.674 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101073527 554576758 /nfs/dbraw/zinc/57/67/58/554576758.db2.gz IXRJLJURFXLQJX-ACRUOGEOSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000101073506 554576778 /nfs/dbraw/zinc/57/67/78/554576778.db2.gz JEPXPRJDPOFPTK-RNAHPLFWSA-N 0 0 608.400 6.096 50 10 KKCARN O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000101077491 554578038 /nfs/dbraw/zinc/57/80/38/554578038.db2.gz BYLVGGRAQXWULO-JCMHNJIXSA-N 0 0 539.411 5.410 50 10 KKCARN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccs1 ZINC000101093413 554583538 /nfs/dbraw/zinc/58/35/38/554583538.db2.gz KDKOYOXUBDNBJU-UHFFFAOYSA-N 0 0 554.649 6.114 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccc(Cl)cc5Cl)o4)S3)CC2)cc1Cl ZINC000101108281 554640764 /nfs/dbraw/zinc/64/07/64/554640764.db2.gz ZKHHNXVCYWQNAN-OEAKJJBVSA-N 0 0 532.880 7.008 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl 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COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1Br ZINC000101129971 554649159 /nfs/dbraw/zinc/64/91/59/554649159.db2.gz ONXFNUXURFZHFO-CIAFOILYSA-N 0 0 528.497 6.168 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000101136825 554651648 /nfs/dbraw/zinc/65/16/48/554651648.db2.gz SVTOWKUKWKAKSV-OYUWMTPXSA-N 0 0 549.966 5.827 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101138071 554652012 /nfs/dbraw/zinc/65/20/12/554652012.db2.gz QRDDBMZUTLTAFT-TZRRMPRUSA-N 0 0 530.418 6.091 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101151507 554657522 /nfs/dbraw/zinc/65/75/22/554657522.db2.gz GDLYATLKQXQMIE-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101159601 554659272 /nfs/dbraw/zinc/65/92/72/554659272.db2.gz GIWHFOAGGSDEJP-OIFRRMEBSA-N 0 0 540.575 5.323 50 10 KKCARN N=C1/C(=C/c2ccc(OC(=O)c3ccccc3Cl)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101164996 554660799 /nfs/dbraw/zinc/66/07/99/554660799.db2.gz ISFBVPUGHMSDPB-LYEFFDOLSA-N 0 0 522.373 5.275 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000101203775 554673904 /nfs/dbraw/zinc/67/39/04/554673904.db2.gz BGTQGMOKLKZHLT-OIFRRMEBSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc(N2CCN(c3cc(Nc4ccc5c(c4)OCCO5)c4c5c3noc5-c3ccccc3C4=O)CC2)cc1 ZINC000101217716 554685011 /nfs/dbraw/zinc/68/50/11/554685011.db2.gz FFAAUPWVDQRMRK-UHFFFAOYSA-N 0 0 560.610 5.889 50 10 KKCARN COC(=O)c1ccc(Nc2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000101217944 554685097 /nfs/dbraw/zinc/68/50/97/554685097.db2.gz IRCJUGFIVWXTGP-UHFFFAOYSA-N 0 0 609.082 6.424 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000101226031 554688709 /nfs/dbraw/zinc/68/87/09/554688709.db2.gz CGTUUWWRDVLRSP-WPRSEWFZSA-N 0 0 536.723 5.258 50 10 KKCARN CC(C)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101227634 554688989 /nfs/dbraw/zinc/68/89/89/554688989.db2.gz BHEZKUWTSSDWSK-YKILCQELSA-N 0 0 541.622 7.265 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101231476 554689461 /nfs/dbraw/zinc/68/94/61/554689461.db2.gz HBRVUEJATAXEFU-YTCPBCGMSA-N 0 0 533.986 6.795 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000101233445 554689976 /nfs/dbraw/zinc/68/99/76/554689976.db2.gz OSJQKAJNMNUQNF-YTCPBCGMSA-N 0 0 533.986 6.795 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101245639 554693576 /nfs/dbraw/zinc/69/35/76/554693576.db2.gz QWFNRALNNYFDQR-SSBOKUKZSA-N 0 0 533.986 6.795 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000101247563 554693830 /nfs/dbraw/zinc/69/38/30/554693830.db2.gz XQOBKQAMYHMHKR-OIFRRMEBSA-N 0 0 548.013 7.104 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000101255351 554696522 /nfs/dbraw/zinc/69/65/22/554696522.db2.gz INPHXGDXGLSKBG-YTCPBCGMSA-N 0 0 533.986 6.795 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] ZINC000101262607 554697429 /nfs/dbraw/zinc/69/74/29/554697429.db2.gz NJIUJDXMAITECR-PMXXPJJVSA-N 0 0 546.992 6.140 50 10 KKCARN CC(C)Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101269959 554700524 /nfs/dbraw/zinc/70/05/24/554700524.db2.gz RUALUVPOIQOUAP-XKKJXBDVSA-N 0 0 537.659 7.201 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101277085 554703465 /nfs/dbraw/zinc/70/34/65/554703465.db2.gz ZZVRECWYHMRIAD-YTCPBCGMSA-N 0 0 533.986 6.795 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000101343174 554736097 /nfs/dbraw/zinc/73/60/97/554736097.db2.gz PXRCVVHOVNZSKH-OCBJUFRSSA-N 0 0 531.558 6.590 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000101342770 554736187 /nfs/dbraw/zinc/73/61/87/554736187.db2.gz NVJDQTLOFNBRNJ-KCHLEUMXSA-N 0 0 534.974 6.190 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101343671 554736292 /nfs/dbraw/zinc/73/62/92/554736292.db2.gz MXEBNCVMLMPSDK-NLDZOOGBSA-N 0 0 533.986 6.795 50 10 KKCARN Cc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101344883 554737124 /nfs/dbraw/zinc/73/71/24/554737124.db2.gz JPBKODLTWNNMOK-IDZRBWSNSA-N 0 0 548.013 7.104 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101344754 554737142 /nfs/dbraw/zinc/73/71/42/554737142.db2.gz QWFNRALNNYFDQR-ULNSLHSMSA-N 0 0 533.986 6.795 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)CCc4ccccc4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356403 554739989 /nfs/dbraw/zinc/73/99/89/554739989.db2.gz OOBDHVQNELRULP-AREMUKBSSA-N 0 0 598.769 5.633 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000101356377 554740003 /nfs/dbraw/zinc/74/00/03/554740003.db2.gz RWJROVQDLATKNO-QHCPKHFHSA-N 0 0 605.160 5.967 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101358909 554741507 /nfs/dbraw/zinc/74/15/07/554741507.db2.gz LIOLRMTZDSOFSK-PKTNWEFCSA-N 0 0 534.974 6.190 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1 ZINC000101397697 554758961 /nfs/dbraw/zinc/75/89/61/554758961.db2.gz PPXQJFPOLNLQRW-GBAQIOGOSA-N 0 0 560.075 6.891 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)ccc3N(C(=O)C(F)(F)F)C(C)(C)C2=S)S1 ZINC000101432545 554770986 /nfs/dbraw/zinc/77/09/86/554770986.db2.gz YCABWCLNWAWUFX-PTGBLXJZSA-N 0 0 549.661 7.133 50 10 KKCARN COc1ccccc1N1CCN(c2cc(Nc3cc(C)ccc3C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000101432529 554770999 /nfs/dbraw/zinc/77/09/99/554770999.db2.gz WMYNQVMXKQSBSH-UHFFFAOYSA-N 0 0 530.628 6.735 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000101481947 554784372 /nfs/dbraw/zinc/78/43/72/554784372.db2.gz YUFLAILITWSYGG-PCCBWWKXSA-N 0 0 570.317 5.163 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc(C(C)(C)C)cc4)c(OCC)c3)C2=N)S1 ZINC000101492484 554786265 /nfs/dbraw/zinc/78/62/65/554786265.db2.gz XORRELNCFBOXNG-UWUSAIRYSA-N 0 0 613.578 7.022 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000101496034 554786885 /nfs/dbraw/zinc/78/68/85/554786885.db2.gz ZZCGHAGJNOFLAI-LEKDORSPSA-N 0 0 615.336 7.648 50 10 KKCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000101513620 554793382 /nfs/dbraw/zinc/79/33/82/554793382.db2.gz JTQJUGTWCMIZKT-UHFFFAOYSA-N 0 0 584.138 5.965 50 10 KKCARN COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000101545151 554795923 /nfs/dbraw/zinc/79/59/23/554795923.db2.gz PGSMPGVNQPMBRO-MUUNZHRXSA-N 0 0 547.124 7.283 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590421 554802834 /nfs/dbraw/zinc/80/28/34/554802834.db2.gz MBCLLPFLPMTNMW-AYQJTBPPSA-N 0 0 539.587 5.928 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101670760 554824174 /nfs/dbraw/zinc/82/41/74/554824174.db2.gz QRUFAXIIHOEYMN-KWXIBIRDSA-N 0 0 551.639 5.761 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101670816 554824220 /nfs/dbraw/zinc/82/42/20/554824220.db2.gz NVUZOETXXCYRCX-OWHBQTKESA-N 0 0 555.630 6.329 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000101670939 554824446 /nfs/dbraw/zinc/82/44/46/554824446.db2.gz ZCQWMYDMTMWCKJ-OWHBQTKESA-N 0 0 555.630 6.329 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101671584 554825162 /nfs/dbraw/zinc/82/51/62/554825162.db2.gz AEIFFVWUMNZPBH-YTCPBCGMSA-N 0 0 605.444 6.674 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101672745 554826342 /nfs/dbraw/zinc/82/63/42/554826342.db2.gz KOOKTAXLQWADJT-PUPDPRJKSA-N 0 0 597.711 7.219 50 10 KKCARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000101672927 554826527 /nfs/dbraw/zinc/82/65/27/554826527.db2.gz KINUZBJFTFGRCD-OIFRRMEBSA-N 0 0 574.474 7.074 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccccc1 ZINC000101759864 554836650 /nfs/dbraw/zinc/83/66/50/554836650.db2.gz QGCBXNLGDUCARV-ROJLCIKYSA-N 0 0 559.621 6.915 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101776825 554837891 /nfs/dbraw/zinc/83/78/91/554837891.db2.gz LJFQUZNJAGWFHT-UHFFFAOYSA-N 0 0 553.508 6.385 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)CC(C)C ZINC000101809473 554839435 /nfs/dbraw/zinc/83/94/35/554839435.db2.gz DWOARNVDADVCJJ-IBGZPJMESA-N 0 0 543.557 6.781 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101809329 554839510 /nfs/dbraw/zinc/83/95/10/554839510.db2.gz ZFHKOIMZYITLDK-DEOSSOPVSA-N 0 0 570.674 5.873 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)CC(C)C ZINC000101809470 554839514 /nfs/dbraw/zinc/83/95/14/554839514.db2.gz DWOARNVDADVCJJ-LJQANCHMSA-N 0 0 543.557 6.781 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccs2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101839267 554842323 /nfs/dbraw/zinc/84/23/23/554842323.db2.gz HFIIDDZZLVBUIG-UHFFFAOYSA-N 0 0 569.576 6.967 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101839318 554842490 /nfs/dbraw/zinc/84/24/90/554842490.db2.gz YMYFNAQPSUTWLC-UHFFFAOYSA-N 0 0 541.541 6.392 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101839305 554842577 /nfs/dbraw/zinc/84/25/77/554842577.db2.gz XDHHMOMOIBYIRP-UHFFFAOYSA-N 0 0 597.099 7.271 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101911110 554849709 /nfs/dbraw/zinc/84/97/09/554849709.db2.gz CIYBSXPWUGYAHK-HSZRJFAPSA-N 0 0 571.662 5.418 50 10 KKCARN O=C(C(=NNc1ccc(Cl)cc1Cl)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000102264963 554905447 /nfs/dbraw/zinc/90/54/47/554905447.db2.gz MUWHGKOPNNAAAD-HTHZRAQTSA-N 0 0 548.249 8.566 50 10 KKCARN 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COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103547036 555441329 /nfs/dbraw/zinc/44/13/29/555441329.db2.gz YDTAWHYCKXEPTF-OLUZHXLYSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000103551261 555443679 /nfs/dbraw/zinc/44/36/79/555443679.db2.gz IBCXAROBBTZHKX-ZDCRTTOTSA-N 0 0 585.656 6.337 50 10 KKCARN O=C(Nc1ccccc1)c1c(O)c(/N=N\c2ccc3c(c2)sc2sc4ccccc4c32)cc2ccccc21 ZINC000103555478 555445839 /nfs/dbraw/zinc/44/58/39/555445839.db2.gz FXGTVFXQRMXQCT-YHZPTAEISA-N 0 0 529.646 9.796 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000103557250 555446902 /nfs/dbraw/zinc/44/69/02/555446902.db2.gz LISIWFDMJWZKNI-IUAQSZDVSA-N 0 0 551.429 6.799 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1O)N1c3ccccc3N=C(Nc3cc(C)cc(C)c3)C1=N2 ZINC000103558412 555447244 /nfs/dbraw/zinc/44/72/44/555447244.db2.gz 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Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C2/C(=C\c3ccc(N(C)C)cc3)CCC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000111056450 571431831 /nfs/dbraw/zinc/43/18/31/571431831.db2.gz FBRXBANJMIRPCT-RUGROEDQSA-N 0 0 564.656 6.166 50 10 KKCARN O=C(Nc1ccccc1)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 ZINC000113560540 571440039 /nfs/dbraw/zinc/44/00/39/571440039.db2.gz INOQEQRDGUIJPF-XKHIVHIHSA-N 0 0 521.602 7.170 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000113626518 571441482 /nfs/dbraw/zinc/44/14/82/571441482.db2.gz WSODCBUOEMJFRG-HXUWFJFHSA-N 0 0 554.064 5.996 50 10 KKCARN O=C1C[C@@H](Sc2ccc(NC(=S)Nc3ccccc3)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000113627526 571441628 /nfs/dbraw/zinc/44/16/28/571441628.db2.gz JRMMMYBEXWHAHX-XKHIVHIHSA-N 0 0 537.670 7.335 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000113627879 571441643 /nfs/dbraw/zinc/44/16/43/571441643.db2.gz KCZWJXISRJAXSK-JOCHJYFZSA-N 0 0 533.646 5.651 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000113628399 571441726 /nfs/dbraw/zinc/44/17/26/571441726.db2.gz SUQXFKWGHLKMSC-FQEVSTJZSA-N 0 0 549.645 5.351 50 10 KKCARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000136131270 571449158 /nfs/dbraw/zinc/44/91/58/571449158.db2.gz SWBPFEITFKORFY-CCDWMCETSA-N 0 0 515.363 5.359 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1I ZINC000150344499 571459380 /nfs/dbraw/zinc/45/93/80/571459380.db2.gz QERCGEBTNPRBPI-XKZIYDEJSA-N 0 0 621.905 6.968 50 10 KKCARN Cn1c(C2=C(c3cn(CCCNC(=O)c4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)c4ccccc34)C(=O)NC2=O)cc2ccccc21 ZINC000150345984 571460277 /nfs/dbraw/zinc/46/02/77/571460277.db2.gz WZJAWTNAOLZZOO-UHFFFAOYSA-N 0 0 756.771 6.500 50 10 KKCARN Cc1ccc(C)n1-c1c(Cl)cc(Cl)cc1C(=O)O[C@H](C)c1c(C)ccc(C)c1-c1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1 ZINC000150346725 571460600 /nfs/dbraw/zinc/46/06/00/571460600.db2.gz QMCMGZMPMFBRBQ-LJQANCHMSA-N 0 0 628.383 9.751 50 10 KKCARN COc1cc(NC(=O)[C@H](N=Nc2ccc(-c3ccc(N=N[C@@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348893 571461324 /nfs/dbraw/zinc/46/13/24/571461324.db2.gz CTCGHGAGCLXAHB-BPKFHIIDSA-N 0 0 752.055 9.308 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150364236 571464456 /nfs/dbraw/zinc/46/44/56/571464456.db2.gz DCGOCNUUHHYXJM-WUGQJGQESA-N 0 0 718.673 7.267 50 10 KKCARN CCCC[C@@H](CC)CN1c2cc(Br)ccc2/C(=C2\c3ccc(Br)cc3N(C[C@H](CC)CCCC)C2=O)C1=O ZINC000150386790 571469535 /nfs/dbraw/zinc/46/95/35/571469535.db2.gz HUEXOUHCCSVYLP-HBXZAJLRSA-N 0 0 644.492 9.248 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000150390411 571472761 /nfs/dbraw/zinc/47/27/61/571472761.db2.gz LVBWFJXCOVLHNK-LPYMAVHISA-N 0 0 623.921 6.947 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1OC ZINC000150400834 571478070 /nfs/dbraw/zinc/47/80/70/571478070.db2.gz NZPBMDJNEQFCTK-HWIUFGAZSA-N 0 0 668.240 8.233 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150407142 571480035 /nfs/dbraw/zinc/48/00/35/571480035.db2.gz CVXIKLGZMTZLGT-IMMOAUGXSA-N 0 0 647.797 5.995 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1c(Br)cc(Br)cc1Br ZINC000150408435 571480669 /nfs/dbraw/zinc/48/06/69/571480669.db2.gz XLASNIALZWPBIH-LFIBNONCSA-N 0 0 653.281 7.436 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000150454749 571504212 /nfs/dbraw/zinc/50/42/12/571504212.db2.gz XAUDPGICOPOHPG-SSBOKUKZSA-N 0 0 639.343 7.528 50 10 KKCARN CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4ccc(C(=O)OCC)cc4)C3=O)SC2=S)cc1 ZINC000150470032 571509211 /nfs/dbraw/zinc/50/92/11/571509211.db2.gz CCDOKYSFYPWXHB-QVIHXGFCSA-N 0 0 785.004 6.670 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000150471509 571509578 /nfs/dbraw/zinc/50/95/78/571509578.db2.gz OMIVEYDFWRGJMD-UHFFFAOYSA-N 0 0 650.147 9.169 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CC[C@H](C)C5)c2C)c1 ZINC000150473905 571510336 /nfs/dbraw/zinc/51/03/36/571510336.db2.gz WZMIVLLMDUIROG-IBGZPJMESA-N 0 0 655.798 6.528 50 10 KKCARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)c2)cc1 ZINC000150482364 571513121 /nfs/dbraw/zinc/51/31/21/571513121.db2.gz HPXXXYRBHDDAPI-WGCGNFSBSA-N 0 0 650.713 6.680 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(I)cc3)SC2=S)cc1OC ZINC000150542218 571520584 /nfs/dbraw/zinc/52/05/84/571520584.db2.gz FLEUMCWKWMKUCP-YZSQISJMSA-N 0 0 653.567 6.605 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(CCc3nnc(NC(=O)CCCN4C(=O)/C(=C/c5cccs5)SC4=S)s3)C2=O)cc1 ZINC000150556060 571520960 /nfs/dbraw/zinc/52/09/60/571520960.db2.gz GBFUCEHRLDBBEQ-WOBBTWAASA-N 0 0 673.914 5.672 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000150612301 571522996 /nfs/dbraw/zinc/52/29/96/571522996.db2.gz XMCQVQUBKNFSOM-CMILQILXSA-N 0 0 636.409 8.005 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4ccccc4F)[C@@H]3C2)cc1 ZINC000169679076 571556354 /nfs/dbraw/zinc/55/63/54/571556354.db2.gz VCWOCSYDBHJIDG-BVAGGSTKSA-N 0 0 513.535 5.037 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1C(F)(F)F)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169684220 571558232 /nfs/dbraw/zinc/55/82/32/571558232.db2.gz ZWLPHQWKKCSQQB-HBMCJLEFSA-N 0 0 525.866 5.054 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000207656012 571573288 /nfs/dbraw/zinc/57/32/88/571573288.db2.gz WHFSAJMAXOLADR-MJZABRMRSA-N 0 0 608.561 5.112 50 10 KKCARN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)c(N)c3cc2C1 ZINC000215748017 571585857 /nfs/dbraw/zinc/58/58/57/571585857.db2.gz BMMGFJZAHFSNLK-SFHVURJKSA-N 0 0 506.672 5.883 50 10 KKCARN COc1cccc(-c2ccc3c(N)c(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)sc3n2)c1 ZINC000215745770 571585887 /nfs/dbraw/zinc/58/58/87/571585887.db2.gz LMYYLHAFTCZDDM-UHFFFAOYSA-N 0 0 502.596 5.407 50 10 KKCARN Cc1ccc(N2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H](c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000226340248 572136387 /nfs/dbraw/zinc/13/63/87/572136387.db2.gz GFOWAEMFYLXLQZ-SAIUNTKASA-N 0 0 573.648 7.224 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000227016383 572146995 /nfs/dbraw/zinc/14/69/95/572146995.db2.gz JJWHMQLXDSNJRH-OIFRRMEBSA-N 0 0 564.468 7.618 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227029331 572148308 /nfs/dbraw/zinc/14/83/08/572148308.db2.gz QAWFPNSXOFUKCF-ZDCRTTOTSA-N 0 0 571.648 7.274 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227084752 572149773 /nfs/dbraw/zinc/14/97/73/572149773.db2.gz VBKDRVPWWJTYBC-AWCRTANDSA-N 0 0 594.892 7.419 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227237035 572151745 /nfs/dbraw/zinc/15/17/45/572151745.db2.gz YABKFNNYPOYVOH-JBOQNHBVSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000227234195 572151781 /nfs/dbraw/zinc/15/17/81/572151781.db2.gz JIHZXFZUKLWBIK-DTXPUJKBSA-N 0 0 590.473 6.774 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000227234668 572151844 /nfs/dbraw/zinc/15/18/44/572151844.db2.gz WXJRMTAAGUWUDF-CPCREDONSA-N 0 0 571.629 6.029 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229590325 572154405 /nfs/dbraw/zinc/15/44/05/572154405.db2.gz XRSTWELRHFXRQE-PKTNWEFCSA-N 0 0 576.996 5.809 50 10 KKCARN CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000229638801 572158172 /nfs/dbraw/zinc/15/81/72/572158172.db2.gz NLHCVMVLPUXLBR-VJGNERBWSA-N 0 0 510.977 5.321 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229666823 572159430 /nfs/dbraw/zinc/15/94/30/572159430.db2.gz OJTGUMHOECYUAW-SDHOMARFSA-N 0 0 507.546 5.132 50 10 KKCARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229861461 572161925 /nfs/dbraw/zinc/16/19/25/572161925.db2.gz MSSKZRDFBNMVOH-SDHOMARFSA-N 0 0 557.444 5.713 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229862458 572162037 /nfs/dbraw/zinc/16/20/37/572162037.db2.gz LISIWFDMJWZKNI-YCVJPRETSA-N 0 0 551.429 6.799 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229869617 572162957 /nfs/dbraw/zinc/16/29/57/572162957.db2.gz ABBLFZZLCXZEJX-NHKHRBQYSA-N 0 0 595.438 7.218 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229866869 572163274 /nfs/dbraw/zinc/16/32/74/572163274.db2.gz GNHRCODOBKECND-AWCRTANDSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229867669 572163351 /nfs/dbraw/zinc/16/33/51/572163351.db2.gz CSGHYCRDAPNTCT-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229892085 572165644 /nfs/dbraw/zinc/16/56/44/572165644.db2.gz MQMLLOQHGVVIBT-OJDZSJEKSA-N 0 0 576.048 6.674 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000229892489 572166164 /nfs/dbraw/zinc/16/61/64/572166164.db2.gz QWFNRALNNYFDQR-NHKHRBQYSA-N 0 0 533.986 6.795 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000229898034 572166809 /nfs/dbraw/zinc/16/68/09/572166809.db2.gz VYKDXBQNMOASHM-HPUNYJORSA-N 0 0 561.981 6.053 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229899155 572167285 /nfs/dbraw/zinc/16/72/85/572167285.db2.gz IAOPOOMGGNJBHE-OJDZSJEKSA-N 0 0 576.048 6.674 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000229899385 572167560 /nfs/dbraw/zinc/16/75/60/572167560.db2.gz PXRCVVHOVNZSKH-DTXPUJKBSA-N 0 0 531.558 6.590 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229903193 572168062 /nfs/dbraw/zinc/16/80/62/572168062.db2.gz FOOAXAGGNVZUDV-FRXPANAUSA-N 0 0 564.106 7.841 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229903942 572168127 /nfs/dbraw/zinc/16/81/27/572168127.db2.gz VLOVLBXJHQXPEU-GMTSZFNJSA-N 0 0 567.685 7.210 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229908061 572168474 /nfs/dbraw/zinc/16/84/74/572168474.db2.gz YBJZIGQMHHUFBO-OJDZSJEKSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229909198 572168514 /nfs/dbraw/zinc/16/85/14/572168514.db2.gz NZVAGZHYYLOOGZ-JBOQNHBVSA-N 0 0 586.600 5.928 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(C)cc2)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229914878 572168982 /nfs/dbraw/zinc/16/89/82/572168982.db2.gz HUPYRHCTPJHXFZ-OWHBQTKESA-N 0 0 557.621 6.849 50 10 KKCARN COc1cc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229915877 572169100 /nfs/dbraw/zinc/16/91/00/572169100.db2.gz DKXOUUMGFBGWDC-NHKHRBQYSA-N 0 0 577.658 6.090 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229918288 572169565 /nfs/dbraw/zinc/16/95/65/572169565.db2.gz WYAISEWCHVUIQY-YPKYBTACSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229921964 572169665 /nfs/dbraw/zinc/16/96/65/572169665.db2.gz YTNBWOUSBKXNFJ-IARZGTGTSA-N 0 0 556.058 6.406 50 10 KKCARN CCCCCc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229934718 572171096 /nfs/dbraw/zinc/17/10/96/572171096.db2.gz QDRHTFDQEJVLLQ-GLZHTZPGSA-N 0 0 576.737 7.016 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229935994 572171233 /nfs/dbraw/zinc/17/12/33/572171233.db2.gz HVBKQLODOMMVSY-JBOQNHBVSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229935103 572171309 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GRVQDRSPOOYUNP-OAQYLSRUSA-N 0 0 519.619 5.342 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S ZINC000013619055 553478158 /nfs/dbraw/zinc/47/81/58/553478158.db2.gz FREYWWNBTMNLGD-XYGWBWBKSA-N 0 0 521.708 6.120 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000013647655 553480227 /nfs/dbraw/zinc/48/02/27/553480227.db2.gz HMNSANQMTRQMCX-IYAOUMFBSA-N 0 0 504.681 5.139 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 ZINC000013714615 553486346 /nfs/dbraw/zinc/48/63/46/553486346.db2.gz FBXQAOFCXNBVPM-ULJHMMPZSA-N 0 0 505.734 7.185 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1ccccc1 ZINC000013748750 553487574 /nfs/dbraw/zinc/48/75/74/553487574.db2.gz PGYYGDAHXAEUJN-XIFKCTFISA-N 0 0 518.620 5.272 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013751989 553488117 /nfs/dbraw/zinc/48/81/17/553488117.db2.gz KLTAKNVTWVWHGX-XHHSMJHUSA-N 0 0 516.667 5.798 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000013763762 553488774 /nfs/dbraw/zinc/48/87/74/553488774.db2.gz JZAWKAOQRXNJSO-ITNAUSPISA-N 0 0 517.032 7.502 50 10 KKCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013768801 553489194 /nfs/dbraw/zinc/48/91/94/553489194.db2.gz SWBPFEITFKORFY-UBFVSLLYSA-N 0 0 515.363 5.359 50 10 KKCARN CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000013777825 553490166 /nfs/dbraw/zinc/49/01/66/553490166.db2.gz PGEIBKBTQPHRMA-JCMHNJIXSA-N 0 0 506.697 5.339 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=N)S1 ZINC000013785456 553490444 /nfs/dbraw/zinc/49/04/44/553490444.db2.gz ICRZKLVOJJYGST-IDQZTLFTSA-N 0 0 500.983 5.876 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013785739 553490577 /nfs/dbraw/zinc/49/05/77/553490577.db2.gz UPWNHXGBULLTEF-BWAHOGKJSA-N 0 0 503.693 6.862 50 10 KKCARN Cc1ccc(C)c(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)c1 ZINC000013798855 553491027 /nfs/dbraw/zinc/49/10/27/553491027.db2.gz DAARUSIILZNKEI-DFOFNOETSA-N 0 0 518.642 6.641 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000013800557 553491244 /nfs/dbraw/zinc/49/12/44/553491244.db2.gz CYOJRLPQNMIDOL-KRFWEUHSSA-N 0 0 519.692 6.098 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)ccc3OCCOc3ccc([C@@H](C)CC)cc3)C2=N)S1 ZINC000013801050 553491351 /nfs/dbraw/zinc/49/13/51/553491351.db2.gz ZPALGTHZKCJRAS-LZTLTHPWSA-N 0 0 511.047 6.340 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000013802059 553491554 /nfs/dbraw/zinc/49/15/54/553491554.db2.gz SVODVGUPXTZANK-GQHYPKHLSA-N 0 0 520.655 5.860 50 10 KKCARN COc1ccc(Br)cc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000013831092 553492897 /nfs/dbraw/zinc/49/28/97/553492897.db2.gz AWPVJENCARCDPF-YADARESESA-N 0 0 515.791 5.768 50 10 KKCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S ZINC000013880307 553493882 /nfs/dbraw/zinc/49/38/82/553493882.db2.gz ZZPZRTPNELXBJN-MTJSOVHGSA-N 0 0 517.445 6.123 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000013893713 553494327 /nfs/dbraw/zinc/49/43/27/553494327.db2.gz CMWWHEAEHUDPER-YZMYJVHESA-N 0 0 517.716 7.449 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000013893123 553494361 /nfs/dbraw/zinc/49/43/61/553494361.db2.gz GTDAYUSGJXDHNA-VKRJAPGXSA-N 0 0 506.628 5.517 50 10 KKCARN CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000013893851 553494437 /nfs/dbraw/zinc/49/44/37/553494437.db2.gz KORBPEJUKITJFQ-SHBKTDBZSA-N 0 0 503.689 7.454 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000013896844 553494876 /nfs/dbraw/zinc/49/48/76/553494876.db2.gz GZRNJOVGVYINEK-PEYOBPGZSA-N 0 0 513.019 5.452 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 ZINC000013897974 553495033 /nfs/dbraw/zinc/49/50/33/553495033.db2.gz DTHNHCKQDZOFPL-PXLXIMEGSA-N 0 0 506.089 6.425 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)c(Br)cc1OCc1ccccc1 ZINC000013914024 553495458 /nfs/dbraw/zinc/49/54/58/553495458.db2.gz WLCMRXABIQYCJN-UNOMPAQXSA-N 0 0 511.803 6.496 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000013942366 553496684 /nfs/dbraw/zinc/49/66/84/553496684.db2.gz WJBXVIWQPBNQAB-PEYOBPGZSA-N 0 0 513.019 5.452 50 10 KKCARN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000014010560 553499268 /nfs/dbraw/zinc/49/92/68/553499268.db2.gz PNHZPNWYFGOCKK-HAHDFKILSA-N 0 0 523.460 7.402 50 10 KKCARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000014166073 553505772 /nfs/dbraw/zinc/50/57/72/553505772.db2.gz OLLWYMQKAZZLOQ-YDIMBITNSA-N 0 0 504.961 6.986 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000014357219 553512356 /nfs/dbraw/zinc/51/23/56/553512356.db2.gz JWBSKPOEFHFRBM-QGZVFWFLSA-N 0 0 520.551 6.826 50 10 KKCARN CCCOc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1OCC ZINC000014358057 553512876 /nfs/dbraw/zinc/51/28/76/553512876.db2.gz RVONUOZJUZYTEY-ACCUITESSA-N 0 0 529.555 6.740 50 10 KKCARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2O1 ZINC000015227830 553529499 /nfs/dbraw/zinc/52/94/99/553529499.db2.gz HDUVHOZIYLXBNJ-HPUZFYODSA-N 0 0 509.656 6.264 50 10 KKCARN CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015946324 553544444 /nfs/dbraw/zinc/54/44/44/553544444.db2.gz AATCCSJFDMHGLJ-INIZCTEOSA-N 0 0 501.244 5.174 50 10 KKCARN CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016000481 553549936 /nfs/dbraw/zinc/54/99/36/553549936.db2.gz IAFRTWVUXUTWMQ-CCDWMCETSA-N 0 0 516.366 5.611 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016001896 553550034 /nfs/dbraw/zinc/55/00/34/553550034.db2.gz SOJKNODNUAKZLB-OYUWMTPXSA-N 0 0 526.032 6.397 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000016007618 553550499 /nfs/dbraw/zinc/55/04/99/553550499.db2.gz RZAKOMBVLCDMMK-HZFUHODCSA-N 0 0 519.528 5.744 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016011576 553550645 /nfs/dbraw/zinc/55/06/45/553550645.db2.gz UDHCACRAOSNMET-RWSKJCERSA-N 0 0 525.604 6.320 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000016039014 553552711 /nfs/dbraw/zinc/55/27/11/553552711.db2.gz FPVOSZGNVGNVLR-OYUWMTPXSA-N 0 0 522.601 5.241 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016039497 553552719 /nfs/dbraw/zinc/55/27/19/553552719.db2.gz GXUFLEKBUAERLH-FRXPANAUSA-N 0 0 511.577 6.012 50 10 KKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000016605327 553568786 /nfs/dbraw/zinc/56/87/86/553568786.db2.gz SMLGOGSROLOPEW-UHFFFAOYSA-N 0 0 504.333 5.182 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000016694241 553573908 /nfs/dbraw/zinc/57/39/08/553573908.db2.gz AEJIITNPNUARQU-UQQQWYQISA-N 0 0 517.010 6.013 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000016700533 553574435 /nfs/dbraw/zinc/57/44/35/553574435.db2.gz IESFUAINSVPHBJ-SWKFRHMKSA-N 0 0 504.634 7.305 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 ZINC000016700780 553574561 /nfs/dbraw/zinc/57/45/61/553574561.db2.gz WFCNOILOUMNOHG-VAMRJTSQSA-N 0 0 524.624 7.081 50 10 KKCARN CCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000016700895 553574755 /nfs/dbraw/zinc/57/47/55/553574755.db2.gz FXNYFUCCZSDTGN-QJOMJCCJSA-N 0 0 518.708 5.073 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S ZINC000016729223 553575585 /nfs/dbraw/zinc/57/55/85/553575585.db2.gz XINDEYFFBKSGQK-KQWNVCNZSA-N 0 0 511.644 5.705 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000016730845 553576681 /nfs/dbraw/zinc/57/66/81/553576681.db2.gz MHJDXJMPHPLCAO-KRXRYSOXSA-N 0 0 521.708 5.768 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)c2cc(Br)ccc21 ZINC000016730774 553576682 /nfs/dbraw/zinc/57/66/82/553576682.db2.gz CWMRXFYPOVEAJT-MODMUFLJSA-N 0 0 523.562 6.774 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3Cl)C2=O)SC1=S ZINC000016730746 553576700 /nfs/dbraw/zinc/57/67/00/553576700.db2.gz AXRUTLZZGMMNKW-DQRAZIAOSA-N 0 0 514.072 5.477 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)SC1=S ZINC000016730666 553576716 /nfs/dbraw/zinc/57/67/16/553576716.db2.gz DPWDSCAEQGAQQP-VHXPQNKSSA-N 0 0 507.681 5.440 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000016791061 553582719 /nfs/dbraw/zinc/58/27/19/553582719.db2.gz OMEQYPNECLHHHM-OIHNEICTSA-N 0 0 519.736 7.356 50 10 KKCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(Br)c3)C2=N)S1 ZINC000017146000 553589175 /nfs/dbraw/zinc/58/91/75/553589175.db2.gz UJHJYCRXSWSSSM-XYSYLGEOSA-N 0 0 512.429 5.691 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)ccc1O ZINC000070673055 553603138 /nfs/dbraw/zinc/60/31/38/553603138.db2.gz LGXVJPJFZSZBOT-DYIKCSJPSA-N 0 0 527.576 5.717 50 10 biogenic KKCARN CC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000018105723 553604420 /nfs/dbraw/zinc/60/44/20/553604420.db2.gz ZFLJYJVLXBPSRO-XIEYBQDHSA-N 0 0 519.095 6.551 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000018113561 553604765 /nfs/dbraw/zinc/60/47/65/553604765.db2.gz COWPUGUPZCGKPM-HBMCJLEFSA-N 0 0 570.317 5.163 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000070687043 553606120 /nfs/dbraw/zinc/60/61/20/553606120.db2.gz YXUDLUCABYSHGV-ATNBEAFSSA-N 0 0 539.587 5.928 50 10 biogenic KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000070687227 553606418 /nfs/dbraw/zinc/60/64/18/553606418.db2.gz IPEGLIQXORRPHH-OWHBQTKESA-N 0 0 555.630 6.329 50 10 biogenic KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000018192739 553608398 /nfs/dbraw/zinc/60/83/98/553608398.db2.gz YCHLDQUWABZTKE-HBMCJLEFSA-N 0 0 526.759 5.342 50 10 KKCARN Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000019910571 553633184 /nfs/dbraw/zinc/63/31/84/553633184.db2.gz JVWTZGXMKBGVSH-VWLOTQADSA-N 0 0 516.831 6.951 50 10 KKCARN N=C1/C(=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000020024269 553663114 /nfs/dbraw/zinc/66/31/14/553663114.db2.gz LPRUAACKZHAWBT-MGKZEPQOSA-N 0 0 506.414 6.877 50 10 KKCARN O=C1c2ccccc2C(=O)c2c(Nc3nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4ccccc4)n3)cccc21 ZINC000079238260 553672560 /nfs/dbraw/zinc/67/25/60/553672560.db2.gz MVIFQPPFCHUSIH-UHFFFAOYSA-N 0 0 599.606 6.577 50 10 KKCARN COc1cc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(O)c1O ZINC000079493709 553672854 /nfs/dbraw/zinc/67/28/54/553672854.db2.gz FHOWKRSCJIRALI-UHFFFAOYSA-N 0 0 503.555 6.423 50 10 KKCARN CC(C)(C)c1cc(N(c2ccc(N)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000082048478 553673570 /nfs/dbraw/zinc/67/35/70/553673570.db2.gz AWSZRVSTUVTUSX-UHFFFAOYSA-N 0 0 516.770 9.340 50 10 KKCARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000085867512 553687918 /nfs/dbraw/zinc/68/79/18/553687918.db2.gz KBYILHOJMPSPJO-PVIKESTJSA-N 0 0 678.954 11.182 50 10 biogenic KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(Cl)c3)ccc21 ZINC000020729282 553691526 /nfs/dbraw/zinc/69/15/26/553691526.db2.gz JXEZJPOMKVDDCI-UHFFFAOYSA-N 0 0 501.140 5.424 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000020730802 553691843 /nfs/dbraw/zinc/69/18/43/553691843.db2.gz JYRUIMODKSVPFG-UHFFFAOYSA-N 0 0 515.167 5.732 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccccc3OCC)c2C(=O)Nc2ccccc2OCC)C1 ZINC000020738260 553694860 /nfs/dbraw/zinc/69/48/60/553694860.db2.gz KUAIJAJZJZTZBV-UHFFFAOYSA-N 0 0 523.655 5.925 50 10 KKCARN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763033 553696128 /nfs/dbraw/zinc/69/61/28/553696128.db2.gz UDQVFDHGZAWUGK-FYYLOGMGSA-N 0 0 516.233 6.148 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763922 553696414 /nfs/dbraw/zinc/69/64/14/553696414.db2.gz IGLPEVYRQKXAIM-UPVQGACJSA-N 0 0 520.254 7.083 50 10 KKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764135 553696429 /nfs/dbraw/zinc/69/64/29/553696429.db2.gz HENFBZAYGIMAOE-YKSBVNFPSA-N 0 0 501.808 6.048 50 10 KKCARN COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000020763704 553696443 /nfs/dbraw/zinc/69/64/43/553696443.db2.gz QCEDCISREFBBQL-GMAHTHKFSA-N 0 0 516.233 6.148 50 10 KKCARN COc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764589 553696664 /nfs/dbraw/zinc/69/66/64/553696664.db2.gz OWTWLCAOBBFYKB-ZJSXRUAMSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(Cl)cc3Cl)N2)c1O ZINC000020764430 553696702 /nfs/dbraw/zinc/69/67/02/553696702.db2.gz PNFMFLCNVDSVTB-QPPBQGQZSA-N 0 0 520.254 7.083 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000020764756 553696707 /nfs/dbraw/zinc/69/67/07/553696707.db2.gz NMUNCMRMEQVZEP-IFMALSPDSA-N 0 0 510.646 7.337 50 10 KKCARN COc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764581 553696730 /nfs/dbraw/zinc/69/67/30/553696730.db2.gz BTIJGNUIDWJPPH-XUZZJYLKSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3c(F)cccc3Cl)N2)c1O ZINC000020765255 553697059 /nfs/dbraw/zinc/69/70/59/553697059.db2.gz ADRIGWDKARVMIG-GBXCKJPGSA-N 0 0 503.799 6.568 50 10 KKCARN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccccc3C)N=C2C)c1 ZINC000095470883 553701409 /nfs/dbraw/zinc/70/14/09/553701409.db2.gz WUBLPLBRKVEKTB-RPCRKUJJSA-N 0 0 518.621 6.049 50 10 KKCARN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCOCC3)=NC2=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000095739690 553711299 /nfs/dbraw/zinc/71/12/99/553711299.db2.gz QDEQTZKFPVYXAU-VRTLSRNKSA-N 0 0 557.115 6.986 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=S)NCCc2ccccc2)cc1 ZINC000095945176 553715609 /nfs/dbraw/zinc/71/56/09/553715609.db2.gz LGSFKAJXTCBBPN-RUZDIDTESA-N 0 0 507.501 5.783 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)c3cccs3)C(C)(C)C2=S)S1 ZINC000096022909 553723151 /nfs/dbraw/zinc/72/31/51/553723151.db2.gz RYWJPNRCXNRMBX-UHFFFAOYSA-N 0 0 531.702 5.572 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290287 553743377 /nfs/dbraw/zinc/74/33/77/553743377.db2.gz CLWMXDSFCYUMRE-UHFFFAOYSA-N 0 0 514.610 5.712 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096290299 553743418 /nfs/dbraw/zinc/74/34/18/553743418.db2.gz ZNRXBJYAGUXHPN-UHFFFAOYSA-N 0 0 524.605 5.610 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096292293 553745923 /nfs/dbraw/zinc/74/59/23/553745923.db2.gz BKUCKWRQPCURFJ-UHFFFAOYSA-N 0 0 526.621 5.856 50 10 KKCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294636 553748045 /nfs/dbraw/zinc/74/80/45/553748045.db2.gz WOPQFTJKWPOSLC-UHFFFAOYSA-N 0 0 527.514 6.002 50 10 KKCARN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 ZINC000096299677 553748761 /nfs/dbraw/zinc/74/87/61/553748761.db2.gz RVURBOGPHSVYAN-TZRRMPRUSA-N 0 0 517.940 5.298 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccccc2Cl)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096580738 553756095 /nfs/dbraw/zinc/75/60/95/553756095.db2.gz FPCSHFIYAQBJQQ-FHUDNDRBSA-N 0 0 513.085 6.909 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)c3ccccc3-c3ccccc3)C(C)(C)C2=S)S1 ZINC000097944155 553768808 /nfs/dbraw/zinc/76/88/08/553768808.db2.gz JQHZJYXPCLZUHZ-UHFFFAOYSA-N 0 0 601.771 7.177 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000097944371 553769368 /nfs/dbraw/zinc/76/93/68/553769368.db2.gz ITRJNTMILHVWCT-MPKYGIEOSA-N 0 0 728.332 6.333 50 10 KKCARN CC(NCCCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000097944448 553769520 /nfs/dbraw/zinc/76/95/20/553769520.db2.gz VHMVYKLVMPWFPD-KKTFQPMKSA-N 0 0 611.570 7.063 50 10 KKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)cc1 ZINC000097944542 553770142 /nfs/dbraw/zinc/77/01/42/553770142.db2.gz ZRZMLRUKQLCDNT-XIEYBQDHSA-N 0 0 557.517 7.253 50 10 KKCARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C ZINC000097944930 553770305 /nfs/dbraw/zinc/77/03/05/553770305.db2.gz HQFVEBRAEIPNHJ-UUYOSTAYSA-N 0 0 544.957 6.652 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000097945919 553775418 /nfs/dbraw/zinc/77/54/18/553775418.db2.gz MACDDMIUBMERTI-MOSHPQCFSA-N 0 0 582.094 7.026 50 10 KKCARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000097946096 553776631 /nfs/dbraw/zinc/77/66/31/553776631.db2.gz KZSYQODCWIHCHN-JLPGSUDCSA-N 0 0 590.727 6.146 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)cc2OC)cc1 ZINC000097946125 553776634 /nfs/dbraw/zinc/77/66/34/553776634.db2.gz AEMBYOAYIVSHQH-SLCDSSBPSA-N 0 0 613.717 5.526 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097946208 553777432 /nfs/dbraw/zinc/77/74/32/553777432.db2.gz ARJZLSFNEWAVFC-BWAHOGKJSA-N 0 0 588.158 5.384 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000097946206 553777476 /nfs/dbraw/zinc/77/74/76/553777476.db2.gz SHCPMHCMWSOCQJ-QOMWVZHYSA-N 0 0 602.185 5.427 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000097946374 553778729 /nfs/dbraw/zinc/77/87/29/553778729.db2.gz DYGVNICADDEXOK-KGENOOAVSA-N 0 0 632.736 6.779 50 10 KKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946440 553779242 /nfs/dbraw/zinc/77/92/42/553779242.db2.gz QCJQAZMTYMRHLA-YSMPRRRNSA-N 0 0 580.562 8.036 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)SC2=S)cc1OC ZINC000097946474 553779505 /nfs/dbraw/zinc/77/95/05/553779505.db2.gz ZKXPVRPBWXOVRV-QXPFVDMISA-N 0 0 627.832 7.734 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946443 553779514 /nfs/dbraw/zinc/77/95/14/553779514.db2.gz GJEWKSGWNSPAQB-MIXAMLLLSA-N 0 0 622.643 9.207 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1F ZINC000097946488 553779789 /nfs/dbraw/zinc/77/97/89/553779789.db2.gz PPRQOFCADBYDNO-ITYLOYPMSA-N 0 0 529.662 6.521 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946480 553779814 /nfs/dbraw/zinc/77/98/14/553779814.db2.gz ULADZKFANRQZFG-JDCMOKTRSA-N 0 0 655.805 7.322 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)cc1Cl ZINC000097946559 553780289 /nfs/dbraw/zinc/78/02/89/553780289.db2.gz SHUWGRGWGKQLCK-QQXSKIMKSA-N 0 0 580.562 8.036 50 10 KKCARN CCCCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC ZINC000097946584 553780516 /nfs/dbraw/zinc/78/05/16/553780516.db2.gz ZZDZYGUQSBNFAV-HKOYGPOVSA-N 0 0 537.707 5.858 50 10 KKCARN Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1C ZINC000097946636 553780765 /nfs/dbraw/zinc/78/07/65/553780765.db2.gz GVTJCSOAQXNZOC-IZHYLOQSSA-N 0 0 531.634 5.199 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946665 553781055 /nfs/dbraw/zinc/78/10/55/553781055.db2.gz UFHNRCWDVKOHBF-DEDYPNTBSA-N 0 0 542.469 6.457 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1Cl ZINC000097946661 553781127 /nfs/dbraw/zinc/78/11/27/553781127.db2.gz QXDWMRRIRLHDST-OFWBYEQRSA-N 0 0 598.172 6.770 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946707 553781327 /nfs/dbraw/zinc/78/13/27/553781327.db2.gz GTRQSKDOVQHZRS-BGDIREAQSA-N 0 0 607.113 8.606 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000097946936 553782333 /nfs/dbraw/zinc/78/23/33/553782333.db2.gz XPTVKAKYJLICOY-CEUNXORHSA-N 0 0 581.528 8.425 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000097946933 553782353 /nfs/dbraw/zinc/78/23/53/553782353.db2.gz JPTQBYZYIFEFHF-ITYLOYPMSA-N 0 0 553.112 7.833 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000097946959 553782614 /nfs/dbraw/zinc/78/26/14/553782614.db2.gz RXRQLLMAIJZCLL-MTJSOVHGSA-N 0 0 556.517 7.829 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000097946961 553782621 /nfs/dbraw/zinc/78/26/21/553782621.db2.gz IFNKQOGYAPHXEY-ZRJHTQTMSA-N 0 0 548.513 6.593 50 10 KKCARN COCCCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947001 553782842 /nfs/dbraw/zinc/78/28/42/553782842.db2.gz KMAATKDNSOPRMB-PZNLSKEWSA-N 0 0 589.950 5.438 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097946997 553782869 /nfs/dbraw/zinc/78/28/69/553782869.db2.gz QFVOYHIMNYPFCL-QJZOQMCSSA-N 0 0 581.930 6.747 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097946998 553782879 /nfs/dbraw/zinc/78/28/79/553782879.db2.gz QFVOYHIMNYPFCL-STBLRHGLSA-N 0 0 581.930 6.747 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947019 553783099 /nfs/dbraw/zinc/78/30/99/553783099.db2.gz YDOLCBLSOSZZIO-HVUZKSCUSA-N 0 0 595.957 6.193 50 10 KKCARN CC(C)CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947037 553783159 /nfs/dbraw/zinc/78/31/59/553783159.db2.gz PDFSDZIBBXUTIZ-GFRDMQPWSA-N 0 0 571.979 6.886 50 10 KKCARN COc1ccc(C(=O)N[C@H](Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947048 553783274 /nfs/dbraw/zinc/78/32/74/553783274.db2.gz IETXTTCGSKMYTI-LMTOTAIGSA-N 0 0 621.995 6.644 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000097947087 553783637 /nfs/dbraw/zinc/78/36/37/553783637.db2.gz YNDYJWNHFLIOST-SNCSUOKWSA-N 0 0 696.254 6.792 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 ZINC000097947189 553784461 /nfs/dbraw/zinc/78/44/61/553784461.db2.gz OLWXFGFDKRQAFV-QEOQBAOWSA-N 0 0 646.816 9.314 50 10 KKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000097947262 553784987 /nfs/dbraw/zinc/78/49/87/553784987.db2.gz WPPKDVLWROBQOZ-SWKFRHMKSA-N 0 0 563.727 6.116 50 10 KKCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)C[C@H](C)O1 ZINC000097947252 553785026 /nfs/dbraw/zinc/78/50/26/553785026.db2.gz FJZQEYWULUYVLH-BQJGQUNQSA-N 0 0 550.684 6.198 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000097947245 553785049 /nfs/dbraw/zinc/78/50/49/553785049.db2.gz HEDDHULCFLXZQI-IMRQLAEWSA-N 0 0 557.075 6.074 50 10 KKCARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097947383 553785833 /nfs/dbraw/zinc/78/58/33/553785833.db2.gz WZYOLQJKVHXDGO-QJOMJCCJSA-N 0 0 527.671 6.186 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000097947434 553786374 /nfs/dbraw/zinc/78/63/74/553786374.db2.gz 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/nfs/dbraw/zinc/79/98/08/553799808.db2.gz LREFTQLPKXCINW-FQEVSTJZSA-N 0 0 646.876 7.590 50 10 KKCARN CCN(CC)c1ccc(NC=C2C(=O)N(c3ccccc3OC)C(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000097951112 553807243 /nfs/dbraw/zinc/80/72/43/553807243.db2.gz NBKOKZLLCMMNCK-UHFFFAOYSA-N 0 0 530.650 5.211 50 10 KKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000025579007 553811461 /nfs/dbraw/zinc/81/14/61/553811461.db2.gz WWHNLQSYMLAGRU-YADARESESA-N 0 0 515.791 6.068 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1C ZINC000025581443 553811666 /nfs/dbraw/zinc/81/16/66/553811666.db2.gz JLRNPQCDXGBGGJ-OVVQPSECSA-N 0 0 525.699 7.351 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(C)c(C)c3)C1=N2 ZINC000097952184 553813806 /nfs/dbraw/zinc/81/38/06/553813806.db2.gz RZWOKUGBBFSSSB-GDLZYMKVSA-N 0 0 541.615 6.399 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000026686992 553820004 /nfs/dbraw/zinc/82/00/04/553820004.db2.gz CVORSMFVPXLAND-ULJHMMPZSA-N 0 0 509.693 6.746 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCCC(C)C ZINC000026687637 553820403 /nfs/dbraw/zinc/82/04/03/553820403.db2.gz DDWVIWKTTOYSBH-RRAHZORUSA-N 0 0 528.722 7.119 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000027017294 553823146 /nfs/dbraw/zinc/82/31/46/553823146.db2.gz DKAKOZRENDQBAP-AFCGFJAISA-N 0 0 502.640 5.326 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000027017322 553823175 /nfs/dbraw/zinc/82/31/75/553823175.db2.gz OFHZIZZUXJNIDH-ZHZULCJRSA-N 0 0 514.093 7.308 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1C ZINC000027017274 553823191 /nfs/dbraw/zinc/82/31/91/553823191.db2.gz LRKWKYLPEZVLMW-SWKFRHMKSA-N 0 0 524.624 7.081 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000027018028 553823414 /nfs/dbraw/zinc/82/34/14/553823414.db2.gz WSTZAWSSVUSJMF-SWKFRHMKSA-N 0 0 510.597 6.773 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000027531869 553832049 /nfs/dbraw/zinc/83/20/49/553832049.db2.gz DNXKSWNBFHDBSI-PXLXIMEGSA-N 0 0 522.088 5.661 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000027531837 553832051 /nfs/dbraw/zinc/83/20/51/553832051.db2.gz GWJHQSWSDNHAKG-JJIBRWJFSA-N 0 0 501.670 5.398 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000027549334 553833607 /nfs/dbraw/zinc/83/36/07/553833607.db2.gz JHIPFSSCZQTEKD-UAJGQANVSA-N 0 0 512.591 5.015 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000027549301 553833613 /nfs/dbraw/zinc/83/36/13/553833613.db2.gz ZAHKSYCOGWJFJK-DEGVDWGGSA-N 0 0 500.555 5.275 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 ZINC000027549358 553833617 /nfs/dbraw/zinc/83/36/17/553833617.db2.gz LWNXOIPWPKMTLJ-WQNCQSPLSA-N 0 0 512.591 5.129 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000027549743 553833809 /nfs/dbraw/zinc/83/38/09/553833809.db2.gz CVXACTJGJSASQM-PPIATVRMSA-N 0 0 506.628 5.435 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4[C@H](C)CC)c(OC)c3)C2=N)S1 ZINC000027549735 553833818 /nfs/dbraw/zinc/83/38/18/553833818.db2.gz SRVHPEUNZZSNFP-SNNGFDPVSA-N 0 0 506.628 5.696 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000027549881 553834312 /nfs/dbraw/zinc/83/43/12/553834312.db2.gz YCHBAFIYSPCIBH-XXHFGZKOSA-N 0 0 527.046 5.780 50 10 KKCARN CCCCCC[C@@H](CC[n+]1c(/C=C(/C=C2\Sc3ccc(OC)cc3N2CC)CC)sc2ccc(OC)cc21)S(=O)(=O)[O-] ZINC000097955905 553834914 /nfs/dbraw/zinc/83/49/14/553834914.db2.gz BNOWNSKQWMPFPV-SANMLTNESA-O 0 0 631.906 8.090 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C)n1-c1ccc(C)cc1 ZINC000097956778 553841773 /nfs/dbraw/zinc/84/17/73/553841773.db2.gz KKMNVHYVTDJSMT-UHFFFAOYSA-N 0 0 539.726 7.017 50 10 KKCARN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3/N=N/c3ccc(C)cc3)c2)cc1 ZINC000029059635 553844276 /nfs/dbraw/zinc/84/42/76/553844276.db2.gz OYHYTXFCMWJQPK-LMXNTIJMSA-N 0 0 580.692 10.256 50 10 KKCARN O=C(C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000029491862 553845223 /nfs/dbraw/zinc/84/52/23/553845223.db2.gz AVIIXPXBSIPTPV-UHFFFAOYSA-N 0 0 554.682 9.286 50 10 KKCARN Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc21 ZINC000097957736 553847708 /nfs/dbraw/zinc/84/77/08/553847708.db2.gz OPJNNWOEPIGUPG-NORRPQMOSA-N 0 0 540.048 6.350 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000097957894 553849520 /nfs/dbraw/zinc/84/95/20/553849520.db2.gz YJHIWOIHTMCNBK-GHLLBXISSA-N 0 0 597.096 7.169 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C1\C(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000029748647 553849713 /nfs/dbraw/zinc/84/97/13/553849713.db2.gz CWEACRWICPTWIT-HNENSFHCSA-N 0 0 556.749 5.051 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097957972 553850214 /nfs/dbraw/zinc/85/02/14/553850214.db2.gz DSSJHSLZLVWUMO-LEXTUMAWSA-N 0 0 543.443 5.253 50 10 KKCARN COc1ccccc1OCCCOc1c(Cl)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000097958030 553850431 /nfs/dbraw/zinc/85/04/31/553850431.db2.gz CLSJMYZFTYDYAS-KOEQRZSOSA-N 0 0 556.105 6.607 50 10 KKCARN COc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097958179 553852097 /nfs/dbraw/zinc/85/20/97/553852097.db2.gz RTINAKJXOCWFBU-UCQKPKSFSA-N 0 0 546.497 6.861 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000097958482 553855123 /nfs/dbraw/zinc/85/51/23/553855123.db2.gz ZXZXPSYEBHBMKC-LBOPPBIISA-N 0 0 548.646 5.199 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000097958481 553855141 /nfs/dbraw/zinc/85/51/41/553855141.db2.gz WKBIEYOWLIOVGM-DOELSWKASA-N 0 0 553.482 6.236 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000097958492 553855247 /nfs/dbraw/zinc/85/52/47/553855247.db2.gz KCRICADHDYYKKS-ZVYDIXMWSA-N 0 0 595.508 6.744 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000097958556 553855883 /nfs/dbraw/zinc/85/58/83/553855883.db2.gz PZDUKNORVJKWSN-BHZZIYFYSA-N 0 0 581.097 7.447 50 10 KKCARN Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000097958708 553857036 /nfs/dbraw/zinc/85/70/36/553857036.db2.gz CEWURUAKQUCENZ-UCQKPKSFSA-N 0 0 544.525 7.469 50 10 KKCARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000097958727 553857136 /nfs/dbraw/zinc/85/71/36/553857136.db2.gz FIYYCLWENWPYJM-RGXNXFOYSA-N 0 0 610.732 6.473 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000097958863 553858394 /nfs/dbraw/zinc/85/83/94/553858394.db2.gz LBYSLPVQBBNJKV-ZABLMZMLSA-N 0 0 593.130 6.608 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1 ZINC000097958998 553859711 /nfs/dbraw/zinc/85/97/11/553859711.db2.gz NLQAWDICXXKMKE-LGUFXXKBSA-N 0 0 554.133 7.555 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097959040 553860031 /nfs/dbraw/zinc/86/00/31/553860031.db2.gz NYBRPHKQTPJNMD-HNNMHMBOSA-N 0 0 646.551 6.330 50 10 KKCARN CCCCCCOc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097959234 553862002 /nfs/dbraw/zinc/86/20/02/553862002.db2.gz ISIMLRDRNIOCSB-JBASAIQMSA-N 0 0 577.768 7.514 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4cccc(OCCOc5ccc(Br)cc5)c4)C3=N)S2)cc1 ZINC000097959250 553862009 /nfs/dbraw/zinc/86/20/09/553862009.db2.gz KXWKKXRRHUAUII-ZICPAJISSA-N 0 0 561.461 5.883 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097959457 553863934 /nfs/dbraw/zinc/86/39/34/553863934.db2.gz WIOMASJPDPXIAP-IWIPYMOSSA-N 0 0 560.524 7.170 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccc([C@@H](C)CC)cc1 ZINC000097959619 553864879 /nfs/dbraw/zinc/86/48/79/553864879.db2.gz FZXACYLCWHHOAY-DPBBQRGUSA-N 0 0 561.769 7.848 50 10 KKCARN O=C(Oc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000032121263 553865523 /nfs/dbraw/zinc/86/55/23/553865523.db2.gz KJNCQIRAYDKECF-PWRPZPATSA-N 0 0 501.670 8.200 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCCOc1cc(C)ccc1C ZINC000097960176 553868953 /nfs/dbraw/zinc/86/89/53/553868953.db2.gz QLLHJSMIVBVPOH-QECHZJHISA-N 0 0 680.568 6.740 50 10 KKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Oc2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1 ZINC000097960216 553869271 /nfs/dbraw/zinc/86/92/71/553869271.db2.gz HXAKTDDXVVXZRC-CHQNLTHESA-N 0 0 616.681 10.814 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097960733 553873321 /nfs/dbraw/zinc/87/33/21/553873321.db2.gz TXKKBDFOBJYVKF-UPGXFCGVSA-N 0 0 581.138 7.129 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1Cl ZINC000097961835 553880824 /nfs/dbraw/zinc/88/08/24/553880824.db2.gz KIUGKTDFRJIXNY-YDZHTSKRSA-N 0 0 541.050 5.781 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000097962108 553883057 /nfs/dbraw/zinc/88/30/57/553883057.db2.gz YBZLWQANSGXWTR-BKUYFWCQSA-N 0 0 589.920 6.236 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(Br)c3)S2)cc1 ZINC000097962639 553884889 /nfs/dbraw/zinc/88/48/89/553884889.db2.gz ZXNLEIYSSRAYRM-HMAPJEAMSA-N 0 0 588.321 7.272 50 10 KKCARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040520 553893526 /nfs/dbraw/zinc/89/35/26/553893526.db2.gz UKHVLWYOQMASDJ-NDEPHWFRSA-N 0 0 512.679 6.629 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CCCC4)cc1 ZINC000033040540 553893770 /nfs/dbraw/zinc/89/37/70/553893770.db2.gz KLLIYVZHZFMITC-HHHXNRCGSA-N 0 0 517.098 7.274 50 10 KKCARN CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040577 553893815 /nfs/dbraw/zinc/89/38/15/553893815.db2.gz DVWUVDOZHHHBPE-LJAQVGFWSA-N 0 0 526.706 7.019 50 10 KKCARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040575 553893817 /nfs/dbraw/zinc/89/38/17/553893817.db2.gz HTYQJHZGOSNTIM-GDLZYMKVSA-N 0 0 526.706 7.019 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccco1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051221 553895958 /nfs/dbraw/zinc/89/59/58/553895958.db2.gz MXAOXEANAGXAJV-MUUNZHRXSA-N 0 0 506.610 5.445 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NC1CCCCC1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051225 553896024 /nfs/dbraw/zinc/89/60/24/553896024.db2.gz LNAKEQIJJYDHSH-GDLZYMKVSA-N 0 0 508.670 5.985 50 10 KKCARN Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1C ZINC000097964346 553897462 /nfs/dbraw/zinc/89/74/62/553897462.db2.gz RGDWZIOVJUDWPB-MBEOPLCSSA-N 0 0 579.751 7.237 50 10 KKCARN CCc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964343 553897497 /nfs/dbraw/zinc/89/74/97/553897497.db2.gz HVJRCIMVZVBMIC-YNONPNSKSA-N 0 0 579.751 7.183 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964924 553901951 /nfs/dbraw/zinc/90/19/51/553901951.db2.gz SNNNQSNJCVKYIK-DFOFNOETSA-N 0 0 565.655 5.735 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000097964946 553901956 /nfs/dbraw/zinc/90/19/56/553901956.db2.gz VEMCUNGXEHHOJH-ROTLLEFLSA-N 0 0 569.634 6.502 50 10 KKCARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1N=C2/C(=C/c3ccc(N4CCOCC4)cc3)CCC[C@H]2[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000097965212 553903546 /nfs/dbraw/zinc/90/35/46/553903546.db2.gz IXAHVMZDTXTIBD-QMAOSDLDSA-N 0 0 689.860 8.012 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4coc5ccc(F)cc5c4=O)c(=O)n2[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965895 553905782 /nfs/dbraw/zinc/90/57/82/553905782.db2.gz HVEMACWDKUPMDE-BGXGWLASSA-N 0 0 632.761 5.860 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097966228 553907599 /nfs/dbraw/zinc/90/75/99/553907599.db2.gz DRPDSXADDXRZBH-IRCMEVCOSA-N 0 0 540.645 5.827 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000097966216 553907611 /nfs/dbraw/zinc/90/76/11/553907611.db2.gz FFEFLNYTTDCJFV-LPYMAVHISA-N 0 0 607.922 6.934 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000097966219 553907648 /nfs/dbraw/zinc/90/76/48/553907648.db2.gz RBZLPYAMXOJXBS-QKVDKRGOSA-N 0 0 531.407 5.595 50 10 KKCARN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097966252 553907749 /nfs/dbraw/zinc/90/77/49/553907749.db2.gz UNFWEFYJNWUJNW-LPYMAVHISA-N 0 0 525.424 5.686 50 10 KKCARN Cc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000097966471 553909017 /nfs/dbraw/zinc/90/90/17/553909017.db2.gz UADIIUKHJDWCEU-KGENOOAVSA-N 0 0 551.642 6.166 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3c(-c4cccc(OC)c4)cc4c3CCCCC4)cc2)C1 ZINC000033114810 553910815 /nfs/dbraw/zinc/91/08/15/553910815.db2.gz XGXWODFLXMBANW-VWLOTQADSA-N 0 0 500.639 5.837 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)c1ccccc1I ZINC000033353391 553924780 /nfs/dbraw/zinc/92/47/80/553924780.db2.gz ZCAWFEMRFMDQEP-NDENLUEZSA-N 0 0 611.404 6.935 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)C(C)(C)C2=S)S1 ZINC000033353900 553927502 /nfs/dbraw/zinc/92/75/02/553927502.db2.gz KIJOKCYPKWBUAU-UHFFFAOYSA-N 0 0 609.578 7.209 50 10 KKCARN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccccc4C)N=C3C)cc2)cc1 ZINC000033354624 553930431 /nfs/dbraw/zinc/93/04/31/553930431.db2.gz XKHXGOWITUUKAF-RWRHWQIFSA-N 0 0 580.692 7.407 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 ZINC000033355100 553933266 /nfs/dbraw/zinc/93/32/66/553933266.db2.gz BXYMJPPZBKANIO-RUZDIDTESA-N 0 0 615.915 7.262 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000033358530 553956601 /nfs/dbraw/zinc/95/66/01/553956601.db2.gz QQNUVMRXVVLAAU-PLNPHXOGSA-N 0 0 637.733 5.499 50 10 KKCARN O=C1/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000033358623 553957005 /nfs/dbraw/zinc/95/70/05/553957005.db2.gz UQLRXQAJYDHHPD-UFWORHAWSA-N 0 0 678.277 8.476 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000097970777 553958701 /nfs/dbraw/zinc/95/87/01/553958701.db2.gz YDYFTSNYAWGXGG-XDHOZWIPSA-N 0 0 568.067 6.636 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 ZINC000033406341 553958965 /nfs/dbraw/zinc/95/89/65/553958965.db2.gz CGFWVWHYNDRAFW-JJIBRWJFSA-N 0 0 512.616 5.891 50 10 KKCARN COc1cc(/C=C2/SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000033496806 553961195 /nfs/dbraw/zinc/96/11/95/553961195.db2.gz NFROSGOAXYPWDC-NLRVBDNBSA-N 0 0 503.599 5.206 50 10 KKCARN CCC(Nc1cccc(Cl)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097971285 553962356 /nfs/dbraw/zinc/96/23/56/553962356.db2.gz GVKLZPXPLCKHKC-GFMRDNFCSA-N 0 0 539.513 7.874 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOCC)C2=O)cc1 ZINC000033617402 553964338 /nfs/dbraw/zinc/96/43/38/553964338.db2.gz YABVHEFJMPAECL-HKOYGPOVSA-N 0 0 507.681 5.956 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000033680906 553967889 /nfs/dbraw/zinc/96/78/89/553967889.db2.gz AFSOQTNVMGMNAF-HAHDFKILSA-N 0 0 511.068 6.399 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000033734659 553971028 /nfs/dbraw/zinc/97/10/28/553971028.db2.gz WXZSEQYHTUTJKZ-WSUZNMKQSA-N 0 0 501.631 6.069 50 10 KKCARN O=C(CC(=CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 ZINC000033888042 553976026 /nfs/dbraw/zinc/97/60/26/553976026.db2.gz YAIFETDIWCHSDR-CMILQILXSA-N 0 0 514.597 6.758 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1C ZINC000033920173 553976660 /nfs/dbraw/zinc/97/66/60/553976660.db2.gz KYYWAHQYCOWPPA-NLRVBDNBSA-N 0 0 517.720 7.170 50 10 KKCARN COc1cc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc(OC)c1OC ZINC000097979775 553982291 /nfs/dbraw/zinc/98/22/91/553982291.db2.gz XVGGPSZKJOLEEW-ZXVVBBHZSA-N 0 0 630.741 7.893 50 10 KKCARN COc1cc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000097980074 553984876 /nfs/dbraw/zinc/98/48/76/553984876.db2.gz KSVNSCCVSOWPHX-OQLLNIDSSA-N 0 0 639.673 6.528 50 10 KKCARN Cc1cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)C=Cc2ccccc2)C(C)C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000097981258 553992590 /nfs/dbraw/zinc/99/25/90/553992590.db2.gz NNWWWOVQSPDEHM-BOMYWPOKSA-N 0 0 560.619 5.036 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(Br)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097983439 554009401 /nfs/dbraw/zinc/00/94/01/554009401.db2.gz GDQNSGXDBZMJDD-QKUDYJAESA-N 0 0 557.536 7.018 50 10 KKCARN Cc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000097983573 554010005 /nfs/dbraw/zinc/01/00/05/554010005.db2.gz HYXFJESTUCRZIJ-UHFFFAOYSA-N 0 0 542.527 8.665 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N(C)C2CCCCC2)SC1=S ZINC000034902200 554025146 /nfs/dbraw/zinc/02/51/46/554025146.db2.gz CICWXAMPHCXIRT-VJWQYWRGSA-N 0 0 504.681 5.426 50 10 KKCARN CCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCCCC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000097996954 554038866 /nfs/dbraw/zinc/03/88/66/554038866.db2.gz KGWZPLMKEUGGHF-UHFFFAOYSA-N 0 0 618.730 8.105 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1F ZINC000098010831 554074957 /nfs/dbraw/zinc/07/49/57/554074957.db2.gz NBXQQPXNOGJCCM-OAQYLSRUSA-N 0 0 569.699 5.839 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000035844207 554082447 /nfs/dbraw/zinc/08/24/47/554082447.db2.gz LBNIJUQIRXNRNY-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035848335 554083461 /nfs/dbraw/zinc/08/34/61/554083461.db2.gz LLWSUTAUSNSZOE-XWHIBYANSA-N 0 0 523.632 7.126 50 10 KKCARN COc1ccc(N2CCN(C(=O)C[C@@H](c3cnc4ccc(Cl)cn43)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000098019976 554115951 /nfs/dbraw/zinc/11/59/51/554115951.db2.gz XKJHXLVADGEDTQ-XMMPIXPASA-N 0 0 542.989 5.886 50 10 KKCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cnc4ccc(Cl)cn43)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000098019975 554115999 /nfs/dbraw/zinc/11/59/99/554115999.db2.gz XKJHXLVADGEDTQ-DEOSSOPVSA-N 0 0 542.989 5.886 50 10 KKCARN CC(C)(C)c1cc(C(C)(C)C)cc(C2(C3(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)c1 ZINC000098043792 554128620 /nfs/dbraw/zinc/12/86/20/554128620.db2.gz TVMPNHLHIKQBRS-UHFFFAOYSA-N 0 0 666.902 10.211 50 10 KKCARN O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000098045386 554131225 /nfs/dbraw/zinc/13/12/25/554131225.db2.gz WXKOZTOKYGAJOH-UDWIEESQSA-N 0 0 532.087 6.147 50 10 KKCARN CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(NC(=O)C4CCC(CCCC)CC4)c4c3C(=O)c3ccccc3C4=O)cc2)CC1 ZINC000098048366 554161611 /nfs/dbraw/zinc/16/16/11/554161611.db2.gz HLRLREZUDOAPFG-UHFFFAOYSA-N 0 0 660.899 10.504 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NCC(C)C)cc4)nc(C)c3C)CC2)cc1 ZINC000036064155 554163172 /nfs/dbraw/zinc/16/31/72/554163172.db2.gz LOEJTHWJGBYKEE-UHFFFAOYSA-N 0 0 519.715 5.107 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 ZINC000100040984 554192285 /nfs/dbraw/zinc/19/22/85/554192285.db2.gz FFKCYSJTRDXDSM-JTOYJDTJSA-N 0 0 608.746 8.024 50 10 KKCARN O=C1C2=C(/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000100083963 554207854 /nfs/dbraw/zinc/20/78/54/554207854.db2.gz MFJKDAIQWZECHN-MKOZVTOYSA-N 0 0 577.434 6.650 50 10 KKCARN O=C1OC(c2ccccc2)=C/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000100083924 554207861 /nfs/dbraw/zinc/20/78/61/554207861.db2.gz RTWRXUBYFXPSNP-YBFXNURJSA-N 0 0 606.197 6.456 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(C)(C)C2=S)S1 ZINC000100088814 554210040 /nfs/dbraw/zinc/21/00/40/554210040.db2.gz TZRPSPRJKXQIQY-UKTHLTGXSA-N 0 0 596.708 5.818 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)Nc3ccc(Cl)cc3)C(C)(C)C2=S)S1 ZINC000100114815 554222878 /nfs/dbraw/zinc/22/28/78/554222878.db2.gz APWPETRWNPULGA-UHFFFAOYSA-N 0 0 575.133 6.555 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100127635 554225070 /nfs/dbraw/zinc/22/50/70/554225070.db2.gz JVJGTRBIYMNBEO-SDHOMARFSA-N 0 0 507.929 5.188 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000100148906 554230953 /nfs/dbraw/zinc/23/09/53/554230953.db2.gz BWOWWNUNCWWQPW-HYARGMPZSA-N 0 0 545.846 5.622 50 10 KKCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000100148802 554230982 /nfs/dbraw/zinc/23/09/82/554230982.db2.gz PYAKYNZUDFZNJN-RYQLWAFASA-N 0 0 526.547 5.710 50 10 KKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000100160804 554234974 /nfs/dbraw/zinc/23/49/74/554234974.db2.gz KMHKUVMDHNRVJV-HYARGMPZSA-N 0 0 542.151 6.570 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000100191851 554244866 /nfs/dbraw/zinc/24/48/66/554244866.db2.gz CQKNPBUWXMTUHG-XMHGGMMESA-N 0 0 537.240 8.487 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100229365 554255016 /nfs/dbraw/zinc/25/50/16/554255016.db2.gz YBQSFTLWJKECJK-NHFJDJAPSA-N 0 0 535.687 6.274 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100229449 554255048 /nfs/dbraw/zinc/25/50/48/554255048.db2.gz HDNZYFHCABNGLA-PXLXIMEGSA-N 0 0 556.643 5.163 50 10 KKCARN CN(C)c1ccc(/C=C2\SC(=O)N(C[C@@H](O)Cn3c4ccc(Cl)cc4c4cc(Cl)ccc43)C2=O)cc1 ZINC000100253035 554263530 /nfs/dbraw/zinc/26/35/30/554263530.db2.gz GAPBNWWKAXXVHI-FEIZOTCQSA-N 0 0 540.472 6.265 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000038141701 554265209 /nfs/dbraw/zinc/26/52/09/554265209.db2.gz KGFYWZORBYMPPZ-AUSIDOKSSA-N 0 0 530.216 5.868 50 10 KKCARN O=C1/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260414 554265540 /nfs/dbraw/zinc/26/55/40/554265540.db2.gz NYAQOIRMXJZIGX-NHDPSOOVSA-N 0 0 549.432 7.021 50 10 KKCARN CN1C(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000100264760 554266615 /nfs/dbraw/zinc/26/66/15/554266615.db2.gz LXFAWJLYSSAWMS-MKMNVTDBSA-N 0 0 598.216 6.762 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000100267489 554267672 /nfs/dbraw/zinc/26/76/72/554267672.db2.gz VNWAOBCMDLZEAJ-NNJIMWGHSA-N 0 0 531.637 7.122 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000100267668 554267985 /nfs/dbraw/zinc/26/79/85/554267985.db2.gz YYRJTVANYZNBKZ-INKCSCAPSA-N 0 0 519.985 6.371 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccc(C)cc1 ZINC000100269868 554268779 /nfs/dbraw/zinc/26/87/79/554268779.db2.gz DHWGXWRIHGXEQQ-KQWNVCNZSA-N 0 0 603.503 6.472 50 10 KKCARN COc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000100269873 554268831 /nfs/dbraw/zinc/26/88/31/554268831.db2.gz ASPXWZACCATQLK-KQWNVCNZSA-N 0 0 619.502 6.172 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1COc1ccc(Cl)cc1Cl ZINC000038205255 554274411 /nfs/dbraw/zinc/27/44/11/554274411.db2.gz NJPAOQVZVLLPMV-FMCGGJTJSA-N 0 0 516.471 6.982 50 10 KKCARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)o1 ZINC000100287037 554280907 /nfs/dbraw/zinc/28/09/07/554280907.db2.gz AHYCUBLVTWDVCG-KOEQRZSOSA-N 0 0 553.596 6.229 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100325181 554309241 /nfs/dbraw/zinc/30/92/41/554309241.db2.gz VWFKIQZRBXCYBO-HYARGMPZSA-N 0 0 555.475 5.881 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000100326151 554309983 /nfs/dbraw/zinc/30/99/83/554309983.db2.gz ISNHICZMONEQHM-LSHDLFTRSA-N 0 0 599.330 7.888 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000100338627 554322791 /nfs/dbraw/zinc/32/27/91/554322791.db2.gz AXQDACHAQFRUQT-LPYMAVHISA-N 0 0 541.492 6.454 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100339818 554324616 /nfs/dbraw/zinc/32/46/16/554324616.db2.gz ZFURLNCYZQNFDS-FSJBWODESA-N 0 0 609.394 8.448 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000100340154 554324949 /nfs/dbraw/zinc/32/49/49/554324949.db2.gz SZYJYWKYDSIYNN-HYARGMPZSA-N 0 0 555.475 5.881 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000050704726 554327622 /nfs/dbraw/zinc/32/76/22/554327622.db2.gz SOHCRBHNVYWTDF-JLPGSUDCSA-N 0 0 547.702 6.708 50 10 KKCARN Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000051103416 554329062 /nfs/dbraw/zinc/32/90/62/554329062.db2.gz SODQKAZOBVDZLA-UHFFFAOYSA-N 0 0 552.046 7.722 50 10 KKCARN COc1ccc(Cl)cc1CN1CCN(c2cc(Nc3ccc(F)cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000053254717 554330469 /nfs/dbraw/zinc/33/04/69/554330469.db2.gz OETSGJBMFQASRA-UHFFFAOYSA-N 0 0 569.036 6.906 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000053363023 554345778 /nfs/dbraw/zinc/34/57/78/554345778.db2.gz ACCLZQXCHVRKEH-URXFXBBRSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363674 554345797 /nfs/dbraw/zinc/34/57/97/554345797.db2.gz JFPWYBSYYOCSKL-RBBKRZOGSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363693 554346092 /nfs/dbraw/zinc/34/60/92/554346092.db2.gz JAKOTBZEDNFTNQ-UNMCSNQZSA-N 0 0 555.097 7.447 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363729 554346199 /nfs/dbraw/zinc/34/61/99/554346199.db2.gz GNYLJVMMFAHJJY-IRLDBZIGSA-N 0 0 565.103 6.902 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053363908 554346475 /nfs/dbraw/zinc/34/64/75/554346475.db2.gz JSXLROCUYBSPBK-FQRUVTKNSA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364051 554346478 /nfs/dbraw/zinc/34/64/78/554346478.db2.gz FEAXVVLFEZZYBU-WNCULLNHSA-N 0 0 509.444 6.347 50 10 KKCARN COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)cc1Br ZINC000053363935 554346505 /nfs/dbraw/zinc/34/65/05/554346505.db2.gz COUOFIUOWAZUGQ-YKSBVNFPSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053363914 554346508 /nfs/dbraw/zinc/34/65/08/554346508.db2.gz JSXLROCUYBSPBK-IBVKSMDESA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364283 554346697 /nfs/dbraw/zinc/34/66/97/554346697.db2.gz HZHMFJMWJFHTNW-PXDATVDWSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364220 554346694 /nfs/dbraw/zinc/34/66/94/554346694.db2.gz KABVVKWIZYDSGX-YIXXDRMTSA-N 0 0 525.443 6.183 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364149 554346707 /nfs/dbraw/zinc/34/67/07/554346707.db2.gz COWNNRCVZKUBLQ-OFVILXPXSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364306 554346958 /nfs/dbraw/zinc/34/69/58/554346958.db2.gz PYUNEZIHCYKYNM-VWNXMTODSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364312 554346990 /nfs/dbraw/zinc/34/69/90/554346990.db2.gz ASERXXSQARFFFL-RCZVLFRGSA-N 0 0 560.286 6.547 50 10 KKCARN COc1ccc(Br)cc1[C@H]1N=C(c2cccc(Br)c2)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000053364562 554347384 /nfs/dbraw/zinc/34/73/84/554347384.db2.gz FKLRUFGZGQXRQV-OFNKIYASSA-N 0 0 550.678 6.802 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1ccc(OC)c(OC)c1 ZINC000100366747 554352968 /nfs/dbraw/zinc/35/29/68/554352968.db2.gz YAXCKFVXULWEHB-UHFFFAOYSA-N 0 0 615.751 5.618 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100414184 554377913 /nfs/dbraw/zinc/37/79/13/554377913.db2.gz QETYVWJHHQUZBE-ACRUOGEOSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100414222 554378310 /nfs/dbraw/zinc/37/83/10/554378310.db2.gz UFARQHNQMCGYAC-BDTNDASRSA-N 0 0 540.786 5.338 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000100414484 554378932 /nfs/dbraw/zinc/37/89/32/554378932.db2.gz MAVJYUGKUNIXSN-QKDODKLFSA-N 0 0 584.411 6.481 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100415591 554381714 /nfs/dbraw/zinc/38/17/14/554381714.db2.gz QDQSFUMAWCMQIU-ACRUOGEOSA-N 0 0 560.311 5.707 50 10 KKCARN CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000059222157 554385918 /nfs/dbraw/zinc/38/59/18/554385918.db2.gz LYNSYULCZFTNKZ-SGWCAAJKSA-N 0 0 598.186 8.171 50 10 KKCARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000100425734 554387080 /nfs/dbraw/zinc/38/70/80/554387080.db2.gz GSXSTSJAJNIDQO-INJOXJOKSA-N 0 0 507.678 7.883 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000100501347 554405764 /nfs/dbraw/zinc/40/57/64/554405764.db2.gz HGADEBALAIOLJC-WAYQORIRSA-N 0 0 548.927 7.060 50 10 KKCARN CCOc1cc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000059603204 554409764 /nfs/dbraw/zinc/40/97/64/554409764.db2.gz XSKACZUEKBEXCU-UHFFFAOYSA-N 0 0 536.584 6.054 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100545447 554413686 /nfs/dbraw/zinc/41/36/86/554413686.db2.gz CLJNCHNVQGBLJJ-FBHDLOMBSA-N 0 0 543.966 6.363 50 10 KKCARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000059646060 554417203 /nfs/dbraw/zinc/41/72/03/554417203.db2.gz FXEBNUNYCFOAEN-MPCDZSKCSA-N 0 0 529.887 7.038 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(OC)c3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000059819294 554431017 /nfs/dbraw/zinc/43/10/17/554431017.db2.gz IXIFSWSBZLDRRN-UHFFFAOYSA-N 0 0 559.662 5.349 50 10 KKCARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000059819363 554431035 /nfs/dbraw/zinc/43/10/35/554431035.db2.gz BALKPWMYKSTYRN-FYJGNVAPSA-N 0 0 539.501 6.480 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)c3ccc(F)cc3)C(C)(C)C2=S)S1 ZINC000100634184 554435523 /nfs/dbraw/zinc/43/55/23/554435523.db2.gz MKZJOHQTBXDLIG-KRUMMXJUSA-N 0 0 575.752 8.024 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc([C@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100642129 554436017 /nfs/dbraw/zinc/43/60/17/554436017.db2.gz QBUXSCRSQWLXAQ-LPNYDJGQSA-N 0 0 541.073 6.349 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000100642167 554436290 /nfs/dbraw/zinc/43/62/90/554436290.db2.gz OTTXUCOOYGBBEO-ABTBVNDJSA-N 0 0 608.312 5.707 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc(Br)cc3)C2=N)S1 ZINC000100642251 554436345 /nfs/dbraw/zinc/43/63/45/554436345.db2.gz VIQFBYFCUINNQK-NWSLSDTJSA-N 0 0 578.286 5.699 50 10 KKCARN CC(C)(C)c1cc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc(C(C)(C)C)c1O ZINC000100666477 554439878 /nfs/dbraw/zinc/43/98/78/554439878.db2.gz WDYZZZUJKNQTLE-JCMHNJIXSA-N 0 0 590.214 8.829 50 10 KKCARN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]32)cc1 ZINC000100670201 554441335 /nfs/dbraw/zinc/44/13/35/554441335.db2.gz BLGZRELJJCUEBF-TZRRMPRUSA-N 0 0 534.395 5.812 50 10 KKCARN CCOC(=O)c1c(CSc2ccccc2)n(C2CCCCC2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000059844945 554448326 /nfs/dbraw/zinc/44/83/26/554448326.db2.gz KCDGLVHFKMAFFL-UHFFFAOYSA-N 0 0 545.543 7.145 50 10 KKCARN Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c1 ZINC000100711464 554453863 /nfs/dbraw/zinc/45/38/63/554453863.db2.gz XLIMZYBMXJVTOY-WPRPLIHDSA-N 0 0 526.618 5.459 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000100711565 554453881 /nfs/dbraw/zinc/45/38/81/554453881.db2.gz SKOHUXKEYPTODO-KUMDLULQSA-N 0 0 532.666 5.969 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000100711608 554453911 /nfs/dbraw/zinc/45/39/11/554453911.db2.gz JOFZVPBSJNQPNV-PTUGNLKHSA-N 0 0 533.437 5.879 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000100711640 554453926 /nfs/dbraw/zinc/45/39/26/554453926.db2.gz KPFIBEYTNXELMB-ICQDDBCESA-N 0 0 541.073 6.170 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000100711715 554454133 /nfs/dbraw/zinc/45/41/33/554454133.db2.gz FBEMSSUCZVVCBF-NKIPCUOMSA-N 0 0 547.464 6.187 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000100727334 554457716 /nfs/dbraw/zinc/45/77/16/554457716.db2.gz CNNUDQWMUBHBKD-BVAGGSTKSA-N 0 0 550.250 7.313 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(I)c1 ZINC000100755621 554467052 /nfs/dbraw/zinc/46/70/52/554467052.db2.gz CBLXEXXFDOKIJH-BOPFTXTBSA-N 0 0 542.851 5.565 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCCC(C)C ZINC000100761098 554467772 /nfs/dbraw/zinc/46/77/72/554467772.db2.gz NMXVMBSCLALEGM-USHMODERSA-N 0 0 545.774 7.807 50 10 KKCARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000100762531 554468329 /nfs/dbraw/zinc/46/83/29/554468329.db2.gz OZLPBHTTXSCZRA-QXXHGPKRSA-N 0 0 529.643 5.013 50 10 KKCARN Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000100762662 554468455 /nfs/dbraw/zinc/46/84/55/554468455.db2.gz ZDFGYRWATAQNMY-JLPGSUDCSA-N 0 0 526.687 5.367 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000100774726 554471930 /nfs/dbraw/zinc/47/19/30/554471930.db2.gz LXJNLVIOGODTBB-MKPYTUQKSA-N 0 0 530.049 6.930 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000100782528 554472537 /nfs/dbraw/zinc/47/25/37/554472537.db2.gz DUNIIOURMSMXRR-MRCUWXFGSA-N 0 0 543.548 5.055 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000100788155 554472715 /nfs/dbraw/zinc/47/27/15/554472715.db2.gz PKIZYHUMHWIHMJ-VVNJJRPXSA-N 0 0 519.985 6.371 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000100797172 554473952 /nfs/dbraw/zinc/47/39/52/554473952.db2.gz IYKBGRNWBLLMQG-VVNJJRPXSA-N 0 0 536.440 6.885 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)cc1C ZINC000100837479 554484314 /nfs/dbraw/zinc/48/43/14/554484314.db2.gz KVNFBGZMJDRCRF-APBDUYOPSA-N 0 0 561.817 8.444 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000100837416 554484366 /nfs/dbraw/zinc/48/43/66/554484366.db2.gz GXXDLDRCHPOERO-RRAHZORUSA-N 0 0 607.761 6.532 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837976 554484917 /nfs/dbraw/zinc/48/49/17/554484917.db2.gz VOWAAKVMZAQUBY-BRPDVVIDSA-N 0 0 588.198 8.553 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)SC2=S)cc1OC ZINC000100838057 554485136 /nfs/dbraw/zinc/48/51/36/554485136.db2.gz HPOLKJXVMFEGTE-FSGOGVSDSA-N 0 0 599.778 7.096 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000100838063 554485140 /nfs/dbraw/zinc/48/51/40/554485140.db2.gz HTOITQQHCPGSIE-VUMGZPTDSA-N 0 0 588.154 7.152 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1Cc1ccccc1 ZINC000100838039 554485190 /nfs/dbraw/zinc/48/51/90/554485190.db2.gz WDXNPCQBJIFGHM-FSGOGVSDSA-N 0 0 594.161 8.173 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000100838417 554485925 /nfs/dbraw/zinc/48/59/25/554485925.db2.gz BRYPSIAWMFAFNR-APBDUYOPSA-N 0 0 561.817 8.382 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1C ZINC000100838579 554486123 /nfs/dbraw/zinc/48/61/23/554486123.db2.gz LWKFZEDDBJYUEE-COEJQBHMSA-N 0 0 599.778 7.098 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838517 554486238 /nfs/dbraw/zinc/48/62/38/554486238.db2.gz VATSYIPQVKVCRV-PVWQUUJCSA-N 0 0 616.252 9.189 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000100838532 554486258 /nfs/dbraw/zinc/48/62/58/554486258.db2.gz MVRFPMLSEWENGT-IMRQLAEWSA-N 0 0 543.689 7.259 50 10 KKCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)C[C@H](C)O1 ZINC000100838918 554486702 /nfs/dbraw/zinc/48/67/02/554486702.db2.gz OCTYGOFTGQPKGB-GORZKMDOSA-N 0 0 568.674 6.337 50 10 KKCARN CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)CC1 ZINC000100838902 554486727 /nfs/dbraw/zinc/48/67/27/554486727.db2.gz QHNPAWUDLZRQDP-CEUNXORHSA-N 0 0 569.130 7.474 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 ZINC000100838937 554486750 /nfs/dbraw/zinc/48/67/50/554486750.db2.gz NHFAKQBUDDZTEZ-IMRQLAEWSA-N 0 0 540.620 5.560 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000100839706 554487603 /nfs/dbraw/zinc/48/76/03/554487603.db2.gz UYFLZQZHJANCQP-HFTWOUSFSA-N 0 0 545.774 8.032 50 10 KKCARN C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)C1 ZINC000100839855 554488043 /nfs/dbraw/zinc/48/80/43/554488043.db2.gz 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554712306 /nfs/dbraw/zinc/71/23/06/554712306.db2.gz VELWNFJYZUGTTQ-UHFFFAOYSA-N 0 0 604.691 7.869 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1OC ZINC000101331165 554731737 /nfs/dbraw/zinc/73/17/37/554731737.db2.gz OSQKKOGZWMPKBI-JLPGSUDCSA-N 0 0 550.614 5.275 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101344325 554736667 /nfs/dbraw/zinc/73/66/67/554736667.db2.gz YYBFONXIOKNSMW-IDZRBWSNSA-N 0 0 529.567 6.151 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000101344444 554736939 /nfs/dbraw/zinc/73/69/39/554736939.db2.gz NFVXUDNIZAEIEZ-NGDRWEMDSA-N 0 0 548.013 7.104 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101344791 554737086 /nfs/dbraw/zinc/73/70/86/554737086.db2.gz RWSVSQFDSVZUJJ-ULNSLHSMSA-N 0 0 549.548 7.022 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101344788 554737089 /nfs/dbraw/zinc/73/70/89/554737089.db2.gz BCEAGWKEALXRHU-NLDZOOGBSA-N 0 0 533.986 6.795 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356287 554740049 /nfs/dbraw/zinc/74/00/49/554740049.db2.gz WVSLVQNFZHVPBN-HSZRJFAPSA-N 0 0 590.771 5.304 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356949 554740487 /nfs/dbraw/zinc/74/04/87/554740487.db2.gz NRHCNKAVPWSXLQ-XMMPIXPASA-N 0 0 576.763 5.580 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000101356872 554740550 /nfs/dbraw/zinc/74/05/50/554740550.db2.gz WYSIGVYHRQBKQY-QFIPXVFZSA-N 0 0 550.725 5.046 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101377512 554746925 /nfs/dbraw/zinc/74/69/25/554746925.db2.gz IZGRTGFPNJNPKR-WGOQTCKBSA-N 0 0 598.563 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555.699 5.519 50 10 KKCARN Cc1ccccc1[C@H]1N(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccccc2C)C12C(=O)c1ccccc1C2=O ZINC000101452791 554775823 /nfs/dbraw/zinc/77/58/23/554775823.db2.gz QGUHIMVNUYHLME-KKLWWLSJSA-N 0 0 587.675 7.532 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101481855 554784326 /nfs/dbraw/zinc/78/43/26/554784326.db2.gz YPIINWIWFSQQES-PWRODBHTSA-N 0 0 525.866 5.054 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(/C=C4\Sc5ccccc5N(Cc5cc(C)ccc5C)C4=O)cc3)CC2)cc1 ZINC000101506516 554790430 /nfs/dbraw/zinc/79/04/30/554790430.db2.gz FVFCBXBEZSPSHQ-XSVYLIDLSA-N 0 0 589.761 6.954 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590387 554802483 /nfs/dbraw/zinc/80/24/83/554802483.db2.gz HFTXTZBLQVGJSF-AYQJTBPPSA-N 0 0 557.577 6.067 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590346 554802485 /nfs/dbraw/zinc/80/24/85/554802485.db2.gz WOTFNLWOXQSANK-AYQJTBPPSA-N 0 0 607.584 6.947 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(C)=O ZINC000101598085 554803683 /nfs/dbraw/zinc/80/36/83/554803683.db2.gz AAQCXDOUQSWSBI-UODIDJSMSA-N 0 0 546.406 5.941 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(Cl)c1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000101622636 554810007 /nfs/dbraw/zinc/81/00/07/554810007.db2.gz WSZQWZQXEQSQFE-GDLZYMKVSA-N 0 0 537.067 6.828 50 10 KKCARN CCOc1ccccc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101622873 554810298 /nfs/dbraw/zinc/81/02/98/554810298.db2.gz ABEVNPHIOSCQJW-HKBQPEDESA-N 0 0 546.675 6.573 50 10 KKCARN CCOc1ccc(NC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000101622879 554810337 /nfs/dbraw/zinc/81/03/37/554810337.db2.gz RSPNQEDCEULKAD-HKBQPEDESA-N 0 0 546.675 6.573 50 10 KKCARN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000101665329 554822416 /nfs/dbraw/zinc/82/24/16/554822416.db2.gz RIOYVOROFJKDDI-YSMPRRRNSA-N 0 0 566.574 5.029 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101671027 554824442 /nfs/dbraw/zinc/82/44/42/554824442.db2.gz LNGOJRBOVGDPMW-YTCPBCGMSA-N 0 0 582.077 6.735 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000101670935 554824456 /nfs/dbraw/zinc/82/44/56/554824456.db2.gz ZCQWMYDMTMWCKJ-YKILCQELSA-N 0 0 555.630 6.329 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101671633 554825108 /nfs/dbraw/zinc/82/51/08/554825108.db2.gz XGFQQEFJPARAQM-OIFRRMEBSA-N 0 0 556.574 5.920 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000101672110 554825527 /nfs/dbraw/zinc/82/55/27/554825527.db2.gz MIUULNHRMXJTIG-HZFUHODCSA-N 0 0 561.435 6.160 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101672232 554825808 /nfs/dbraw/zinc/82/58/08/554825808.db2.gz JDFZMWFGEAHRTK-OIFRRMEBSA-N 0 0 606.074 6.682 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101672762 554826325 /nfs/dbraw/zinc/82/63/25/554826325.db2.gz DYMQNJXOMCFGCH-DYIKCSJPSA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000101672863 554826450 /nfs/dbraw/zinc/82/64/50/554826450.db2.gz DWHMVVAOWJOJBL-ODTVBPJYSA-N 0 0 592.651 6.568 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101672930 554826477 /nfs/dbraw/zinc/82/64/77/554826477.db2.gz LDBNYVGOHLMBLS-MJSOWUPRSA-N 0 0 590.075 6.982 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(C)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000101672899 554826484 /nfs/dbraw/zinc/82/64/84/554826484.db2.gz NYEVIRDTHGCRLA-OWHBQTKESA-N 0 0 574.076 7.363 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101672934 554826489 /nfs/dbraw/zinc/82/64/89/554826489.db2.gz LDBNYVGOHLMBLS-RWSKJCERSA-N 0 0 590.075 6.982 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101673961 554827342 /nfs/dbraw/zinc/82/73/42/554827342.db2.gz YIXIEZKOHMTYHW-WSZLSEGOSA-N 0 0 592.651 6.568 50 10 KKCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000101673844 554827365 /nfs/dbraw/zinc/82/73/65/554827365.db2.gz MAXLKOXYEMAQBY-PCLIKHOPSA-N 0 0 563.448 5.911 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101673905 554827410 /nfs/dbraw/zinc/82/74/10/554827410.db2.gz 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VUTCNCGEGZKXFZ-MLXNANBUSA-N 0 0 566.202 5.217 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc(Br)o3)CC2)cc1 ZINC000101917228 554850582 /nfs/dbraw/zinc/85/05/82/554850582.db2.gz MZDBEOJKBJVHFV-UHFFFAOYSA-N 0 0 524.371 5.012 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1 ZINC000101917258 554850635 /nfs/dbraw/zinc/85/06/35/554850635.db2.gz NWKSPKQFVXFMIW-UHFFFAOYSA-N 0 0 540.551 5.450 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)N(C)Cc5ccccc5)c4)n3)CC2)cc1 ZINC000101954165 554853012 /nfs/dbraw/zinc/85/30/12/554853012.db2.gz MZXYDMRJGAPEEF-UHFFFAOYSA-N 0 0 595.813 6.674 50 10 KKCARN CCN(CC)c1ccc([C@@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)c(OCc2c(F)cccc2Cl)c1 ZINC000102182445 554893821 /nfs/dbraw/zinc/89/38/21/554893821.db2.gz HZYFOPGNWFLYMO-MHZLTWQESA-N 0 0 530.427 6.797 50 10 KKCARN COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(O)c2)c(OC)c1 ZINC000102440374 554929451 /nfs/dbraw/zinc/92/94/51/554929451.db2.gz YTRFOBIHDANGNI-SSEXGKCCSA-N 0 0 572.625 6.404 50 10 KKCARN COC(=O)c1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000102496274 554940792 /nfs/dbraw/zinc/94/07/92/554940792.db2.gz LPZFVDJEKFWFOX-MUUNZHRXSA-N 0 0 540.689 6.407 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102544912 554958772 /nfs/dbraw/zinc/95/87/72/554958772.db2.gz AUAFJXSRKWXSFS-IDZRBWSNSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102547324 554959694 /nfs/dbraw/zinc/95/96/94/554959694.db2.gz WXCPSTBGKXECPT-MJSOWUPRSA-N 0 0 594.038 6.813 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102550575 554961776 /nfs/dbraw/zinc/96/17/76/554961776.db2.gz HXKDIVHBNWKENG-JFHPUIQFSA-N 0 0 560.049 6.973 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2cccc(OC)c2)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102551728 554962283 /nfs/dbraw/zinc/96/22/83/554962283.db2.gz ZQDDTMWRHJUJMG-IWWXRALLSA-N 0 0 573.620 6.549 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102552603 554962839 /nfs/dbraw/zinc/96/28/39/554962839.db2.gz BRAMNYTZUZGZFO-JFHPUIQFSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccccc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102593488 554974737 /nfs/dbraw/zinc/97/47/37/554974737.db2.gz QXPKSXVHTNNHRQ-PMERELPUSA-N 0 0 532.648 6.183 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000102617612 554985005 /nfs/dbraw/zinc/98/50/05/554985005.db2.gz IDTAUJCPPAEJRW-YPKVGQCMSA-N 0 0 591.969 6.636 50 10 KKCARN COCCCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000102617643 554985035 /nfs/dbraw/zinc/98/50/35/554985035.db2.gz AYYRCKRPELUMLD-UIRWJGRMSA-N 0 0 549.885 5.022 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1O[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000102618435 554985328 /nfs/dbraw/zinc/98/53/28/554985328.db2.gz JLOMPGWRGFEKLC-BXDIUNCMSA-N 0 0 597.929 6.195 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000102619734 554986251 /nfs/dbraw/zinc/98/62/51/554986251.db2.gz IYQPJDOHELOJJF-GZQZNAIASA-N 0 0 550.510 6.808 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)c(C)c1 ZINC000102622266 554987439 /nfs/dbraw/zinc/98/74/39/554987439.db2.gz HWHTVJHYQHWVNH-BGDIREAQSA-N 0 0 612.799 8.914 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102627344 554988247 /nfs/dbraw/zinc/98/82/47/554988247.db2.gz SWIKTGVFLMYNKU-YKILCQELSA-N 0 0 571.629 6.029 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000102626105 554988272 /nfs/dbraw/zinc/98/82/72/554988272.db2.gz OFVFCZYLNLKYDK-SSBOKUKZSA-N 0 0 594.892 7.419 50 10 KKCARN Cc1ccc(C)c(OCCCn2cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000102648174 554993782 /nfs/dbraw/zinc/99/37/82/554993782.db2.gz DLPAGEIJYPNQNB-ARSUQUCFSA-N 0 0 579.751 7.237 50 10 KKCARN Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000102660265 555000218 /nfs/dbraw/zinc/00/02/18/555000218.db2.gz XNUFZVZRNDDRJU-IMUCPKNRSA-N 0 0 593.108 6.288 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000102679526 555005082 /nfs/dbraw/zinc/00/50/82/555005082.db2.gz MWVMUEWBTAXOFU-XIEYBQDHSA-N 0 0 602.763 6.098 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)C3=C2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1OC ZINC000102779931 555065368 /nfs/dbraw/zinc/06/53/68/555065368.db2.gz YPIZZNVBODQUSA-FVQUOCSTSA-N 0 0 593.477 6.939 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C3=C2C(=O)N(c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 ZINC000102780173 555065877 /nfs/dbraw/zinc/06/58/77/555065877.db2.gz BPWNHHOJBQUKLA-RMNLPTLGSA-N 0 0 527.580 6.684 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OC)ccc3N(C(=O)c3cccc(F)c3)C(C)(C)C2=S)S1 ZINC000102785477 555067513 /nfs/dbraw/zinc/06/75/13/555067513.db2.gz GCLZJKPAKLZJCI-UHFFFAOYSA-N 0 0 587.716 6.130 50 10 KKCARN CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000102808247 555073786 /nfs/dbraw/zinc/07/37/86/555073786.db2.gz DYXAVASMACJLPD-XZOQPEGZSA-N 0 0 504.671 6.400 50 10 biogenic KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1 ZINC000102832845 555079325 /nfs/dbraw/zinc/07/93/25/555079325.db2.gz YSDBSIPWVUAAOU-LJQANCHMSA-N 0 0 581.537 7.187 50 10 KKCARN C[C@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)C1 ZINC000102833332 555079516 /nfs/dbraw/zinc/07/95/16/555079516.db2.gz JLIUSQZHWCALQI-GQXLBWHRSA-N 0 0 569.130 7.474 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CC(C)(C)C ZINC000102846929 555084289 /nfs/dbraw/zinc/08/42/89/555084289.db2.gz IFSDTOLBQQKIQC-OAQYLSRUSA-N 0 0 545.746 5.822 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000102851039 555085816 /nfs/dbraw/zinc/08/58/16/555085816.db2.gz MCYWDHNHCKGPRN-NRFANRHFSA-N 0 0 559.128 6.403 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102869659 555099168 /nfs/dbraw/zinc/09/91/68/555099168.db2.gz RTFOKEKRKGDUTN-IWWXRALLSA-N 0 0 555.630 6.329 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102884066 555112869 /nfs/dbraw/zinc/11/28/69/555112869.db2.gz OXHCSCDRLLXRHH-MJSOWUPRSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102884552 555113910 /nfs/dbraw/zinc/11/39/10/555113910.db2.gz YBJZIGQMHHUFBO-MJSOWUPRSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102885859 555116109 /nfs/dbraw/zinc/11/61/09/555116109.db2.gz YTNBWOUSBKXNFJ-JCYYIGJDSA-N 0 0 556.058 6.406 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102889486 555123779 /nfs/dbraw/zinc/12/37/79/555123779.db2.gz FWIGCQTZFMZWGO-WRVRXEDSSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102889914 555124394 /nfs/dbraw/zinc/12/43/94/555124394.db2.gz KRRHLOMGJVXHKI-DYIKCSJPSA-N 0 0 564.012 6.804 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000102893836 555131659 /nfs/dbraw/zinc/13/16/59/555131659.db2.gz WEVWTHCJRFFBRN-YTCPBCGMSA-N 0 0 594.545 6.930 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102895468 555134260 /nfs/dbraw/zinc/13/42/60/555134260.db2.gz DCSGPQSKPVQVDX-RTOKGZNSSA-N 0 0 589.619 6.168 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000102895716 555134937 /nfs/dbraw/zinc/13/49/37/555134937.db2.gz ASTJLJCZELZDQM-MJSOWUPRSA-N 0 0 570.601 6.310 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102896217 555135929 /nfs/dbraw/zinc/13/59/29/555135929.db2.gz FVETZJSMPUVHLC-JFHPUIQFSA-N 0 0 573.620 6.468 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896894 555137278 /nfs/dbraw/zinc/13/72/78/555137278.db2.gz PZOLZTXIMPXAJR-IWWXRALLSA-N 0 0 590.075 6.982 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000102898257 555138468 /nfs/dbraw/zinc/13/84/68/555138468.db2.gz CJSXBFHBKAQADD-NGDRWEMDSA-N 0 0 582.458 7.757 50 10 KKCARN Cc1cc(C(=O)Cn2nc(C(=O)OCC(=O)Nc3ccc(C)cc3)c3ccccc3c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000102909095 555141942 /nfs/dbraw/zinc/14/19/42/555141942.db2.gz BCDSYYZSSJPCAE-UHFFFAOYSA-N 0 0 576.653 5.408 50 10 KKCARN Cc1ccc([C@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000102934927 555162182 /nfs/dbraw/zinc/16/21/82/555162182.db2.gz FIPWUMRMUBIKSU-KKLWWLSJSA-N 0 0 587.675 7.532 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(I)cc1 ZINC000102943243 555170835 /nfs/dbraw/zinc/17/08/35/555170835.db2.gz ADGFLCNQMQZCQS-ATVHPVEESA-N 0 0 574.412 5.513 50 10 KKCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103038272 555223892 /nfs/dbraw/zinc/22/38/92/555223892.db2.gz SMSLWOHWEFEMOS-XMMPIXPASA-N 0 0 545.537 5.041 50 10 KKCARN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103053747 555235403 /nfs/dbraw/zinc/23/54/03/555235403.db2.gz VVTXQJATQVBHJP-UHFFFAOYSA-N 0 0 592.595 5.932 50 10 KKCARN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OCc1c(C)noc1C ZINC000103057210 555238207 /nfs/dbraw/zinc/23/82/07/555238207.db2.gz UFUJADUBQKVFJU-UHFFFAOYSA-N 0 0 532.549 5.055 50 10 KKCARN Cc1cc(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103059539 555239968 /nfs/dbraw/zinc/23/99/68/555239968.db2.gz MUOZEWCTIDWJDN-UHFFFAOYSA-N 0 0 523.433 5.908 50 10 KKCARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103067621 555247843 /nfs/dbraw/zinc/24/78/43/555247843.db2.gz LAPRFRMISAWPDR-UHFFFAOYSA-N 0 0 632.649 7.394 50 10 KKCARN CCCn1c(=O)c2c(nc1SCC(=O)c1cc(C)n(-c3ccc(Cl)c(Cl)c3)c1C)sc1c2CCC1 ZINC000103069761 555250359 /nfs/dbraw/zinc/25/03/59/555250359.db2.gz UMEVRJBZVMYPDC-UHFFFAOYSA-N 0 0 546.545 7.046 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CN(Cc4ccc(F)cc4)Cc4cccc(Cl)c4)n3)CC2)cc1 ZINC000103074900 555254677 /nfs/dbraw/zinc/25/46/77/555254677.db2.gz HVPAWLUKVWVDLP-UHFFFAOYSA-N 0 0 565.114 6.109 50 10 KKCARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103082603 555261542 /nfs/dbraw/zinc/26/15/42/555261542.db2.gz CMFGLEATJDYJCW-FQEVSTJZSA-N 0 0 559.047 5.284 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C)c2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103099328 555276837 /nfs/dbraw/zinc/27/68/37/555276837.db2.gz WKSCQEGQGXNCCK-UHFFFAOYSA-N 0 0 601.725 5.515 50 10 KKCARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103099945 555277660 /nfs/dbraw/zinc/27/76/60/555277660.db2.gz RJIRZZGJUBZPPP-UHFFFAOYSA-N 0 0 581.544 5.901 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000103113791 555286878 /nfs/dbraw/zinc/28/68/78/555286878.db2.gz JRLZALZWXRACBO-UHFFFAOYSA-N 0 0 555.970 5.350 50 10 KKCARN Cc1cc(C(=O)COC(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103115656 555287737 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571369485 /nfs/dbraw/zinc/36/94/85/571369485.db2.gz AQGQCGNDIJJAQN-UCQKPKSFSA-N 0 0 550.683 5.743 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000103924744 571369939 /nfs/dbraw/zinc/36/99/39/571369939.db2.gz CNNUDQWMUBHBKD-JYFHCDHNSA-N 0 0 550.250 7.313 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000104010796 571371154 /nfs/dbraw/zinc/37/11/54/571371154.db2.gz DPKSVQWZSYDPMD-QPWMFTQFSA-N 0 0 577.036 6.162 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000104071697 571372201 /nfs/dbraw/zinc/37/22/01/571372201.db2.gz CAFHKVPKLXHPRQ-ULNSLHSMSA-N 0 0 567.538 7.161 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000104444578 571381001 /nfs/dbraw/zinc/38/10/01/571381001.db2.gz FGNZEHJDFVKBHN-XHPQRKPJSA-N 0 0 612.114 8.115 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCc4cccs4)[C@@H]3C2)cc1 ZINC000104919664 571387762 /nfs/dbraw/zinc/38/77/62/571387762.db2.gz QYKBNSDLIJMOHE-NOZRDPDXSA-N 0 0 515.601 5.002 50 10 KKCARN CCN1C(=O)/C(=C\C=C2\N(CC)c3cc(-c4nc(C)cs4)ccc3N2c2ccccc2)SC1=S ZINC000105281577 571392545 /nfs/dbraw/zinc/39/25/45/571392545.db2.gz VYSOUSKIMINCTQ-HCRUVJSOSA-N 0 0 504.706 6.702 50 10 KKCARN O=C(c1ccccc1)c1cc(Cl)ccc1NC=C1N=C(C(F)(F)F)N(c2nc3ccccc3s2)C1=O ZINC000105402093 571404690 /nfs/dbraw/zinc/40/46/90/571404690.db2.gz QUGCVGWTLKRHOH-UYRXBGFRSA-N 0 0 526.927 6.442 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000105628647 571407963 /nfs/dbraw/zinc/40/79/63/571407963.db2.gz LONDAVUPWSLWKZ-WGARJPEWSA-N 0 0 596.955 8.249 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000105795909 571408724 /nfs/dbraw/zinc/40/87/24/571408724.db2.gz JZVDVQNKEHPSOA-SLGZMBILSA-N 0 0 585.656 6.337 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000105981313 571409805 /nfs/dbraw/zinc/40/98/05/571409805.db2.gz ZVBZYHXVVSOVDM-QRVIBDJDSA-N 0 0 585.501 5.890 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000106021101 571410907 /nfs/dbraw/zinc/41/09/07/571410907.db2.gz WOKIQPUVJPPJIL-YTCPBCGMSA-N 0 0 551.976 6.935 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2F)[C@H]1C(=O)c1ccccc1 ZINC000106535345 571412885 /nfs/dbraw/zinc/41/28/85/571412885.db2.gz XYBWKYZIKQIYAG-DTXPUJKBSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000107178947 571419825 /nfs/dbraw/zinc/41/98/25/571419825.db2.gz XKISLGIZBXJDDO-UZEJHQAJSA-N 0 0 519.881 7.583 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2Cl)[C@H]1C(=O)c1ccccc1 ZINC000107175982 571419850 /nfs/dbraw/zinc/41/98/50/571419850.db2.gz QGSJULWCRBDURP-DTXPUJKBSA-N 0 0 530.023 6.965 50 10 KKCARN CC(C)c1ccc(COc2cccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c2)cc1 ZINC000108449462 571424658 /nfs/dbraw/zinc/42/46/58/571424658.db2.gz WGBFTHIHHTWIGP-HSZRJFAPSA-N 0 0 580.589 6.426 50 10 biogenic KKCARN Cc1ccc(C)n1-c1c(Cl)cc(Cl)cc1C(=O)O[C@@H](C)c1c(C)ccc(C)c1-c1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1 ZINC000150346727 571460579 /nfs/dbraw/zinc/46/05/79/571460579.db2.gz QMCMGZMPMFBRBQ-IBGZPJMESA-N 0 0 628.383 9.751 50 10 KKCARN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150350770 571462032 /nfs/dbraw/zinc/46/20/32/571462032.db2.gz MGPQCSWXTWOEDL-YSMPRRRNSA-N 0 0 640.987 6.034 50 10 KKCARN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150350767 571462062 /nfs/dbraw/zinc/46/20/62/571462062.db2.gz PZZVYPIIAGZYCS-DICXZTSXSA-N 0 0 640.987 6.034 50 10 KKCARN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc4scc(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)c1 ZINC000150352283 571462453 /nfs/dbraw/zinc/46/24/53/571462453.db2.gz YZWPTKJSHFGBJB-UHFFFAOYSA-N 0 0 663.777 7.070 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000150353613 571462803 /nfs/dbraw/zinc/46/28/03/571462803.db2.gz QPGGZBKNVOKVCH-ITYLOYPMSA-N 0 0 659.611 7.457 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150368684 571465557 /nfs/dbraw/zinc/46/55/57/571465557.db2.gz SDIGYZLSDNNQNC-FQKMCRJQSA-N 0 0 671.988 5.772 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000150385280 571468642 /nfs/dbraw/zinc/46/86/42/571468642.db2.gz UWIVJSKQIKVXRJ-DHRITJCHSA-N 0 0 641.569 6.627 50 10 KKCARN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000150388706 571471116 /nfs/dbraw/zinc/47/11/16/571471116.db2.gz NGDKWNCYGOERQS-RQZCQDPDSA-N 0 0 621.303 6.317 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150390418 571472680 /nfs/dbraw/zinc/47/26/80/571472680.db2.gz VFIVPQMBZJGFFE-WPWMEQJKSA-N 0 0 653.563 7.837 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150401068 571478222 /nfs/dbraw/zinc/47/82/22/571478222.db2.gz DZJNKHGHERYKQT-QQMBNGEASA-N 0 0 666.627 6.149 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150406959 571480054 /nfs/dbraw/zinc/48/00/54/571480054.db2.gz HBPYUPLAFZKIIS-DDBFQISPSA-N 0 0 676.633 5.605 50 10 KKCARN Nc1c(C(=O)c2ccc(Cl)c(Cl)c2)sc(Nc2ccc(OC(F)F)cc2)c1-c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000150430945 571493314 /nfs/dbraw/zinc/49/33/14/571493314.db2.gz JCHHSLAAPPBVBE-UHFFFAOYSA-N 0 0 657.530 7.297 50 10 KKCARN Nc1c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(Nc2ccc(OC(F)F)cc2)c1-c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000150431113 571493549 /nfs/dbraw/zinc/49/35/49/571493549.db2.gz CZSLULJNDOYUFL-UHFFFAOYSA-N 0 0 668.082 6.552 50 10 KKCARN CCN(CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000150433570 571494510 /nfs/dbraw/zinc/49/45/10/571494510.db2.gz CJVCMLCRDAZDKU-YTTGMZPUSA-N 0 0 646.593 8.290 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)SC1=S)Nc1ccccc1 ZINC000150436327 571496167 /nfs/dbraw/zinc/49/61/67/571496167.db2.gz JORRLHAEHNJWNL-OCEACIFDSA-N 0 0 640.878 6.317 50 10 KKCARN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)SC1=S)N1CC[C@H](c2ccccc2)C1 ZINC000150449560 571501917 /nfs/dbraw/zinc/50/19/17/571501917.db2.gz UYFPBMFDGJGYIQ-HIVOKIACSA-N 0 0 692.954 5.511 50 10 KKCARN O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)SC1=S)N1CC[C@H](c2ccccc2)C1 ZINC000150449564 571501935 /nfs/dbraw/zinc/50/19/35/571501935.db2.gz UYFPBMFDGJGYIQ-GLISXSIZSA-N 0 0 692.954 5.511 50 10 KKCARN Cc1ccc([C@@H]2C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C)cc3)N(c3ccc(C(F)(F)F)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000150460035 571505862 /nfs/dbraw/zinc/50/58/62/571505862.db2.gz LSACYRKQZZPVBA-NOCHOARKSA-N 0 0 655.672 8.551 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000150474025 571510338 /nfs/dbraw/zinc/51/03/38/571510338.db2.gz VQQQAEBHUOQRJB-ACHIHNKUSA-N 0 0 649.615 6.732 50 10 KKCARN CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CC[C@H](C)C5)c2C)c1 ZINC000150474350 571510530 /nfs/dbraw/zinc/51/05/30/571510530.db2.gz MNOBUCRKJFNBOB-NRFANRHFSA-N 0 0 683.852 7.308 50 10 KKCARN CC(C)(C)c1ccc([C@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(C(C)(C)C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000150480479 571512142 /nfs/dbraw/zinc/51/21/42/571512142.db2.gz HOXKLHYVVVYZIM-QPPIDDCLSA-N 0 0 671.837 9.510 50 10 KKCARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)c2)cc1 ZINC000150482344 571513139 /nfs/dbraw/zinc/51/31/39/571513139.db2.gz VJRGQCSRWGVXND-RMXJBNMXSA-N 0 0 634.714 6.979 50 10 KKCARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000150495381 571517727 /nfs/dbraw/zinc/51/77/27/571517727.db2.gz AWZGXMOMJZQOLG-UHFFFAOYSA-N 0 0 631.507 8.651 50 10 KKCARN O=C(C(=O)c1ccc(Oc2ccc(-c3nnc(-c4ccc(Oc5ccc(C(=O)C(=O)c6ccccc6)cc5)cc4)o3)cc2)cc1)c1ccccc1 ZINC000150497584 571518222 /nfs/dbraw/zinc/51/82/22/571518222.db2.gz FTADVLCMRLLDLV-UHFFFAOYSA-N 0 0 670.677 9.119 50 10 KKCARN COc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)n(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3C)c3ccccc3n2)cc1 ZINC000150508932 571519697 /nfs/dbraw/zinc/51/96/97/571519697.db2.gz KDNVKZCMUQHUPL-UHFFFAOYSA-N 0 0 639.730 5.379 50 10 KKCARN CCOc1c(I)cc(I)cc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000150609296 571522885 /nfs/dbraw/zinc/52/28/85/571522885.db2.gz SUIMYLYJZYJPMU-AUWJEWJLSA-N 0 0 627.047 6.407 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1Br ZINC000150612537 571523026 /nfs/dbraw/zinc/52/30/26/571523026.db2.gz XBBCZDFDLRNOHW-WPWMEQJKSA-N 0 0 636.593 6.772 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000150620574 571523373 /nfs/dbraw/zinc/52/33/73/571523373.db2.gz DYGVNICADDEXOK-STZFKDTASA-N 0 0 632.736 6.779 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(O)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000158686598 571529661 /nfs/dbraw/zinc/52/96/61/571529661.db2.gz QGOYXJOBSXEVOS-SLMZUGIISA-N 0 0 691.806 6.285 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4ccccc4nc4c3CCCC4=Cc3ccc(OC)c(OC)c3)c2C)cc1 ZINC000159466776 571530391 /nfs/dbraw/zinc/53/03/91/571530391.db2.gz BOCHLQPJMLOIJA-OOAXWGSJSA-N 0 0 644.724 7.363 50 10 KKCARN Cc1cc(C2(c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)Nc3ccc(Br)cc32)c(C)n1-c1ccc(I)cc1 ZINC000160764014 571530771 /nfs/dbraw/zinc/53/07/71/571530771.db2.gz WFOAFGANRCVPPU-UHFFFAOYSA-N 0 0 802.292 8.760 50 10 KKCARN O=C1/C(=C\c2ccccc2I)SC(=S)N1c1ccccc1Br ZINC000211089700 571576209 /nfs/dbraw/zinc/57/62/09/571576209.db2.gz NLWISMZIMXAQPC-NTEUORMPSA-N 0 0 502.196 5.460 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227070181 572149077 /nfs/dbraw/zinc/14/90/77/572149077.db2.gz QWFKXRMSQNCQPN-NXCFDTQHSA-N 0 0 564.896 7.695 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000227234652 572151869 /nfs/dbraw/zinc/15/18/69/572151869.db2.gz WXJRMTAAGUWUDF-QAXCHELISA-N 0 0 571.629 6.029 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000227244616 572152765 /nfs/dbraw/zinc/15/27/65/572152765.db2.gz HFTXTZBLQVGJSF-YPKYBTACSA-N 0 0 557.577 6.067 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229591911 572154572 /nfs/dbraw/zinc/15/45/72/572154572.db2.gz JYMJWURAJYXCMG-JBOQNHBVSA-N 0 0 556.574 5.920 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000229597093 572155060 /nfs/dbraw/zinc/15/50/60/572155060.db2.gz ZCQWMYDMTMWCKJ-QAXCHELISA-N 0 0 555.630 6.329 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229598543 572155221 /nfs/dbraw/zinc/15/52/21/572155221.db2.gz BUMVCFYLKHBJOJ-NHKHRBQYSA-N 0 0 605.444 6.674 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229623951 572157714 /nfs/dbraw/zinc/15/77/14/572157714.db2.gz MBCLLPFLPMTNMW-YPKYBTACSA-N 0 0 539.587 5.928 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229629710 572158469 /nfs/dbraw/zinc/15/84/69/572158469.db2.gz VVSGPPFNYKCHIX-CPCREDONSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229815741 572160243 /nfs/dbraw/zinc/16/02/43/572160243.db2.gz DPNATJNYDNJTBA-OJDZSJEKSA-N 0 0 541.603 6.020 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229867807 572162968 /nfs/dbraw/zinc/16/29/68/572162968.db2.gz UDOGKWQOXYVREW-NHKHRBQYSA-N 0 0 544.538 6.050 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229888670 572165589 /nfs/dbraw/zinc/16/55/89/572165589.db2.gz YCMXOSYZKZBHEB-RWSKJCERSA-N 0 0 603.646 6.476 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229889664 572165727 /nfs/dbraw/zinc/16/57/27/572165727.db2.gz JDFZMWFGEAHRTK-JBOQNHBVSA-N 0 0 606.074 6.682 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000229895475 572166609 /nfs/dbraw/zinc/16/66/09/572166609.db2.gz OSJQKAJNMNUQNF-NHKHRBQYSA-N 0 0 533.986 6.795 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000229899357 572167280 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PZGDCLFJNJXVEC-UHFFFAOYSA-N 0 0 584.772 8.199 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)c(C)n1-c1ccc(F)cc1 ZINC000103054888 1071329138 /nfs/dbraw/zinc/32/91/38/1071329138.db2.gz XQGUJZIGAIGJRE-NXVVXOECSA-N 0 0 532.593 5.686 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(O)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097978985 1072837271 /nfs/dbraw/zinc/83/72/71/1072837271.db2.gz QGOYXJOBSXEVOS-XAYXJRQQSA-N 0 0 691.806 6.285 50 10 KKCARN CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc(O)c(O)cc23)/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000097979861 1072838334 /nfs/dbraw/zinc/83/83/34/1072838334.db2.gz UWVGAGGHBUNQKK-BJJGPXNVSA-N 0 0 605.643 6.987 50 10 KKCARN O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(SC(F)F)cc1 ZINC000097984041 1072840181 /nfs/dbraw/zinc/84/01/81/1072840181.db2.gz DTPHWTSMGNPWIC-SFQUDFHCSA-N 0 0 530.590 6.223 50 10 KKCARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254494329 1072859020 /nfs/dbraw/zinc/85/90/20/1072859020.db2.gz NNNIYXHWPKUHAS-UHFFFAOYSA-N 0 0 504.502 5.698 50 10 KKCARN Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1 ZINC000150528848 1072906527 /nfs/dbraw/zinc/90/65/27/1072906527.db2.gz IUTCBGPDQVUHMN-UHFFFAOYSA-N 0 0 642.800 6.542 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000034895091 1073208492 /nfs/dbraw/zinc/20/84/92/1073208492.db2.gz VLIKFKMFMBMALN-MQHZAWOVSA-N 0 0 519.692 6.098 50 10 KKCARN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000000651455 193869228 /nfs/dbraw/zinc/86/92/28/193869228.db2.gz HXZXPAHOFOITIG-NLRVBDNBSA-N 0 0 536.609 6.098 50 10 KKCARN CC(=O)N1N=C(c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000102766620 193922941 /nfs/dbraw/zinc/92/29/41/193922941.db2.gz GAKDSOZQJWPKPL-MHZLTWQESA-N 0 0 527.466 6.736 50 10 KKCARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1OC ZINC000000638145 551506706 /nfs/dbraw/zinc/50/67/06/551506706.db2.gz NRPQAMCDEXJYMR-RRPNLBNLSA-N 0 0 516.001 5.227 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000000680915 551524334 /nfs/dbraw/zinc/52/43/34/551524334.db2.gz BAJDNPDQYKCYJR-UHFFFAOYSA-N 0 0 522.582 5.872 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3sccc3C)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000000729106 551538997 /nfs/dbraw/zinc/53/89/97/551538997.db2.gz PTWLKQQUYZNYGX-UHFFFAOYSA-N 0 0 515.657 5.514 50 10 KKCARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000000845848 551548818 /nfs/dbraw/zinc/54/88/18/551548818.db2.gz SSKXHRYUZMJRLT-UHFFFAOYSA-N 0 0 522.586 5.751 50 10 KKCARN Cc1ccc(S(=O)(=O)Nc2cc(Br)c(NS(=O)(=O)c3ccc(C)cc3)cc2Br)cc1 ZINC000000851480 551549819 /nfs/dbraw/zinc/54/98/19/551549819.db2.gz OCCQMWUJPZTATF-UHFFFAOYSA-N 0 0 574.316 5.430 50 10 KKCARN CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@@H](C)C2 ZINC000000938466 551587551 /nfs/dbraw/zinc/58/75/51/551587551.db2.gz SGEQXVPRMCWFDZ-PIGZYNQJSA-N 0 0 512.575 5.510 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000973276 551590855 /nfs/dbraw/zinc/59/08/55/551590855.db2.gz ANCDZECLUYQONQ-SETSBSEESA-N 0 0 529.504 5.334 50 10 KKCARN O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001002908 551595715 /nfs/dbraw/zinc/59/57/15/551595715.db2.gz JWBPBLZIJJRVED-CHHVJCJISA-N 0 0 518.241 5.067 50 10 KKCARN COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N2c3ccccc3Sc3ccccc32)C1=O ZINC000001192861 551622108 /nfs/dbraw/zinc/62/21/08/551622108.db2.gz CZLDMFBPAUZPQW-XQNSMLJCSA-N 0 0 504.658 6.116 50 10 biogenic KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1C ZINC000001238480 551630298 /nfs/dbraw/zinc/63/02/98/551630298.db2.gz LJCGKUIOBUBUQL-IWIPYMOSSA-N 0 0 504.633 5.437 50 10 KKCARN Cc1ccccc1C(=O)NN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S ZINC000001242694 551630982 /nfs/dbraw/zinc/63/09/82/551630982.db2.gz CCZARKSYEQVYFU-DQRAZIAOSA-N 0 0 520.035 5.112 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000001251312 551632615 /nfs/dbraw/zinc/63/26/15/551632615.db2.gz WZAVQRPSWKPEDF-XDQFEMHDSA-N 0 0 513.644 5.313 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S)c1ccccc1Cl ZINC000001452655 551676415 /nfs/dbraw/zinc/67/64/15/551676415.db2.gz UBBKFMKSHHPSDW-PXLXIMEGSA-N 0 0 517.035 5.739 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(C)C ZINC000001470310 551680089 /nfs/dbraw/zinc/68/00/89/551680089.db2.gz XOSDXAKZCKDPCX-MYYYXRDXSA-N 0 0 515.660 6.629 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000001473916 551680669 /nfs/dbraw/zinc/68/06/69/551680669.db2.gz ANFYKECDBTVCFS-GKZBKZLQSA-N 0 0 587.748 5.507 50 10 KKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21)CC(C)C ZINC000001747691 551692159 /nfs/dbraw/zinc/69/21/59/551692159.db2.gz ZJFJRTVLAXRUFZ-UHFFFAOYSA-N 0 0 516.387 7.605 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001750765 551693009 /nfs/dbraw/zinc/69/30/09/551693009.db2.gz XPVKHFZPZMPDQE-YBFXNURJSA-N 0 0 568.960 6.924 50 10 KKCARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001759428 551694020 /nfs/dbraw/zinc/69/40/20/551694020.db2.gz ABFLSPGZJITXKT-FQEVSTJZSA-N 0 0 530.532 6.606 50 10 biogenic KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N(Cc1ccccc1)c1ccccc1 ZINC000001767003 551695206 /nfs/dbraw/zinc/69/52/06/551695206.db2.gz NJTQGCOOBUIQIL-JCMHNJIXSA-N 0 0 523.477 5.884 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000001770496 551696038 /nfs/dbraw/zinc/69/60/38/551696038.db2.gz YSJVNUBBWPDCKE-GDWJVWIDSA-N 0 0 587.788 7.975 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001778694 551697947 /nfs/dbraw/zinc/69/79/47/551697947.db2.gz TYPUAOICAJPLCK-OCBJUFRSSA-N 0 0 580.467 7.318 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000001796365 551702852 /nfs/dbraw/zinc/70/28/52/551702852.db2.gz FILWQPBIHZZSNB-OJDZSJEKSA-N 0 0 594.038 6.813 50 10 KKCARN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000001809944 551705425 /nfs/dbraw/zinc/70/54/25/551705425.db2.gz KPZKPHLLKPZELK-AOPUEWEHSA-N 0 0 512.436 5.344 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000001813136 551706797 /nfs/dbraw/zinc/70/67/97/551706797.db2.gz FERJTWXPDVGRTE-XFCANUNOSA-N 0 0 572.104 8.088 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000001815428 551707400 /nfs/dbraw/zinc/70/74/00/551707400.db2.gz JKWDMNJDUULXKJ-OLUZHXLYSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc(NC(=S)NNc2nc3c(c(=O)n2-c2ccc(C)cc2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000001823563 551709337 /nfs/dbraw/zinc/70/93/37/551709337.db2.gz RORPWIYIGVSMEH-UHFFFAOYSA-N 0 0 551.716 6.288 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001830766 551711257 /nfs/dbraw/zinc/71/12/57/551711257.db2.gz BHQSCEYWEAXKCZ-STZFKDTASA-N 0 0 508.024 5.804 50 10 KKCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000001835285 551712045 /nfs/dbraw/zinc/71/20/45/551712045.db2.gz CTJDSXADHQUZDN-MRCUWXFGSA-N 0 0 500.045 5.087 50 10 KKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000001840921 551714170 /nfs/dbraw/zinc/71/41/70/551714170.db2.gz DMCFCNWZOFVTBW-KRUMMXJUSA-N 0 0 557.762 7.803 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000001853706 551716038 /nfs/dbraw/zinc/71/60/38/551716038.db2.gz WMWHZQLWTFNLJE-NLDZOOGBSA-N 0 0 595.438 7.218 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000001860398 551716874 /nfs/dbraw/zinc/71/68/74/551716874.db2.gz UDOGKWQOXYVREW-YTCPBCGMSA-N 0 0 544.538 6.050 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000001866728 551718185 /nfs/dbraw/zinc/71/81/85/551718185.db2.gz FBNXZXYRJJRPRL-KWXIBIRDSA-N 0 0 586.084 6.414 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000001872594 551720125 /nfs/dbraw/zinc/72/01/25/551720125.db2.gz GLPAZNJHLYOPHG-OCBJUFRSSA-N 0 0 580.467 7.318 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Cl)cc1 ZINC000001873314 551720593 /nfs/dbraw/zinc/72/05/93/551720593.db2.gz GAKVJQRDTYXTBU-XSFVSMFZSA-N 0 0 554.070 6.372 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000001874470 551721148 /nfs/dbraw/zinc/72/11/48/551721148.db2.gz HYOTWMNXEIRRJI-OLUZHXLYSA-N 0 0 559.593 6.159 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000001876227 551722535 /nfs/dbraw/zinc/72/25/35/551722535.db2.gz QGQCFFPTCXCUKG-YTCPBCGMSA-N 0 0 560.993 6.565 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)SC2=S)cc1 ZINC000001881390 551724215 /nfs/dbraw/zinc/72/42/15/551724215.db2.gz HMKPOLLJDLOZNQ-JLPGSUDCSA-N 0 0 562.514 7.106 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000001890277 551726323 /nfs/dbraw/zinc/72/63/23/551726323.db2.gz DXDVLBISRWNLFU-RGVLZGJSSA-N 0 0 516.019 6.483 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000001890543 551726493 /nfs/dbraw/zinc/72/64/93/551726493.db2.gz XRSTWELRHFXRQE-KCHLEUMXSA-N 0 0 576.996 5.809 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000001899786 551730256 /nfs/dbraw/zinc/73/02/56/551730256.db2.gz YCQMEUSGNPYBRH-YTCPBCGMSA-N 0 0 578.437 6.905 50 10 KKCARN Cc1ccc(Nc2cc(Oc3c(F)c(F)c(F)c(F)c3F)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002023333 551736195 /nfs/dbraw/zinc/73/61/95/551736195.db2.gz YECKDLOBFULGFS-UHFFFAOYSA-N 0 0 508.402 7.579 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000002061073 551742601 /nfs/dbraw/zinc/74/26/01/551742601.db2.gz GYEJJHDEOGUMEU-XQNSMLJCSA-N 0 0 547.463 7.619 50 10 KKCARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC000002061786 551742959 /nfs/dbraw/zinc/74/29/59/551742959.db2.gz BIZKGKRDEYUPAM-AWEZNQCLSA-N 0 0 504.222 5.791 50 10 KKCARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1I ZINC000002070403 551746953 /nfs/dbraw/zinc/74/69/53/551746953.db2.gz JCSDEKNNCHBJLA-KGENOOAVSA-N 0 0 568.436 5.665 50 10 KKCARN O=C(NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1c(O)ccc2ccccc21)c1ccc(Cl)cc1 ZINC000002085486 551755132 /nfs/dbraw/zinc/75/51/32/551755132.db2.gz CJXQSSHBHKGZRT-QHCPKHFHSA-N 0 0 522.786 5.873 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)C(F)(F)F)C(C)(C)C2=S)S1 ZINC000002092188 551759135 /nfs/dbraw/zinc/75/91/35/551759135.db2.gz YCABWCLNWAWUFX-NKFKGCMQSA-N 0 0 549.661 7.133 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000002109117 551766810 /nfs/dbraw/zinc/76/68/10/551766810.db2.gz IPEGLIQXORRPHH-IWWXRALLSA-N 0 0 555.630 6.329 50 10 KKCARN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000002119821 551770072 /nfs/dbraw/zinc/77/00/72/551770072.db2.gz KJYJFMGROMQMPU-OVCLIPMQSA-N 0 0 567.246 7.035 50 10 KKCARN O=C1C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000002120352 551770234 /nfs/dbraw/zinc/77/02/34/551770234.db2.gz RZWVJHJUTWSBDN-UHFFFAOYSA-N 0 0 582.512 7.745 50 10 biogenic KKCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(C(=O)OC)=C2C)cc1 ZINC000002178419 551784512 /nfs/dbraw/zinc/78/45/12/551784512.db2.gz MAXLKOXYEMAQBY-XYGWBWBKSA-N 0 0 563.448 5.911 50 10 KKCARN COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002179366 551784640 /nfs/dbraw/zinc/78/46/40/551784640.db2.gz SOPOPFLDEPRYSE-HOOSLVGPSA-N 0 0 567.257 8.448 50 10 KKCARN COc1cc([C@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000002179370 551784680 /nfs/dbraw/zinc/78/46/80/551784680.db2.gz FROGEXUMJSDMBO-HOOSLVGPSA-N 0 0 564.829 8.535 50 10 KKCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 ZINC000002195402 551791937 /nfs/dbraw/zinc/79/19/37/551791937.db2.gz PNROIKTWWYWTOA-DIBXZPPDSA-N 0 0 522.630 5.421 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000002198577 551792309 /nfs/dbraw/zinc/79/23/09/551792309.db2.gz QRDDBMZUTLTAFT-SMIHKQSGSA-N 0 0 530.418 6.091 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000002209082 551793841 /nfs/dbraw/zinc/79/38/41/551793841.db2.gz LBNIJUQIRXNRNY-JBOQNHBVSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(C)c(C)c3)C1=N2 ZINC000002213312 551794409 /nfs/dbraw/zinc/79/44/09/551794409.db2.gz DYGUFDVCEGFBDN-SSEXGKCCSA-N 0 0 540.627 7.004 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C ZINC000002216296 551795251 /nfs/dbraw/zinc/79/52/51/551795251.db2.gz LRKXGNLGTWSHCG-NAZSJVEXSA-N 0 0 519.692 6.017 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000002228342 551797085 /nfs/dbraw/zinc/79/70/85/551797085.db2.gz ZWVMKXAMWBFUJP-ONUIUJJFSA-N 0 0 511.672 6.648 50 10 KKCARN Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000002241728 551799366 /nfs/dbraw/zinc/79/93/66/551799366.db2.gz ZBIGGHDAYLWXLU-MYYYXRDXSA-N 0 0 515.660 6.629 50 10 KKCARN CCc1ccc(N=C2Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000002249981 551801292 /nfs/dbraw/zinc/80/12/92/551801292.db2.gz RTBQLBZFKAGJPV-SSEXGKCCSA-N 0 0 540.627 6.950 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000002278957 551805847 /nfs/dbraw/zinc/80/58/47/551805847.db2.gz PEXYXRKWVXYTPQ-MFARRGDHSA-N 0 0 546.048 6.419 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000002289776 551807206 /nfs/dbraw/zinc/80/72/06/551807206.db2.gz WXXGKROLEAOZBV-CQKAXJAZSA-N 0 0 511.672 6.900 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)C ZINC000002304182 551808569 /nfs/dbraw/zinc/80/85/69/551808569.db2.gz FCWSKSPINUQZEB-PKAZHMFMSA-N 0 0 525.699 7.036 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccccc3)C1=N2 ZINC000002233723 552082465 /nfs/dbraw/zinc/08/24/65/552082465.db2.gz QXDDUJDMYZAFEB-PMERELPUSA-N 0 0 523.644 7.042 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl ZINC000002261377 552084394 /nfs/dbraw/zinc/08/43/94/552084394.db2.gz OCPSDONJJAIGTF-IWIPYMOSSA-N 0 0 526.127 7.229 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000002261829 552084787 /nfs/dbraw/zinc/08/47/87/552084787.db2.gz URGQQEXQUAKHBV-BEXDPUPVSA-N 0 0 507.059 6.294 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1C ZINC000002288003 552087895 /nfs/dbraw/zinc/08/78/95/552087895.db2.gz FVUNMSDSWHLQAZ-LGUFXXKBSA-N 0 0 500.668 6.483 50 10 KKCARN O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000002305731 552090312 /nfs/dbraw/zinc/09/03/12/552090312.db2.gz RBPCSFZIXGCBEF-UHFFFAOYSA-N 0 0 528.431 6.328 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000002345721 552098833 /nfs/dbraw/zinc/09/88/33/552098833.db2.gz HNZGBZZUCWFBTK-UQQQWYQISA-N 0 0 523.580 6.077 50 10 KKCARN Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000002346791 552099102 /nfs/dbraw/zinc/09/91/02/552099102.db2.gz SXXNHIOCVNFJBK-UNOMPAQXSA-N 0 0 547.489 5.021 50 10 KKCARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002366774 552104097 /nfs/dbraw/zinc/10/40/97/552104097.db2.gz BVNYQOAUWMTTJP-UHFFFAOYSA-N 0 0 512.034 6.496 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000002370509 552105124 /nfs/dbraw/zinc/10/51/24/552105124.db2.gz HHIKMNRVJKWJBM-ONUIUJJFSA-N 0 0 511.672 6.648 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000002370708 552105126 /nfs/dbraw/zinc/10/51/26/552105126.db2.gz GCQRKYXYZSYIKH-IMRQLAEWSA-N 0 0 525.699 7.038 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1)c1ccccc1 ZINC000002372685 552105655 /nfs/dbraw/zinc/10/56/55/552105655.db2.gz IPACMTQOAIYSGZ-MOHJPFBDSA-N 0 0 504.011 5.352 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000002390529 552108860 /nfs/dbraw/zinc/10/88/60/552108860.db2.gz KVYCUTGBNCTDJB-IARZGTGTSA-N 0 0 523.604 6.273 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000002408063 552113166 /nfs/dbraw/zinc/11/31/66/552113166.db2.gz RWYGESQUSZSFBG-IARZGTGTSA-N 0 0 501.538 5.605 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000002414344 552114262 /nfs/dbraw/zinc/11/42/62/552114262.db2.gz GDLYATLKQXQMIE-YPKYBTACSA-N 0 0 541.603 6.020 50 10 KKCARN COc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000002417812 552115142 /nfs/dbraw/zinc/11/51/42/552115142.db2.gz RYYLZERGLAMCLD-KTANTHGASA-N 0 0 536.617 5.181 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000002423242 552116118 /nfs/dbraw/zinc/11/61/18/552116118.db2.gz NWVMFYNMIORCKY-OCBJUFRSSA-N 0 0 547.557 6.290 50 10 KKCARN Cc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1C ZINC000002426515 552116893 /nfs/dbraw/zinc/11/68/93/552116893.db2.gz UBYMWKBSCIHRAV-VJAHKBQOSA-N 0 0 534.645 5.790 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000002426998 552117032 /nfs/dbraw/zinc/11/70/32/552117032.db2.gz XFKQAZQMKHVCCR-IARZGTGTSA-N 0 0 539.603 5.892 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002447590 552122067 /nfs/dbraw/zinc/12/20/67/552122067.db2.gz CKKLTSSHNXLBGN-OCBJUFRSSA-N 0 0 546.022 6.665 50 10 KKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000002447775 552122076 /nfs/dbraw/zinc/12/20/76/552122076.db2.gz WODXWHLDBGLQMC-QQXSKIMKSA-N 0 0 529.662 6.867 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000002452137 552123813 /nfs/dbraw/zinc/12/38/13/552123813.db2.gz OSCYFHIYSSPJBS-YPKYBTACSA-N 0 0 525.604 6.320 50 10 KKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000002520487 552127087 /nfs/dbraw/zinc/12/70/87/552127087.db2.gz IPEHLNUAXLHGJE-ONUIUJJFSA-N 0 0 529.662 6.869 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 ZINC000002533309 552128083 /nfs/dbraw/zinc/12/80/83/552128083.db2.gz VKEQZIBGGDBOLD-XYGWBWBKSA-N 0 0 503.693 6.718 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000002589243 552131914 /nfs/dbraw/zinc/13/19/14/552131914.db2.gz CCNFRGPBMDDGDG-OCBJUFRSSA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000002590041 552132058 /nfs/dbraw/zinc/13/20/58/552132058.db2.gz WISHVNOYJJWSCO-OCBJUFRSSA-N 0 0 564.012 6.804 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(Nc4c(C)cccc4C)s3)c2C)cc1 ZINC000002617205 552137062 /nfs/dbraw/zinc/13/70/62/552137062.db2.gz ANWFOWXZMSAGPY-UHFFFAOYSA-N 0 0 506.653 6.068 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccc(OC)c4)n3-c3ccccc3)c2C)cc1 ZINC000002626826 552138959 /nfs/dbraw/zinc/13/89/59/552138959.db2.gz KEQKGTWYCKKYKS-UHFFFAOYSA-N 0 0 524.646 6.334 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(COc4ccccc4F)n3-c3ccccc3)c2C)cc1 ZINC000002627877 552139173 /nfs/dbraw/zinc/13/91/73/552139173.db2.gz OAIXFIJVUFCIOO-UHFFFAOYSA-N 0 0 542.636 6.377 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002645629 552144856 /nfs/dbraw/zinc/14/48/56/552144856.db2.gz NVPQTUDLVSFOCQ-UHFFFAOYSA-N 0 0 525.586 5.777 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000002668323 552152298 /nfs/dbraw/zinc/15/22/98/552152298.db2.gz GYOFZRBNJIWSIE-DAJTYMAISA-N 0 0 560.144 7.771 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000002672768 552153894 /nfs/dbraw/zinc/15/38/94/552153894.db2.gz AJOUMRDELLVWMJ-DAJTYMAISA-N 0 0 543.689 7.257 50 10 KKCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)SC2=S)cc1 ZINC000002678425 552154088 /nfs/dbraw/zinc/15/40/88/552154088.db2.gz ACOUUVNZUQEIOA-XYGWBWBKSA-N 0 0 538.698 6.319 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S)c1ccccc1Cl ZINC000002682436 552155738 /nfs/dbraw/zinc/15/57/38/552155738.db2.gz CQOUKKMTXNGUOA-HMAPJEAMSA-N 0 0 562.032 5.647 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1Cl ZINC000002688142 552157144 /nfs/dbraw/zinc/15/71/44/552157144.db2.gz ISIXDLGUHRPFEN-HYARGMPZSA-N 0 0 562.032 5.647 50 10 KKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000002704643 552159966 /nfs/dbraw/zinc/15/99/66/552159966.db2.gz GWXCWEQSEDZRHE-YUMHPJSZSA-N 0 0 560.144 7.629 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)c3ccc(C)cc3)C(C)(C)C2=S)S1 ZINC000002740740 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COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)c1 ZINC000008493745 553076453 /nfs/dbraw/zinc/07/64/53/553076453.db2.gz VAIIJGWOBOORPW-GIFFBUQOSA-N 0 0 533.009 5.474 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 ZINC000008493830 553076475 /nfs/dbraw/zinc/07/64/75/553076475.db2.gz QBGCGDQSGFWFCG-HWXRLCQTSA-N 0 0 538.673 6.634 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000008494400 553076602 /nfs/dbraw/zinc/07/66/02/553076602.db2.gz UGUFOEUWDPDKPJ-BCHOFCCMSA-N 0 0 571.873 6.902 50 10 KKCARN Cc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2Cl)cc1 ZINC000008494585 553076876 /nfs/dbraw/zinc/07/68/76/553076876.db2.gz LWKKPLBRHNVMHV-CWWXPHDBSA-N 0 0 585.900 7.080 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1OC ZINC000008494707 553076895 /nfs/dbraw/zinc/07/68/95/553076895.db2.gz SFZKYLPZDLJASP-GSUHUNNHSA-N 0 0 597.480 6.136 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000008495190 553077120 /nfs/dbraw/zinc/07/71/20/553077120.db2.gz VALBLOSNFHFLSL-VNBAYUTASA-N 0 0 591.487 5.891 50 10 KKCARN COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc(OC)c1OC ZINC000008583610 553080252 /nfs/dbraw/zinc/08/02/52/553080252.db2.gz SIUMFUGOFYRJIX-QFIPXVFZSA-N 0 0 513.377 5.792 50 10 biogenic KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OCC)cc3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000008583608 553080319 /nfs/dbraw/zinc/08/03/19/553080319.db2.gz KURWIGBTUXAEGF-UHFFFAOYSA-N 0 0 539.654 5.543 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OCC)ccc3[C@@H](C(=O)COc3ccc(F)cc3)C(C)(C)C2=S)S1 ZINC000008711978 553126189 /nfs/dbraw/zinc/12/61/89/553126189.db2.gz HOEPAQRPWJOMAM-DEOSSOPVSA-N 0 0 630.781 6.852 50 10 KKCARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000008712073 553126193 /nfs/dbraw/zinc/12/61/93/553126193.db2.gz PRABZCGCKZQLCG-UHFFFAOYSA-N 0 0 593.705 6.795 50 10 KKCARN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000008714001 553128643 /nfs/dbraw/zinc/12/86/43/553128643.db2.gz VWVNZFRNOMHRSI-HKWRFOASSA-N 0 0 503.045 5.527 50 10 KKCARN O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(Cl)cc1Cl ZINC000008721750 553129409 /nfs/dbraw/zinc/12/94/09/553129409.db2.gz DTDWUWFUJYUCPP-UHFFFAOYSA-N 0 0 511.364 7.436 50 10 KKCARN CC1(C)CCC[NH+](Cc2c([O-])c(C[N@H+]3CCCC(C)(C)C3)c([O-])c3c(=O)cc(-c4ccccc4)oc23)C1 ZINC000008738293 553130689 /nfs/dbraw/zinc/13/06/89/553130689.db2.gz AWRCCSMODSEXOZ-UHFFFAOYSA-N 0 0 504.671 6.115 50 10 biogenic KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000008743305 553133571 /nfs/dbraw/zinc/13/35/71/553133571.db2.gz MJHHYGSAXPTSMW-PKZQBKLLSA-N 0 0 512.565 5.500 50 10 KKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 ZINC000008764026 553138152 /nfs/dbraw/zinc/13/81/52/553138152.db2.gz HZRHWGHFWKEKJJ-CJLVFECKSA-N 0 0 507.706 5.916 50 10 KKCARN CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008777581 553142577 /nfs/dbraw/zinc/14/25/77/553142577.db2.gz CUEABDIUQHKVLK-HAHDFKILSA-N 0 0 566.054 5.020 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000008776394 553142595 /nfs/dbraw/zinc/14/25/95/553142595.db2.gz PWXDJHBQPKXRDH-USDTVRPUSA-N 0 0 573.690 5.132 50 10 KKCARN Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000008777679 553143138 /nfs/dbraw/zinc/14/31/38/553143138.db2.gz GXNVXRLBHGRGQM-COEJQBHMSA-N 0 0 559.732 5.680 50 10 KKCARN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778030 553143509 /nfs/dbraw/zinc/14/35/09/553143509.db2.gz BSZXFSHADVWIRX-YSMPRRRNSA-N 0 0 596.536 5.924 50 10 KKCARN CCN1C(=O)/C(=C\c2cn(CCOc3cc(C)ccc3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778065 553143541 /nfs/dbraw/zinc/14/35/41/553143541.db2.gz LDELVXJUKQUVEW-BRPDVVIDSA-N 0 0 585.726 5.265 50 10 KKCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778152 553143956 /nfs/dbraw/zinc/14/39/56/553143956.db2.gz YFNHNYHOJJCFGU-ROTLSHHCSA-N 0 0 560.503 5.329 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000008837787 553164463 /nfs/dbraw/zinc/16/44/63/553164463.db2.gz QXPNDKXZCXKZJW-GXMOOAJBSA-N 0 0 513.417 5.312 50 10 KKCARN COc1ccccc1/C=C1\C(=O)N(c2ccc(C)cc2)C2=C1[C@H](c1ccccc1)N(c1ccc(C)cc1)C2=O ZINC000008856768 553167816 /nfs/dbraw/zinc/16/78/16/553167816.db2.gz UNNMWQZNFPRWQD-HXQACLMCSA-N 0 0 512.609 6.784 50 10 KKCARN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000008857600 553168340 /nfs/dbraw/zinc/16/83/40/553168340.db2.gz PFAXGHNMOQUFSX-XLNRJJMWSA-N 0 0 512.653 5.272 50 10 KKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 ZINC000008871632 553171647 /nfs/dbraw/zinc/17/16/47/553171647.db2.gz CZSNHYQMHYYRFS-XQNSMLJCSA-N 0 0 521.733 6.225 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000008872119 553172222 /nfs/dbraw/zinc/17/22/22/553172222.db2.gz FQQVNUKXNZVYBH-WQRHYEAKSA-N 0 0 510.356 7.134 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc2ccccc2c1 ZINC000008872152 553172522 /nfs/dbraw/zinc/17/25/22/553172522.db2.gz LZUXAZPPLBYJQP-JJIBRWJFSA-N 0 0 508.404 8.878 50 10 KKCARN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c1 ZINC000008872188 553172645 /nfs/dbraw/zinc/17/26/45/553172645.db2.gz QZTKXNDGRBQPFZ-HAVVHWLPSA-N 0 0 510.387 7.383 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000008872226 553172672 /nfs/dbraw/zinc/17/26/72/553172672.db2.gz NXEJMDUFUOFVNI-GZTJUZNOSA-N 0 0 501.207 7.236 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000008927687 553192101 /nfs/dbraw/zinc/19/21/01/553192101.db2.gz SKAHPMBCVKIKCY-GDLZYMKVSA-N 0 0 504.037 7.372 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000008952514 553194355 /nfs/dbraw/zinc/19/43/55/553194355.db2.gz HOCPLFRNUMUSHB-XNNCMUMCSA-N 0 0 504.612 5.352 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1 ZINC000008959069 553194428 /nfs/dbraw/zinc/19/44/28/553194428.db2.gz PDOOGXSUPJZKON-CJLVFECKSA-N 0 0 506.089 6.370 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000008995227 553197054 /nfs/dbraw/zinc/19/70/54/553197054.db2.gz XVZXTQADKLGPSK-ZNZIZOMTSA-N 0 0 506.558 5.643 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009009656 553199491 /nfs/dbraw/zinc/19/94/91/553199491.db2.gz GVWJNEOJIHKVKX-FCEKVYKBSA-N 0 0 521.613 5.752 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000009009787 553199528 /nfs/dbraw/zinc/19/95/28/553199528.db2.gz GXUFLEKBUAERLH-IDZRBWSNSA-N 0 0 511.577 6.012 50 10 KKCARN Cc1cc(C)cc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)S2)c1 ZINC000009015967 553200570 /nfs/dbraw/zinc/20/05/70/553200570.db2.gz KNUVWAFCURMCSG-YDZHTSKRSA-N 0 0 511.416 6.866 50 10 KKCARN Cc1ccc(C2=NN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009046030 553203562 /nfs/dbraw/zinc/20/35/62/553203562.db2.gz RWSBMTJNRSBJJO-PMERELPUSA-N 0 0 518.064 7.680 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)cc4)c(OCC)c3)C2=N)S1 ZINC000009066394 553206124 /nfs/dbraw/zinc/20/61/24/553206124.db2.gz FIUUVZPTLNVULK-RRABYFSWSA-N 0 0 527.046 5.924 50 10 KKCARN CCOC(=O)c1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@H](C)C2)c(=O)c1-c1ccc(Br)cc1 ZINC000009075522 553207323 /nfs/dbraw/zinc/20/73/23/553207323.db2.gz IFYIQLFBSGDAPQ-HNNXBMFYSA-N 0 0 500.389 5.337 50 10 KKCARN CC[C@H](C)C(=O)N1c2cc(C)c(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000009085959 553208350 /nfs/dbraw/zinc/20/83/50/553208350.db2.gz ZKEKGOMFUFNUQC-LBPRGKRZSA-N 0 0 519.710 5.551 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009088317 553208936 /nfs/dbraw/zinc/20/89/36/553208936.db2.gz VUHGSGNHBQHHQV-ULNSLHSMSA-N 0 0 515.996 6.656 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCOc1cccc(C)c1 ZINC000009137046 553213711 /nfs/dbraw/zinc/21/37/11/553213711.db2.gz SZZLEHKMUABHBZ-UQQQWYQISA-N 0 0 509.624 6.396 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 ZINC000009191775 553218603 /nfs/dbraw/zinc/21/86/03/553218603.db2.gz UFUGQHHKUWYAQC-XAUISYEUSA-N 0 0 511.607 5.078 50 10 KKCARN Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000009193042 553219001 /nfs/dbraw/zinc/21/90/01/553219001.db2.gz LLAPYFUJQQZMIC-CGVBMLBPSA-N 0 0 506.591 5.091 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000009193526 553219181 /nfs/dbraw/zinc/21/91/81/553219181.db2.gz ICAGEYKBYWPTOE-UFKPDHSYSA-N 0 0 523.062 5.078 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000009210326 553220619 /nfs/dbraw/zinc/22/06/19/553220619.db2.gz JENPIMDYEMBZID-ZYAFDPRBSA-N 0 0 500.455 6.600 50 10 KKCARN Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009233013 553223999 /nfs/dbraw/zinc/22/39/99/553223999.db2.gz CTHCJYIXQSAYFY-ODCIPOBUSA-N 0 0 503.432 6.535 50 10 KKCARN CC(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000009232971 553224081 /nfs/dbraw/zinc/22/40/81/553224081.db2.gz VYNFQXLDWBYRKE-GSDHBNRESA-N 0 0 501.504 6.036 50 10 KKCARN Cc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000009233093 553224211 /nfs/dbraw/zinc/22/42/11/553224211.db2.gz AHJBJHDIOVZQQQ-ZVHZXABRSA-N 0 0 501.608 6.133 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009235286 553225207 /nfs/dbraw/zinc/22/52/07/553225207.db2.gz NPVRFCUFIHFQKY-KWXIBIRDSA-N 0 0 505.570 6.204 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009237328 553225808 /nfs/dbraw/zinc/22/58/08/553225808.db2.gz JHZCHCJKCPWIII-DSNGMDLFSA-N 0 0 511.986 6.311 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S ZINC000009237672 553225872 /nfs/dbraw/zinc/22/58/72/553225872.db2.gz VALJYBNGHFKYLE-IMRQLAEWSA-N 0 0 533.763 7.664 50 10 KKCARN COc1ccccc1C(=O)N1N=C2/C(=C/c3ccc(N(C)C)cc3)CCC[C@H]2[C@H]1c1ccc(N(C)C)cc1 ZINC000009246734 553227323 /nfs/dbraw/zinc/22/73/23/553227323.db2.gz JKCFJIWOSFWXJE-WRTRNYSPSA-N 0 0 508.666 6.264 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000009262102 553228471 /nfs/dbraw/zinc/22/84/71/553228471.db2.gz QDKQWZPXHNIWAD-BOPFTXTBSA-N 0 0 501.207 7.236 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000009301715 553236225 /nfs/dbraw/zinc/23/62/25/553236225.db2.gz XPELMSXMIBMPRA-NMVMGKAGSA-N 0 0 516.545 5.758 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCCOc4ccc(C5CCCCC5)cc4)c3)C2=N)S1 ZINC000009302159 553236460 /nfs/dbraw/zinc/23/64/60/553236460.db2.gz UTWASBANGYHZIY-WXXRCWSISA-N 0 0 502.640 6.221 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009309281 553238209 /nfs/dbraw/zinc/23/82/09/553238209.db2.gz JOIHQDPYNAAEPU-KKUQBAQOSA-N 0 0 513.996 6.528 50 10 KKCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000009309411 553238318 /nfs/dbraw/zinc/23/83/18/553238318.db2.gz ZEPRCVPDBMDHNH-QKDODKLFSA-N 0 0 513.977 5.380 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccccc4[C@H](C)CC)c4ccccc34)C2=N)S1 ZINC000009309849 553238558 /nfs/dbraw/zinc/23/85/58/553238558.db2.gz RTFIUOXHZPJONR-IQSWDKPESA-N 0 0 513.667 6.653 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000009309760 553238573 /nfs/dbraw/zinc/23/85/73/553238573.db2.gz YGTIMUFKMXCGCI-GMQQYTKMSA-N 0 0 526.032 6.397 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1 ZINC000009311279 553239496 /nfs/dbraw/zinc/23/94/96/553239496.db2.gz ZNELJFPBQAPKCB-HMMYKYKNSA-N 0 0 502.795 7.834 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000009323968 553241709 /nfs/dbraw/zinc/24/17/09/553241709.db2.gz NXUKJWSUQZYUIN-PKAZHMFMSA-N 0 0 522.088 8.288 50 10 KKCARN CCN(CC)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccccc2Cl)cc1 ZINC000009369270 553250134 /nfs/dbraw/zinc/25/01/34/553250134.db2.gz QUWZQWHDGRKSCB-VWLOTQADSA-N 0 0 510.863 6.940 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000009424778 553258922 /nfs/dbraw/zinc/25/89/22/553258922.db2.gz OVUQBRMPNITSSZ-XFYDVPHZSA-N 0 0 508.390 5.635 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S ZINC000009435942 553264378 /nfs/dbraw/zinc/26/43/78/553264378.db2.gz CMRABDFXXDZDFY-ITYLOYPMSA-N 0 0 519.736 7.416 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S ZINC000009461239 553267600 /nfs/dbraw/zinc/26/76/00/553267600.db2.gz RFQPSQQCZLJAKI-SUNMQZQPSA-N 0 0 530.760 5.648 50 10 KKCARN Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000009462204 553268156 /nfs/dbraw/zinc/26/81/56/553268156.db2.gz LXNHPQPTCVEASK-MLPWYGTASA-N 0 0 522.696 5.192 50 10 KKCARN COc1ccccc1[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O ZINC000009504608 553275566 /nfs/dbraw/zinc/27/55/66/553275566.db2.gz AYDMGWSDXSDNCR-QHCPKHFHSA-N 0 0 508.958 5.148 50 10 biogenic KKCARN COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000009504617 553275634 /nfs/dbraw/zinc/27/56/34/553275634.db2.gz GRDMPKZIPUXPQJ-HSZRJFAPSA-N 0 0 508.958 5.148 50 10 biogenic KKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc([C@@H](C)CC)cc1 ZINC000009510899 553276229 /nfs/dbraw/zinc/27/62/29/553276229.db2.gz FVUSCVWWWSVNFF-PZBNQXIHSA-N 0 0 506.089 6.589 50 10 KKCARN COc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000009553653 553278477 /nfs/dbraw/zinc/27/84/77/553278477.db2.gz TWEYWOQJHZHXBQ-ULJHMMPZSA-N 0 0 512.052 6.602 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=N)S1 ZINC000009553474 553278517 /nfs/dbraw/zinc/27/85/17/553278517.db2.gz HYVRCZTYZMEBBU-ITFAFNGDSA-N 0 0 513.019 5.616 50 10 KKCARN Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000009553901 553278774 /nfs/dbraw/zinc/27/87/74/553278774.db2.gz BTTZKLCEFFCXRJ-XYGWBWBKSA-N 0 0 510.080 6.816 50 10 KKCARN COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c(c(C)nn4-c4ccc(C)c(C)c4)c3C)CC2)cc1 ZINC000009611551 553289251 /nfs/dbraw/zinc/28/92/51/553289251.db2.gz ONSLVOAAPSOEFJ-UHFFFAOYSA-N 0 0 511.670 5.253 50 10 KKCARN CCOC(=O)N1CCN(c2cc(Nc3c(C)cc(C)cc3C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612329 553289575 /nfs/dbraw/zinc/28/95/75/553289575.db2.gz AASXXULONMHXFY-UHFFFAOYSA-N 0 0 510.594 5.987 50 10 KKCARN Cc1ccc(C)c(Nc2cc(N3CCN(c4ccccc4F)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009612312 553289664 /nfs/dbraw/zinc/28/96/64/553289664.db2.gz YJAGEHFDDTWHRX-UHFFFAOYSA-N 0 0 518.592 6.865 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)c1 ZINC000009730638 553302136 /nfs/dbraw/zinc/30/21/36/553302136.db2.gz XEKKGAAVJSZVPC-DHRCOFPMSA-N 0 0 530.694 6.776 50 10 KKCARN CCc1ccccc1OCCn1c(C)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(C)ccc21 ZINC000009763835 553303492 /nfs/dbraw/zinc/30/34/92/553303492.db2.gz QHSZUQMJFOYDNG-USHMODERSA-N 0 0 512.700 7.305 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3Br)C2=O)cc1Br ZINC000009933834 553317306 /nfs/dbraw/zinc/31/73/06/553317306.db2.gz ROYBFXATLGRGAU-AQTBWJFISA-N 0 0 511.213 6.692 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(CC)cc1 ZINC000009969746 553322348 /nfs/dbraw/zinc/32/23/48/553322348.db2.gz KAZKXUMFRKBKRA-NHFJDJAPSA-N 0 0 519.688 6.901 50 10 KKCARN Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)Nc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000010078597 553327881 /nfs/dbraw/zinc/32/78/81/553327881.db2.gz GRQRIOJFJQOQCN-NDEPHWFRSA-N 0 0 512.635 6.007 50 10 KKCARN CCOc1ccc2c(c1)S[C@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1cc2ccccc2s1 ZINC000012247620 553355223 /nfs/dbraw/zinc/35/52/23/553355223.db2.gz MSHDTALIMFNUBE-MHZLTWQESA-N 0 0 521.704 7.570 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000012363466 553359482 /nfs/dbraw/zinc/35/94/82/553359482.db2.gz PQQMNLRSFXXOSX-PDGQHHTCSA-N 0 0 511.213 6.692 50 10 KKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000012411770 553363769 /nfs/dbraw/zinc/36/37/69/553363769.db2.gz PUPFZYBRXNAWID-MSIZFFOJSA-N 0 0 510.678 6.665 50 10 biogenic KKCARN Cc1cc(C2=NN=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c(C)n1-c1ccc(Cl)cc1 ZINC000012542308 553390488 /nfs/dbraw/zinc/39/04/88/553390488.db2.gz IFCLJRWNCFWRKN-UHFFFAOYSA-N 0 0 505.047 5.464 50 10 KKCARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000012581503 553399028 /nfs/dbraw/zinc/39/90/28/553399028.db2.gz IFKVPYNJERPZFA-UHFFFAOYSA-N 0 0 509.945 5.429 50 10 KKCARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000013063100 553443539 /nfs/dbraw/zinc/44/35/39/553443539.db2.gz WTTGOGYNPFRGFV-UHFFFAOYSA-N 0 0 502.353 6.542 50 10 KKCARN COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013149278 553456372 /nfs/dbraw/zinc/45/63/72/553456372.db2.gz BAMWNMITUDHQHR-JJFYIABZSA-N 0 0 501.391 6.369 50 10 KKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c1 ZINC000013510787 553467499 /nfs/dbraw/zinc/46/74/99/553467499.db2.gz USMZDASEEITNLV-CSGQPYJXSA-N 0 0 502.640 5.408 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 ZINC000013603258 553477468 /nfs/dbraw/zinc/47/74/68/553477468.db2.gz TVTKFVMHKXTSDQ-QNGOZBTKSA-N 0 0 509.678 5.363 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013602807 553477472 /nfs/dbraw/zinc/47/74/72/553477472.db2.gz LESGWZYGKZCTPB-IWIPYMOSSA-N 0 0 512.052 6.732 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)SC1=S ZINC000013618979 553478139 /nfs/dbraw/zinc/47/81/39/553478139.db2.gz IRFUFIYQQOFEHJ-XHPQRKPJSA-N 0 0 519.736 7.418 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c1 ZINC000013646562 553480010 /nfs/dbraw/zinc/48/00/10/553480010.db2.gz QEZPRAOSXQIWLQ-DIBXZPPDSA-N 0 0 531.747 7.561 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013711979 553485925 /nfs/dbraw/zinc/48/59/25/553485925.db2.gz WDLZXWNVRIDMOO-CSGQPYJXSA-N 0 0 518.708 6.121 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000013750796 553487985 /nfs/dbraw/zinc/48/79/85/553487985.db2.gz UNTVQYJMYUFHOU-UFAQQFSPSA-N 0 0 521.086 6.684 50 10 KKCARN COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000013777636 553490220 /nfs/dbraw/zinc/49/02/20/553490220.db2.gz FHRQZYUFFHDYON-PFRBSUFTSA-N 0 0 510.036 6.530 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000013785856 553490648 /nfs/dbraw/zinc/49/06/48/553490648.db2.gz VVGNEFMPRFYVPS-MOSHPQCFSA-N 0 0 514.097 5.926 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000013785931 553490664 /nfs/dbraw/zinc/49/06/64/553490664.db2.gz GJPIEPOQHXDRAX-VOTRPJCDSA-N 0 0 530.694 6.106 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 ZINC000013809759 553491982 /nfs/dbraw/zinc/49/19/82/553491982.db2.gz OVTXVSDYKOUXOR-XSPMQRBPSA-N 0 0 523.658 6.962 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000013809959 553492111 /nfs/dbraw/zinc/49/21/11/553492111.db2.gz WZAVQRPSWKPEDF-AXUOHLPSSA-N 0 0 513.644 5.313 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000013810396 553492355 /nfs/dbraw/zinc/49/23/55/553492355.db2.gz DKAKOZRENDQBAP-IKYHASTISA-N 0 0 502.640 5.326 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000013810342 553492380 /nfs/dbraw/zinc/49/23/80/553492380.db2.gz RZJKCSFUGZTADA-HOSHDJOUSA-N 0 0 533.763 7.746 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000013881269 553493958 /nfs/dbraw/zinc/49/39/58/553493958.db2.gz GFWUGSWCEOSGLO-MCIITTDESA-N 0 0 501.631 6.069 50 10 KKCARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000013893754 553494416 /nfs/dbraw/zinc/49/44/16/553494416.db2.gz BSIDTPKHFRRIQQ-JCMHNJIXSA-N 0 0 504.073 6.343 50 10 KKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000013895145 553494540 /nfs/dbraw/zinc/49/45/40/553494540.db2.gz KZRYXWLRAFFJMS-XDHOZWIPSA-N 0 0 508.459 5.411 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000013896790 553494896 /nfs/dbraw/zinc/49/48/96/553494896.db2.gz WRMJFKRXCQHCCS-QFZYHVLNSA-N 0 0 513.019 5.472 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 ZINC000013899506 553495236 /nfs/dbraw/zinc/49/52/36/553495236.db2.gz IHFGKMXXJYWWIE-CGYHDWOCSA-N 0 0 520.655 5.689 50 10 KKCARN Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000013940278 553496149 /nfs/dbraw/zinc/49/61/49/553496149.db2.gz UKBJPBUJPIPBKT-ONUIUJJFSA-N 0 0 524.107 7.206 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000013940283 553496210 /nfs/dbraw/zinc/49/62/10/553496210.db2.gz ZYBWSZPBBHFNBF-GVNNNEBHSA-N 0 0 519.410 5.489 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4C)c(OCC)c3)C2=N)S1 ZINC000013940325 553496295 /nfs/dbraw/zinc/49/62/95/553496295.db2.gz MZMKORXBPZTEMT-SVWNWVSSSA-N 0 0 527.046 5.924 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(OC)c3)C2=N)S1 ZINC000013940604 553496302 /nfs/dbraw/zinc/49/63/02/553496302.db2.gz IBLNDCPAXJTUOF-HBPCKDBWSA-N 0 0 513.019 5.616 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCOc1ccccc1Cl ZINC000013940662 553496534 /nfs/dbraw/zinc/49/65/34/553496534.db2.gz RHOOTJOKUCKAHD-QNGOZBTKSA-N 0 0 511.405 6.656 50 10 KKCARN CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000013942348 553496646 /nfs/dbraw/zinc/49/66/46/553496646.db2.gz MGMSWUUKUQJHFW-DEDYPNTBSA-N 0 0 510.508 6.970 50 10 KKCARN CCc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000013943540 553497067 /nfs/dbraw/zinc/49/70/67/553497067.db2.gz JVMXWAWEHONFEG-ITYLOYPMSA-N 0 0 524.107 7.152 50 10 KKCARN Cc1cc(C2=NNC(=Nc3ccc(SC(F)F)cc3)SC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000014360226 553513846 /nfs/dbraw/zinc/51/38/46/553513846.db2.gz ROQAKMOUIJGXPR-UHFFFAOYSA-N 0 0 510.557 7.347 50 10 KKCARN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1Cc1ccccc1 ZINC000015011815 553525416 /nfs/dbraw/zinc/52/54/16/553525416.db2.gz MSJUTFKUHDYBQV-WYMPLXKRSA-N 0 0 509.483 7.398 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000016006784 553550108 /nfs/dbraw/zinc/55/01/08/553550108.db2.gz LBNIJUQIRXNRNY-DTXPUJKBSA-N 0 0 513.568 6.450 50 10 KKCARN CC(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016007220 553550242 /nfs/dbraw/zinc/55/02/42/553550242.db2.gz LLWSUTAUSNSZOE-QAXCHELISA-N 0 0 523.632 7.126 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000016038985 553552736 /nfs/dbraw/zinc/55/27/36/553552736.db2.gz OJTGUMHOECYUAW-CCDWMCETSA-N 0 0 507.546 5.132 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1C ZINC000016700759 553574550 /nfs/dbraw/zinc/57/45/50/553574550.db2.gz XZZCCTQTVZEJGR-UQQQWYQISA-N 0 0 503.693 6.780 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(C)c1 ZINC000016701081 553574744 /nfs/dbraw/zinc/57/47/44/553574744.db2.gz CWSMAWFJVXOBSE-LTXUPPABSA-N 0 0 516.667 5.716 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)c2cc(Br)ccc21 ZINC000016730771 553576721 /nfs/dbraw/zinc/57/67/21/553576721.db2.gz CWMRXFYPOVEAJT-JHBCHSCWSA-N 0 0 523.562 6.774 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 ZINC000016731351 553577049 /nfs/dbraw/zinc/57/70/49/553577049.db2.gz VJSMVROXEJISCY-VXPUYCOJSA-N 0 0 501.471 5.676 50 10 KKCARN O=C1/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC(=S)N1C1CCCCC1 ZINC000016731858 553577288 /nfs/dbraw/zinc/57/72/88/553577288.db2.gz QQEQQGUWGZFJSY-MRCUWXFGSA-N 0 0 513.482 5.900 50 10 KKCARN CCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)C1=O ZINC000016732085 553577540 /nfs/dbraw/zinc/57/75/40/553577540.db2.gz GTECBNBYPDLGKB-VXPUYCOJSA-N 0 0 517.470 5.028 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1Cl ZINC000016733106 553577955 /nfs/dbraw/zinc/57/79/55/553577955.db2.gz AACBCMNBYQKWAT-XYLCRUHJSA-N 0 0 512.100 6.981 50 10 KKCARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016790763 553582468 /nfs/dbraw/zinc/58/24/68/553582468.db2.gz VVVNZRHSLNLVRB-BYPXAMRWSA-N 0 0 518.487 6.585 50 10 KKCARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000016790688 553582488 /nfs/dbraw/zinc/58/24/88/553582488.db2.gz SIJXHAYISYGVCW-BKWYIPCTSA-N 0 0 514.910 7.171 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000016791072 553582676 /nfs/dbraw/zinc/58/26/76/553582676.db2.gz DBGCDSHAPAMASB-VKINRBECSA-N 0 0 520.680 6.865 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S ZINC000016791066 553582723 /nfs/dbraw/zinc/58/27/23/553582723.db2.gz YMMDIPPCYUNDRK-JTOYMXJDSA-N 0 0 505.709 6.966 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000016805269 553582831 /nfs/dbraw/zinc/58/28/31/553582831.db2.gz GSNAYIMIJCJJON-GJQHCVRFSA-N 0 0 502.064 7.155 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1 ZINC000017264943 553591859 /nfs/dbraw/zinc/59/18/59/553591859.db2.gz CAODZKBLLGKNNI-QQTULTPQSA-N 0 0 504.586 6.661 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000017969576 553601132 /nfs/dbraw/zinc/60/11/32/553601132.db2.gz PAEZAUXQWQKQKJ-PCCBWWKXSA-N 0 0 525.866 5.054 50 10 KKCARN CCCCCc1ccc(C(O)=C2[C@@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070672935 553603043 /nfs/dbraw/zinc/60/30/43/553603043.db2.gz YBHJPAROSWUPBF-IMNMKIORSA-N 0 0 534.656 5.990 50 10 biogenic KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000070673164 553603528 /nfs/dbraw/zinc/60/35/28/553603528.db2.gz DPNATJNYDNJTBA-RWSKJCERSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000018127743 553605705 /nfs/dbraw/zinc/60/57/05/553605705.db2.gz KTHKWXWVCFLWDE-UYRXBGFRSA-N 0 0 500.070 6.084 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000070687063 553606160 /nfs/dbraw/zinc/60/61/60/553606160.db2.gz HMQBUXDCTMCLFJ-MJSOWUPRSA-N 0 0 525.604 6.320 50 10 biogenic KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000070687039 553606166 /nfs/dbraw/zinc/60/61/66/553606166.db2.gz YXUDLUCABYSHGV-GSBZAIBZSA-N 0 0 539.587 5.928 50 10 biogenic KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000070687230 553606438 /nfs/dbraw/zinc/60/64/38/553606438.db2.gz IPEGLIQXORRPHH-YKILCQELSA-N 0 0 555.630 6.329 50 10 biogenic KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 ZINC000018193741 553608367 /nfs/dbraw/zinc/60/83/67/553608367.db2.gz HYOZLPAAEXYFTE-OYKKKHCWSA-N 0 0 505.552 5.664 50 10 KKCARN O=C(c1ccccc1)c1ccc(Cl)cc1Nc1nc2cc(Cl)ccc2c(-c2ccccc2)c1Cl ZINC000079047081 553665739 /nfs/dbraw/zinc/66/57/39/553665739.db2.gz HDXRPMRQKDTNTP-UHFFFAOYSA-N 0 0 503.816 8.837 50 10 KKCARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079204359 553669615 /nfs/dbraw/zinc/66/96/15/553669615.db2.gz BVLGDALJKFDSIM-BAVAXVQKSA-N 0 0 664.927 10.792 50 10 biogenic KKCARN COc1cc(/C=C2/C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000083312882 553676677 /nfs/dbraw/zinc/67/66/77/553676677.db2.gz PODKKZMLVCJCRU-FYJGNVAPSA-N 0 0 512.547 5.575 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cc(C)cc(C)c3)ccc21 ZINC000020730884 553691829 /nfs/dbraw/zinc/69/18/29/553691829.db2.gz ZULFOCWSNBLZRO-UHFFFAOYSA-N 0 0 508.776 5.777 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(Cl)cc3OC)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000020731215 553691863 /nfs/dbraw/zinc/69/18/63/553691863.db2.gz SOPKPDFUTOUOHO-NBGIEHNGSA-N 0 0 500.152 7.289 50 10 KKCARN CCCCN1CCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(Cl)ccc3OC)ccc21 ZINC000020731870 553692246 /nfs/dbraw/zinc/69/22/46/553692246.db2.gz LJEPBKGAFFISQS-UHFFFAOYSA-N 0 0 517.139 5.042 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000020114542 553695718 /nfs/dbraw/zinc/69/57/18/553695718.db2.gz SEMPDEJMXNVLRJ-MZLPUNMDSA-N 0 0 517.032 5.054 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763917 553696333 /nfs/dbraw/zinc/69/63/33/553696333.db2.gz IGLPEVYRQKXAIM-LADGPHEKSA-N 0 0 520.254 7.083 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764628 553696626 /nfs/dbraw/zinc/69/66/26/553696626.db2.gz FJGSSBRNIJTKMB-WIOPSUGQSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764632 553696672 /nfs/dbraw/zinc/69/66/72/553696672.db2.gz FJGSSBRNIJTKMB-DHLKQENFSA-N 0 0 515.835 6.438 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cc(Br)ccc2F)N1 ZINC000020764843 553697044 /nfs/dbraw/zinc/69/70/44/553697044.db2.gz REUYQEFEHSCAHT-AUSIDOKSSA-N 0 0 503.755 5.898 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764862 553697076 /nfs/dbraw/zinc/69/70/76/553697076.db2.gz VPOFWIDKIBXCCK-LADGPHEKSA-N 0 0 503.799 6.568 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1C ZINC000021540264 553712247 /nfs/dbraw/zinc/71/22/47/553712247.db2.gz MUVJWEZVTXSZGU-XHLNEMQHSA-N 0 0 510.597 6.691 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC(=S)N1Cc1ccccc1 ZINC000096022184 553719974 /nfs/dbraw/zinc/71/99/74/553719974.db2.gz HHUJXZLGWHKNPM-QOMWVZHYSA-N 0 0 552.725 5.555 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000022063377 553725409 /nfs/dbraw/zinc/72/54/09/553725409.db2.gz FOWRTVPWRSVVKL-WTPQPOPRSA-N 0 0 506.628 5.435 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(C)C ZINC000096292291 553745885 /nfs/dbraw/zinc/74/58/85/553745885.db2.gz HNDPGOSDDCICRI-UHFFFAOYSA-N 0 0 530.518 5.795 50 10 KKCARN CC[C@H](C)c1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1 ZINC000096576481 553756109 /nfs/dbraw/zinc/75/61/09/553756109.db2.gz QGORYCBWFVUVRU-RXXUYSKQSA-N 0 0 513.667 6.509 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000097944134 553768723 /nfs/dbraw/zinc/76/87/23/553768723.db2.gz KJBDWNXATMTSJJ-UHFFFAOYSA-N 0 0 539.700 5.439 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000097944348 553769293 /nfs/dbraw/zinc/76/92/93/553769293.db2.gz NTWKXYFMNTWUJW-XKZIYDEJSA-N 0 0 549.812 5.617 50 10 KKCARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCC1 ZINC000097944490 553769802 /nfs/dbraw/zinc/76/98/02/553769802.db2.gz ZFMGEPZDDCDGDY-NHDPSOOVSA-N 0 0 557.362 7.869 50 10 KKCARN O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000097945270 553770893 /nfs/dbraw/zinc/77/08/93/553770893.db2.gz QKHDZDNBMJDWLB-UHFFFAOYSA-N 0 0 519.409 7.002 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097946047 553776122 /nfs/dbraw/zinc/77/61/22/553776122.db2.gz RSQPPYJPTIHPQS-HYARGMPZSA-N 0 0 539.034 5.422 50 10 KKCARN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4Cl)C3=O)cc2)cc1 ZINC000097946050 553776151 /nfs/dbraw/zinc/77/61/51/553776151.db2.gz GVYZXRUQNKNEBA-STZFKDTASA-N 0 0 525.007 5.114 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(Cl)cc1 ZINC000097946110 553776664 /nfs/dbraw/zinc/77/66/64/553776664.db2.gz PNZAFTPNWZZDJP-HAHDFKILSA-N 0 0 611.145 6.491 50 10 KKCARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000097946126 553776679 /nfs/dbraw/zinc/77/66/79/553776679.db2.gz ZBZJVVAFJUJUQX-ULJHMMPZSA-N 0 0 572.737 6.007 50 10 KKCARN COc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000097946135 553776983 /nfs/dbraw/zinc/77/69/83/553776983.db2.gz GCFWPPNHARQLBJ-JLPGSUDCSA-N 0 0 623.181 6.361 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC)C2=O)cc1 ZINC000097946226 553777666 /nfs/dbraw/zinc/77/76/66/553777666.db2.gz CJMUQMKOTSAHGC-SLMZUGIISA-N 0 0 547.790 8.280 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCc1ccccc1 ZINC000097946227 553777722 /nfs/dbraw/zinc/77/77/22/553777722.db2.gz JRJAXPDUMIMVMO-VAMRJTSQSA-N 0 0 573.743 7.562 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(Br)c1 ZINC000097946377 553778764 /nfs/dbraw/zinc/77/87/64/553778764.db2.gz XLHJTOUUAANPIG-UCQKPKSFSA-N 0 0 672.051 7.115 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S)c1ccccc1Cl ZINC000097946349 553778776 /nfs/dbraw/zinc/77/87/76/553778776.db2.gz NSFCKAUMYBSBLX-HMAPJEAMSA-N 0 0 535.025 5.878 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c1 ZINC000097946433 553779297 /nfs/dbraw/zinc/77/92/97/553779297.db2.gz HKLVWQNDOCUHIJ-VEILYXNESA-N 0 0 555.725 7.047 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)SC2=S)cc1 ZINC000097946467 553779508 /nfs/dbraw/zinc/77/95/08/553779508.db2.gz JQAHRJMBJUIGKN-IMRQLAEWSA-N 0 0 541.698 6.309 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1F ZINC000097946493 553779765 /nfs/dbraw/zinc/77/97/65/553779765.db2.gz QCIZQCGJEDRUAH-MYYYXRDXSA-N 0 0 533.625 6.618 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000097946525 553780015 /nfs/dbraw/zinc/78/00/15/553780015.db2.gz PUEUJRYLJQEBHN-VEILYXNESA-N 0 0 606.169 7.053 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000097946518 553780036 /nfs/dbraw/zinc/78/00/36/553780036.db2.gz UTXRQGAVABTCIK-OVZSPSEASA-N 0 0 554.181 8.009 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)SC2=S)cc1 ZINC000097946623 553780511 /nfs/dbraw/zinc/78/05/11/553780511.db2.gz RBSKWADRSCMAAR-IMRQLAEWSA-N 0 0 541.698 6.309 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000097946654 553780752 /nfs/dbraw/zinc/78/07/52/553780752.db2.gz LNWWKDRSWSONHC-BWAHOGKJSA-N 0 0 540.154 7.763 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1Cl ZINC000097946663 553781122 /nfs/dbraw/zinc/78/11/22/553781122.db2.gz MKUGTCBNNOLCAI-VAMRJTSQSA-N 0 0 597.184 7.907 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4sc5cc(C)ccc5c4Cl)cc3)SC2=S)cc1OC ZINC000097946970 553782596 /nfs/dbraw/zinc/78/25/96/553782596.db2.gz HIHNTCVXDPHVHI-XYGWBWBKSA-N 0 0 610.178 7.543 50 10 KKCARN COc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097946987 553782617 /nfs/dbraw/zinc/78/26/17/553782617.db2.gz VTTCJPDMGXOKIX-GMPUOFRTSA-N 0 0 607.968 6.602 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000097946976 553782687 /nfs/dbraw/zinc/78/26/87/553782687.db2.gz YAAOOYSFSCQAJG-NWRYFCBHSA-N 0 0 584.549 5.816 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097946999 553782834 /nfs/dbraw/zinc/78/28/34/553782834.db2.gz QFVOYHIMNYPFCL-UOEIQIBISA-N 0 0 581.930 6.747 50 10 KKCARN CCCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947015 553782849 /nfs/dbraw/zinc/78/28/49/553782849.db2.gz WQZNUHFHFMRTKE-VNSJDZJPSA-N 0 0 618.004 6.139 50 10 KKCARN CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947021 553783152 /nfs/dbraw/zinc/78/31/52/553783152.db2.gz YGGJTRZUZZXKAG-PGNDWZGLSA-N 0 0 529.898 6.002 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1C ZINC000097947143 553783867 /nfs/dbraw/zinc/78/38/67/553783867.db2.gz JFNCABJNJZPOKX-SXBRIOAWSA-N 0 0 538.651 7.471 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Oc3cc4sc(=O)oc4c(-c4ccc(OC)cc4)c3)C2=O)cc1 ZINC000097947157 553784100 /nfs/dbraw/zinc/78/41/00/553784100.db2.gz IPXLCCZRVWGPQL-QRVIBDJDSA-N 0 0 579.677 5.736 50 10 KKCARN Cc1ccc(-c2cc(OC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc3sc(=O)oc32)cc1 ZINC000097947152 553784154 /nfs/dbraw/zinc/78/41/54/553784154.db2.gz ORCKQUJDDUDFTK-UUYOSTAYSA-N 0 0 568.097 6.680 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1CCc1ccccc1 ZINC000097947206 553784515 /nfs/dbraw/zinc/78/45/15/553784515.db2.gz YJTZNEMUOJFAIF-DXJNIWACSA-N 0 0 642.633 8.869 50 10 KKCARN CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000097947259 553785044 /nfs/dbraw/zinc/78/50/44/553785044.db2.gz PVKHKFBWMIKMOF-SXBRIOAWSA-N 0 0 577.754 6.506 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3OC)CC2)SC1=S ZINC000097947685 553788135 /nfs/dbraw/zinc/78/81/35/553788135.db2.gz RGLXTQWIXNEORN-PLRJNAJWSA-N 0 0 577.776 5.120 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947741 553788703 /nfs/dbraw/zinc/78/87/03/553788703.db2.gz YAUPAUVAIZWCAT-MOHJPFBDSA-N 0 0 565.740 5.250 50 10 KKCARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000097948264 553792564 /nfs/dbraw/zinc/79/25/64/553792564.db2.gz HPTVRJADOYVXBC-HHHXNRCGSA-N 0 0 560.433 6.704 50 10 KKCARN Cc1ccc(C2=NN(C(=O)CC34C[C@H]5C[C@@H](C3)CC(n3cc(Br)c([N+](=O)[O-])n3)(C5)C4)[C@H](c3ccccc3O)C2)o1 ZINC000097948859 553797388 /nfs/dbraw/zinc/79/73/88/553797388.db2.gz ZUEUMNFVVPMPMB-SWSNFXBRSA-N 0 0 608.493 6.224 50 10 KKCARN CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025578530 553811146 /nfs/dbraw/zinc/81/11/46/553811146.db2.gz MBBQXROXFPTUOS-VWNXMTODSA-N 0 0 517.254 7.064 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000026532092 553819192 /nfs/dbraw/zinc/81/91/92/553819192.db2.gz HMNSANQMTRQMCX-SIVNAXGJSA-N 0 0 504.681 5.139 50 10 KKCARN CN(C)c1ccc(CN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000097953944 553820052 /nfs/dbraw/zinc/82/00/52/553820052.db2.gz JBWQIEACEMBUCP-INIZCTEOSA-N 0 0 531.914 5.757 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026965772 553822624 /nfs/dbraw/zinc/82/26/24/553822624.db2.gz GZPPDWJUMUWKHC-HMAPJEAMSA-N 0 0 506.561 5.224 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000027023936 553824576 /nfs/dbraw/zinc/82/45/76/553824576.db2.gz RLHRJRKDJMNLMI-RABNJEPRSA-N 0 0 509.031 5.281 50 10 KKCARN Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000027026051 553824867 /nfs/dbraw/zinc/82/48/67/553824867.db2.gz PSGZHFCINRJPKM-PKAZHMFMSA-N 0 0 509.700 7.373 50 10 KKCARN Cc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Br)cc1Cl ZINC000027520817 553827007 /nfs/dbraw/zinc/82/70/07/553827007.db2.gz HRABINWBVBSAOF-OEAKJJBVSA-N 0 0 512.835 5.887 50 10 KKCARN COc1ccc(C(=O)C(=NNc2ccc([N+](=O)[O-])cc2)Sc2nnc(COc3ccccc3)o2)cc1 ZINC000027526064 553829988 /nfs/dbraw/zinc/82/99/88/553829988.db2.gz ZGBWCCXEBXCKCZ-CZIABVEASA-N 0 0 505.512 6.326 50 10 KKCARN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NCc1cc(Br)ccc1O ZINC000027532170 553832008 /nfs/dbraw/zinc/83/20/08/553832008.db2.gz LKJMVHRVTYVMEA-UHFFFAOYSA-N 0 0 501.178 5.038 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2)cc1 ZINC000027549347 553833545 /nfs/dbraw/zinc/83/35/45/553833545.db2.gz XDJSTHDTQKEYGT-SUJAKXCHSA-N 0 0 512.591 5.015 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C2=N)S1 ZINC000027549310 553833580 /nfs/dbraw/zinc/83/35/80/553833580.db2.gz NGVUFODPDNUJBR-XVCGDLFISA-N 0 0 501.612 5.538 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=N)S1 ZINC000027549314 553833600 /nfs/dbraw/zinc/83/36/00/553833600.db2.gz NHAZRRJGNRUOGF-KOKPDDJTSA-N 0 0 501.612 5.538 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c3ccccc32)cc1 ZINC000027549703 553833799 /nfs/dbraw/zinc/83/37/99/553833799.db2.gz MNLFLQVQNYDILC-XVCGDLFISA-N 0 0 501.612 5.394 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(OCC)c3)C2=N)S1 ZINC000027549402 553833803 /nfs/dbraw/zinc/83/38/03/553833803.db2.gz BCTHEHVMNXCHCA-CLBQFBSBSA-N 0 0 520.655 5.969 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4[C@@H](C)CC)c(OC)c3)C2=N)S1 ZINC000027549739 553833816 /nfs/dbraw/zinc/83/38/16/553833816.db2.gz SRVHPEUNZZSNFP-GQPHKWDXSA-N 0 0 506.628 5.696 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000027549836 553834093 /nfs/dbraw/zinc/83/40/93/553834093.db2.gz ZZHRYCBTXOIKOP-CSEHATQYSA-N 0 0 520.655 5.825 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000027549911 553834408 /nfs/dbraw/zinc/83/44/08/553834408.db2.gz WJPHYSAGXZLBKG-AQRUSWPISA-N 0 0 527.046 5.698 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C ZINC000027572666 553835191 /nfs/dbraw/zinc/83/51/91/553835191.db2.gz ZQLMWLIAQZWEFI-RRABYFSWSA-N 0 0 512.031 5.980 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000028467470 553842664 /nfs/dbraw/zinc/84/26/64/553842664.db2.gz ZSQZLCLFRJRALB-DZAWMCJLSA-N 0 0 530.694 6.044 50 10 KKCARN Cc1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccc4c5ccccc5[nH]c(=O)c4c3)C2=O)c(Cl)c1 ZINC000029059552 553844302 /nfs/dbraw/zinc/84/43/02/553844302.db2.gz QXIMMNOAUAXVJF-ULDVOPSXSA-N 0 0 532.987 8.170 50 10 KKCARN CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccccc1Cl ZINC000029061432 553844381 /nfs/dbraw/zinc/84/43/81/553844381.db2.gz NWIBNQGTUBWBJE-UHFFFAOYSA-N 0 0 552.118 8.090 50 10 KKCARN CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O ZINC000029464717 553845058 /nfs/dbraw/zinc/84/50/58/553845058.db2.gz PQAPVTKIEGUPRN-UHFFFAOYSA-N 0 0 573.711 6.900 50 10 in-vivo KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(Br)c1 ZINC000097957638 553846957 /nfs/dbraw/zinc/84/69/57/553846957.db2.gz ZAUDFQMVPQHKHV-STZFKDTASA-N 0 0 643.635 6.523 50 10 KKCARN CN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(Br)cc3)c(Cl)c2)SC1=S ZINC000097957771 553848174 /nfs/dbraw/zinc/84/81/74/553848174.db2.gz UZTJCSFOQFWYKG-YBEGLDIGSA-N 0 0 519.269 6.045 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000097957749 553848199 /nfs/dbraw/zinc/84/81/99/553848199.db2.gz CWEPYXSXUZOUQB-JCMHNJIXSA-N 0 0 532.470 6.866 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000097957896 553849523 /nfs/dbraw/zinc/84/95/23/553849523.db2.gz HVTWJVAQVIVIQG-JSKQJKLSSA-N 0 0 533.009 5.474 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000097957990 553850171 /nfs/dbraw/zinc/85/01/71/553850171.db2.gz QZHASDSRTJPUFW-WSDLNYQXSA-N 0 0 595.367 8.139 50 10 KKCARN COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1OCCCOc1cc(C)ccc1C(C)C ZINC000097958056 553850867 /nfs/dbraw/zinc/85/08/67/553850867.db2.gz DMIYSJNVLHQXOY-DIBXZPPDSA-N 0 0 533.715 7.381 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1C ZINC000097958098 553851141 /nfs/dbraw/zinc/85/11/41/553851141.db2.gz MOHKTZUIBALDSZ-NLRVBDNBSA-N 0 0 554.133 7.609 50 10 KKCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCCCOc1cc(C)ccc1C(C)C ZINC000097958192 553852017 /nfs/dbraw/zinc/85/20/17/553852017.db2.gz URNSUVMSLPCWJE-USHMODERSA-N 0 0 547.742 7.376 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000097958590 553856234 /nfs/dbraw/zinc/85/62/34/553856234.db2.gz KENNYBVSXVLOBX-VBXMAEBYSA-N 0 0 541.073 6.089 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)ccc1O ZINC000097958643 553856533 /nfs/dbraw/zinc/85/65/33/553856533.db2.gz XDNXKQOUOYZIJA-CPNJWEJPSA-N 0 0 522.051 6.633 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OCCOc5cc(C)ccc5C(C)C)cc4)C3=N)S2)cc1 ZINC000097958713 553857033 /nfs/dbraw/zinc/85/70/33/553857033.db2.gz RKACQBOKKWXLBW-GNNJAAHJSA-N 0 0 538.673 6.552 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000097958698 553857121 /nfs/dbraw/zinc/85/71/21/553857121.db2.gz YMKKRGSSQVULEH-FUZDUSJCSA-N 0 0 589.117 6.789 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000097958971 553859358 /nfs/dbraw/zinc/85/93/58/553859358.db2.gz CSYICJLLNNDRJW-MFARRGDHSA-N 0 0 588.711 5.980 50 10 KKCARN Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097959104 553860647 /nfs/dbraw/zinc/86/06/47/553860647.db2.gz DFXNVEDCZXGTMS-SXFYGQMCSA-N 0 0 535.629 5.727 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl ZINC000097959144 553861136 /nfs/dbraw/zinc/86/11/36/553861136.db2.gz FGUCQIXIBUWBRG-IYTGCVATSA-N 0 0 577.062 5.677 50 10 KKCARN Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000097959182 553861311 /nfs/dbraw/zinc/86/13/11/553861311.db2.gz YMVMLKFCTDUKBV-JLPGSUDCSA-N 0 0 554.531 6.925 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc(OC)c1OC ZINC000097959193 553861733 /nfs/dbraw/zinc/86/17/33/553861733.db2.gz LFZWCIQNCNJGQX-UNOMPAQXSA-N 0 0 552.077 6.554 50 10 KKCARN N=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000032109366 553862839 /nfs/dbraw/zinc/86/28/39/553862839.db2.gz HWTLBHKMNTZMOL-XNEJFSKVSA-N 0 0 502.983 5.465 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(I)c1OCc1ccccc1C ZINC000097959549 553864604 /nfs/dbraw/zinc/86/46/04/553864604.db2.gz BVHCZIYFLVQLPR-JBVVKUDMSA-N 0 0 656.933 6.898 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000097960937 553874426 /nfs/dbraw/zinc/87/44/26/553874426.db2.gz SANHYTAIRCHDPF-LJUMEUDFSA-N 0 0 598.212 7.779 50 10 KKCARN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000097960987 553874740 /nfs/dbraw/zinc/87/47/40/553874740.db2.gz UTCWUWFQJRQECR-MIXAMLLLSA-N 0 0 618.586 7.934 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1ccccc1 ZINC000097961854 553881151 /nfs/dbraw/zinc/88/11/51/553881151.db2.gz TVNHJULPHNNUAM-FYJGNVAPSA-N 0 0 543.439 5.713 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000097961857 553881188 /nfs/dbraw/zinc/88/11/88/553881188.db2.gz ZAFVAODRRKNELN-WSDLNYQXSA-N 0 0 685.392 7.122 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S)c1ccccc1 ZINC000097962145 553883345 /nfs/dbraw/zinc/88/33/45/553883345.db2.gz QNSNQKKZAHLAQS-FSJBWODESA-N 0 0 538.481 6.543 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000097962203 553883549 /nfs/dbraw/zinc/88/35/49/553883549.db2.gz AYUWSJQGUDMXTF-SSDVNMTOSA-N 0 0 520.434 7.126 50 10 KKCARN O=C1/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000097962216 553883894 /nfs/dbraw/zinc/88/38/94/553883894.db2.gz HODSGLJFUHXGPA-AWQFTUOYSA-N 0 0 631.745 8.128 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000097962220 553883902 /nfs/dbraw/zinc/88/39/02/553883902.db2.gz KIABCYVAJZBMSA-FSJBWODESA-N 0 0 559.040 5.920 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 ZINC000097962767 553885438 /nfs/dbraw/zinc/88/54/38/553885438.db2.gz HCYFJKXKKPDNRK-ANYBSYGZSA-N 0 0 557.679 6.912 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C(C)(C)C)cc4)c(OCC)c3)C2=N)S1 ZINC000097962972 553886014 /nfs/dbraw/zinc/88/60/14/553886014.db2.gz ZJYITJDAIWUSQF-UWUSAIRYSA-N 0 0 569.127 6.913 50 10 KKCARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040556 553893754 /nfs/dbraw/zinc/89/37/54/553893754.db2.gz OZOYUVLYTXYGOU-LJAQVGFWSA-N 0 0 510.707 7.238 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c(Cl)c1 ZINC000033040561 553893777 /nfs/dbraw/zinc/89/37/77/553893777.db2.gz TVWNTOXFQWTIDB-MUUNZHRXSA-N 0 0 531.125 7.583 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CCCC4)cc1 ZINC000033040604 553893927 /nfs/dbraw/zinc/89/39/27/553893927.db2.gz ONIJDYDNEJKTRK-MHZLTWQESA-N 0 0 500.643 6.760 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCCc2ccccc2)CCCC4)cc1 ZINC000033040621 553893937 /nfs/dbraw/zinc/89/39/37/553893937.db2.gz TUNZHZLXUXJZPS-LJAQVGFWSA-N 0 0 510.707 6.341 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(C)c1C)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051195 553895727 /nfs/dbraw/zinc/89/57/27/553895727.db2.gz HFCHYEWXWKKKPV-HKBQPEDESA-N 0 0 530.676 6.791 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NC1CCCCC1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051223 553895947 /nfs/dbraw/zinc/89/59/47/553895947.db2.gz LNAKEQIJJYDHSH-LJAQVGFWSA-N 0 0 508.670 5.985 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000097964114 553896335 /nfs/dbraw/zinc/89/63/35/553896335.db2.gz ILHOEPZCUXGXHL-ZSJKCPIUSA-N 0 0 583.607 5.364 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cccc(C)c3N(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000097964189 553896536 /nfs/dbraw/zinc/89/65/36/553896536.db2.gz FZRWCSRYZOLZKM-IVQJCJPDSA-N 0 0 640.808 6.867 50 10 KKCARN Cc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c2ccccc21 ZINC000097964933 553901926 /nfs/dbraw/zinc/90/19/26/553901926.db2.gz ADOGCZLXOYHIRJ-PSOJVXFXSA-N 0 0 563.683 6.425 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)/C=C/c4ccc(C)cc4)cc3)SC2=S)cc1OC ZINC000097965056 553902540 /nfs/dbraw/zinc/90/25/40/553902540.db2.gz JUMYTUFFCGXHQV-ALRPPUQPSA-N 0 0 545.682 6.075 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965143 553903005 /nfs/dbraw/zinc/90/30/05/553903005.db2.gz BADOSCREKVTTDG-RSIJKLHNSA-N 0 0 557.536 7.018 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965146 553903029 /nfs/dbraw/zinc/90/30/29/553903029.db2.gz BADOSCREKVTTDG-LLAXRNSASA-N 0 0 557.536 7.018 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965145 553903081 /nfs/dbraw/zinc/90/30/81/553903081.db2.gz BADOSCREKVTTDG-NWOZGMPVSA-N 0 0 557.536 7.018 50 10 KKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000097965587 553905518 /nfs/dbraw/zinc/90/55/18/553905518.db2.gz RTNUNGZJUVBVEZ-ATXIYDNESA-N 0 0 524.584 9.022 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4coc5ccc(F)cc5c4=O)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965894 553905795 /nfs/dbraw/zinc/90/57/95/553905795.db2.gz HVEMACWDKUPMDE-UHQPTKGBSA-N 0 0 632.761 5.860 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000097966235 553907645 /nfs/dbraw/zinc/90/76/45/553907645.db2.gz ZPPPUCDGQXDVBE-DNRRMPEUSA-N 0 0 571.472 6.375 50 10 KKCARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000097966227 553907660 /nfs/dbraw/zinc/90/76/60/553907660.db2.gz WMANCFZCRYVEOO-JOFJPVPMSA-N 0 0 537.022 5.084 50 10 KKCARN Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc2)CCCCC3)cc1 ZINC000033114847 553911208 /nfs/dbraw/zinc/91/12/08/553911208.db2.gz QZSBMWLBOHEURL-UHFFFAOYSA-N 0 0 507.634 5.913 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccccc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266830 553917505 /nfs/dbraw/zinc/91/75/05/553917505.db2.gz MUARGFJYRGXKKW-LJAQVGFWSA-N 0 0 502.622 6.175 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(F)c1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266861 553917562 /nfs/dbraw/zinc/91/75/62/553917562.db2.gz ASLJMDPSAPGFJL-GDLZYMKVSA-N 0 0 520.612 6.314 50 10 KKCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033347635 553921818 /nfs/dbraw/zinc/92/18/18/553921818.db2.gz WQTLUICFSGIEKW-CEUNXORHSA-N 0 0 519.670 6.768 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)c(C)cc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000033347458 553921827 /nfs/dbraw/zinc/92/18/27/553921827.db2.gz DFOFPCDCPWLMIO-YYADALCUSA-N 0 0 509.718 6.899 50 10 KKCARN CCCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)N=C3C)o2)ccc1Cl ZINC000033353261 553924235 /nfs/dbraw/zinc/92/42/35/553924235.db2.gz DAIAOGWGWGWGIV-QNGOZBTKSA-N 0 0 541.829 7.126 50 10 KKCARN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000033353550 553925934 /nfs/dbraw/zinc/92/59/34/553925934.db2.gz XHUKWSRZTVGIJD-UHFFFAOYSA-N 0 0 529.456 5.709 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000033355179 553933479 /nfs/dbraw/zinc/93/34/79/553933479.db2.gz UPQDMOORTOLYCU-CAOOACKPSA-N 0 0 575.792 5.746 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Br)cc1 ZINC000033355278 553933954 /nfs/dbraw/zinc/93/39/54/553933954.db2.gz KLYBIUZHJWOXQZ-DRLORSAXSA-N 0 0 522.826 6.969 50 10 KKCARN CN(C)c1ccc2c3c(ccc(N(C)C)c13)C1(C(F)(F)F)OC2(C(F)(F)F)c2ccc(N(C)C)c3c(N(C)C)ccc1c23 ZINC000033355576 553935590 /nfs/dbraw/zinc/93/55/90/553935590.db2.gz OSZWAMRNDSPUPZ-UHFFFAOYSA-N 0 0 602.623 7.212 50 10 KKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000033355615 553935777 /nfs/dbraw/zinc/93/57/77/553935777.db2.gz UPVXWCMHDKQKJH-YUMHPJSZSA-N 0 0 686.983 7.467 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccccc3F)C(=O)c3ccccc3[S@@]4=O)CC2)cc1 ZINC000033356421 553941455 /nfs/dbraw/zinc/94/14/55/553941455.db2.gz JGMSNIZVCNWPQO-VQJSHJPSSA-N 0 0 569.658 5.124 50 10 KKCARN N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000033356528 553942322 /nfs/dbraw/zinc/94/23/22/553942322.db2.gz IQRHKAHGVPXOIT-NJABPNOBSA-N 0 0 525.080 6.735 50 10 KKCARN CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1 ZINC000097970351 553953007 /nfs/dbraw/zinc/95/30/07/553953007.db2.gz VVDOKBCTHKORQP-LFYBBSHMSA-N 0 0 562.238 6.534 50 10 KKCARN CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000097970575 553955928 /nfs/dbraw/zinc/95/59/28/553955928.db2.gz FDGKAHXSMKDWRD-ULJHMMPZSA-N 0 0 552.747 5.324 50 10 KKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)cc1 ZINC000033403736 553958951 /nfs/dbraw/zinc/95/89/51/553958951.db2.gz KBOKRZMEQKTDCZ-XIEYBQDHSA-N 0 0 513.066 7.144 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC)C2=O)cc1 ZINC000033489932 553961240 /nfs/dbraw/zinc/96/12/40/553961240.db2.gz PSOPSSVRUFGDIA-NCELDCMTSA-N 0 0 505.709 7.110 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000033594888 553963830 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/nfs/dbraw/zinc/97/30/42/553973042.db2.gz VFEIETOQNYMHJI-NTKDMRAZSA-N 0 0 550.236 6.721 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccccc2NCCc2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000097977082 553974025 /nfs/dbraw/zinc/97/40/25/553974025.db2.gz AAMMFYZEJUQWPO-UHFFFAOYSA-N 0 0 553.005 7.043 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)NCCc1ccccc1 ZINC000033851219 553974957 /nfs/dbraw/zinc/97/49/57/553974957.db2.gz SDNJTTXNTSXZMP-HAVVHWLPSA-N 0 0 518.013 5.283 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000033893178 553976118 /nfs/dbraw/zinc/97/61/18/553976118.db2.gz RZAKOMBVLCDMMK-OZNIXHKMSA-N 0 0 519.528 5.744 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 ZINC000033910865 553976284 /nfs/dbraw/zinc/97/62/84/553976284.db2.gz BBRMLROMAJWAQT-QZMYASAMSA-N 0 0 504.681 5.202 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCC)C2=O)cc1 ZINC000034106260 553980565 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COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000100268783 554268640 /nfs/dbraw/zinc/26/86/40/554268640.db2.gz DBJDKEVHLAPEJN-JLPGSUDCSA-N 0 0 556.503 6.317 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100269784 554268826 /nfs/dbraw/zinc/26/88/26/554268826.db2.gz VEAKYUJFOSHEPQ-ANYBSYGZSA-N 0 0 545.726 7.607 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100299506 554290383 /nfs/dbraw/zinc/29/03/83/554290383.db2.gz VJNQCZUQFMCLBN-MYKKPKGFSA-N 0 0 540.106 6.876 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000100300008 554290644 /nfs/dbraw/zinc/29/06/44/554290644.db2.gz IFMHUQAWIHDYCV-XKZIYDEJSA-N 0 0 529.561 6.647 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000041076345 554292016 /nfs/dbraw/zinc/29/20/16/554292016.db2.gz RYURIWNGRIPPIH-YWFYUINISA-N 0 0 500.455 6.600 50 10 KKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)c3cccc(Cl)c3)cc1C2=O)c1cccc(Cl)c1 ZINC000043190982 554297711 /nfs/dbraw/zinc/29/77/11/554297711.db2.gz WTULGNOJNWYWRN-UHFFFAOYSA-N 0 0 515.352 6.273 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000044086393 554300566 /nfs/dbraw/zinc/30/05/66/554300566.db2.gz XFPDRLAOBPEXST-UHFFFAOYSA-N 0 0 512.860 6.745 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c(Br)c(Br)c1O ZINC000100319795 554304520 /nfs/dbraw/zinc/30/45/20/554304520.db2.gz JNMSPKNQIRWHBH-WZUFQYTHSA-N 0 0 535.019 6.039 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000100321191 554305498 /nfs/dbraw/zinc/30/54/98/554305498.db2.gz HWBGWDCLWVCBEN-FSJBWODESA-N 0 0 603.947 6.843 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100323369 554307226 /nfs/dbraw/zinc/30/72/26/554307226.db2.gz PMJJJYHETUCTIG-FMCGGJTJSA-N 0 0 584.557 6.985 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100326174 554310025 /nfs/dbraw/zinc/31/00/25/554310025.db2.gz KRYHBXPVNIFGDB-ZVHZXABRSA-N 0 0 588.976 8.103 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000049605398 554323901 /nfs/dbraw/zinc/32/39/01/554323901.db2.gz MHRTUQSKWZJHQM-OZNIXHKMSA-N 0 0 584.510 6.896 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100339374 554324273 /nfs/dbraw/zinc/32/42/73/554324273.db2.gz FHFCDXSFLPCZIJ-OEAKJJBVSA-N 0 0 574.949 7.794 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100339282 554324305 /nfs/dbraw/zinc/32/43/05/554324305.db2.gz MTWKDLSIFXHNGX-OEAKJJBVSA-N 0 0 585.501 7.049 50 10 KKCARN CC(C)c1ccc([C@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C(C)C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000049766782 554325635 /nfs/dbraw/zinc/32/56/35/554325635.db2.gz RFPMEPBFMUZGMY-XPSQVAKYSA-N 0 0 643.783 9.162 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000100341213 554325765 /nfs/dbraw/zinc/32/57/65/554325765.db2.gz CNAVTSPEBKKDCL-WSDLNYQXSA-N 0 0 546.895 7.096 50 10 KKCARN CN(C)c1ccc(Nc2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254729 554330449 /nfs/dbraw/zinc/33/04/49/554330449.db2.gz GSXPYJNOHSQBJB-UHFFFAOYSA-N 0 0 594.115 6.703 50 10 KKCARN CCCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC ZINC000100359806 554341265 /nfs/dbraw/zinc/34/12/65/554341265.db2.gz YMQAEJKLCGHZIU-CPNJWEJPSA-N 0 0 551.484 5.191 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3N=C(Nc3cccc(C(F)(F)F)c3)C1=N2 ZINC000053338165 554342829 /nfs/dbraw/zinc/34/28/29/554342829.db2.gz KBKGPWRAKJNUFH-HHHXNRCGSA-N 0 0 581.558 6.801 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053362871 554345552 /nfs/dbraw/zinc/34/55/52/554345552.db2.gz FIVXQSCFMBHISA-JTHBVZDNSA-N 0 0 500.234 6.448 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363743 554346099 /nfs/dbraw/zinc/34/60/99/554346099.db2.gz JBQSVYGTPABCEM-WMZHIEFXSA-N 0 0 520.210 6.413 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364055 554346493 /nfs/dbraw/zinc/34/64/93/554346493.db2.gz FEAXVVLFEZZYBU-HOFKKMOUSA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364197 554346631 /nfs/dbraw/zinc/34/66/31/554346631.db2.gz ZTLNSIYGXLWTGL-NVQXNPDNSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000053364228 554346710 /nfs/dbraw/zinc/34/67/10/554346710.db2.gz KABVVKWIZYDSGX-HOFKKMOUSA-N 0 0 525.443 6.183 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000053364514 554346949 /nfs/dbraw/zinc/34/69/49/554346949.db2.gz ILURMRDPEDIQAK-RBBKRZOGSA-N 0 0 583.093 7.041 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364355 554347002 /nfs/dbraw/zinc/34/70/02/554347002.db2.gz XBTOEHPNJCAMMY-ISKFKSNPSA-N 0 0 532.251 6.841 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364316 554347014 /nfs/dbraw/zinc/34/70/14/554347014.db2.gz ASERXXSQARFFFL-RDGATRHJSA-N 0 0 560.286 6.547 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053364526 554347250 /nfs/dbraw/zinc/34/72/50/554347250.db2.gz NRGHEBWZFTYVKU-IFMALSPDSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3cc(Br)ccc3F)N2)c1O ZINC000053364758 554347285 /nfs/dbraw/zinc/34/72/85/554347285.db2.gz OMDBOONOQAZYJE-URXFXBBRSA-N 0 0 548.250 6.678 50 10 KKCARN COc1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Br)ccc3O)N2)cc1Br ZINC000053364774 554347357 /nfs/dbraw/zinc/34/73/57/554347357.db2.gz KBKYQNCKFHWGJE-ZJSXRUAMSA-N 0 0 530.260 6.457 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364760 554347376 /nfs/dbraw/zinc/34/73/76/554347376.db2.gz YEXOXMYBKKNEMF-RCZVLFRGSA-N 0 0 544.287 6.711 50 10 KKCARN COc1cccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364974 554347666 /nfs/dbraw/zinc/34/76/66/554347666.db2.gz ZAPDWRHVIOUGAZ-URXFXBBRSA-N 0 0 546.259 6.157 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1Cl ZINC000100364133 554349125 /nfs/dbraw/zinc/34/91/25/554349125.db2.gz FHCAMGSKXWNNAX-WYMPLXKRSA-N 0 0 526.035 6.452 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000058582981 554364578 /nfs/dbraw/zinc/36/45/78/554364578.db2.gz MHRTUQSKWZJHQM-UPRLRBBYSA-N 0 0 584.510 6.896 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000100415059 554380555 /nfs/dbraw/zinc/38/05/55/554380555.db2.gz WNLOAQILYOVIBN-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Cl)cc1Cl)OC21C(=O)c2ccccc2C1=O ZINC000100415628 554381776 /nfs/dbraw/zinc/38/17/76/554381776.db2.gz WTVXAUUZHDFMAO-FDFHNCONSA-N 0 0 540.786 5.650 50 10 KKCARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100425340 554386432 /nfs/dbraw/zinc/38/64/32/554386432.db2.gz SHVQVTXCVUTPDW-NYFMKLKXSA-N 0 0 513.641 7.617 50 10 KKCARN CCCCN1C(=O)/C(=c2/s/c(=C\C=C3/SC(c4ccccc4)=C(c4ccccc4)N3CC)c(=O)n2CCCC)SC1=S ZINC000100498755 554404932 /nfs/dbraw/zinc/40/49/32/554404932.db2.gz SHLCZGPYHQQWTI-ZQYWIHSOSA-N 0 0 633.930 6.695 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000100512874 554408687 /nfs/dbraw/zinc/40/86/87/554408687.db2.gz XPDYQYITSBHZRM-NJYVYQBISA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100512869 554408691 /nfs/dbraw/zinc/40/86/91/554408691.db2.gz XPDYQYITSBHZRM-ACRUOGEOSA-N 0 0 571.210 5.451 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100533566 554411109 /nfs/dbraw/zinc/41/11/09/554411109.db2.gz UOHRREZLYBMQIL-HVDVVURSSA-N 0 0 632.182 5.495 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100533572 554411148 /nfs/dbraw/zinc/41/11/48/554411148.db2.gz UOHRREZLYBMQIL-WOSHRIRTSA-N 0 0 632.182 5.495 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 ZINC000100540946 554413185 /nfs/dbraw/zinc/41/31/85/554413185.db2.gz FEEXQAXFDUWABQ-YBEGLDIGSA-N 0 0 610.056 6.948 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)sc2c1CCCC2 ZINC000100542178 554413428 /nfs/dbraw/zinc/41/34/28/554413428.db2.gz UWFUAXMQVFDUDV-RGEXLXHISA-N 0 0 530.693 5.042 50 10 KKCARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000059646047 554417139 /nfs/dbraw/zinc/41/71/39/554417139.db2.gz PCPKKVMWYBGMHW-FUMQJTLXSA-N 0 0 529.887 7.038 50 10 KKCARN Cc1c(Cl)cccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100582319 554425392 /nfs/dbraw/zinc/42/53/92/554425392.db2.gz FJJFMPFEPYQPEJ-FKBYEOEOSA-N 0 0 550.792 5.106 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OCC)ccc3N(C(=O)CC)C(C)(C)C2=S)S1 ZINC000059829343 554432396 /nfs/dbraw/zinc/43/23/96/554432396.db2.gz HAFBQZAADKKLSJ-UHFFFAOYSA-N 0 0 535.709 5.477 50 10 KKCARN O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)c1ccccc1I ZINC000059833826 554432749 /nfs/dbraw/zinc/43/27/49/554432749.db2.gz KCGFXTWHNIEDNY-UDWIEESQSA-N 0 0 611.404 6.935 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100618098 554433348 /nfs/dbraw/zinc/43/33/48/554433348.db2.gz QERQDQSZZACRCB-DDIUQFJASA-N 0 0 611.167 5.521 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccc([C@H](C)CC)cc1 ZINC000100642136 554435987 /nfs/dbraw/zinc/43/59/87/554435987.db2.gz JJBPOSKHGLIUNW-PZEUBJQTSA-N 0 0 599.551 6.848 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc([C@@H](C)CC)cc4)c(OC)c3)C2=N)S1 ZINC000100642127 554436070 /nfs/dbraw/zinc/43/60/70/554436070.db2.gz QBUXSCRSQWLXAQ-AMBHUUBPSA-N 0 0 541.073 6.349 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOCCOc3ccc(C)cc3)C2=N)S1 ZINC000100642283 554436276 /nfs/dbraw/zinc/43/62/76/554436276.db2.gz MDERFWPGNLWLPC-VVHVNJFJSA-N 0 0 557.470 5.261 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100648017 554436554 /nfs/dbraw/zinc/43/65/54/554436554.db2.gz BRLLQEHFIOSUPO-DDIUQFJASA-N 0 0 594.712 5.006 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccccc4OC)c(OCC)c3)C2=N)S1 ZINC000100656756 554437970 /nfs/dbraw/zinc/43/79/70/554437970.db2.gz VUDJTSVDDYAAGN-WQSRDYMISA-N 0 0 587.496 5.733 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000100666732 554440202 /nfs/dbraw/zinc/44/02/02/554440202.db2.gz ZTKDQDGWZCOOSD-BVXHZEBHSA-N 0 0 562.570 5.050 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100666681 554440218 /nfs/dbraw/zinc/44/02/18/554440218.db2.gz JDMOUBPQMOMMLV-BZRMMWEVSA-N 0 0 546.571 5.848 50 10 KKCARN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)c1 ZINC000100666645 554440227 /nfs/dbraw/zinc/44/02/27/554440227.db2.gz DRAWLDUTCIHEDP-YQLNMOIQSA-N 0 0 539.583 6.334 50 10 KKCARN CCCCCCOc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100666784 554440230 /nfs/dbraw/zinc/44/02/30/554440230.db2.gz LLDYIRKCNHNDJA-FGGGHNBDSA-N 0 0 590.624 6.294 50 10 KKCARN CCCCCCOc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OCC)cc1 ZINC000100666788 554440461 /nfs/dbraw/zinc/44/04/61/554440461.db2.gz AYCLZVIDVKXSAS-NVDPUYEKSA-N 0 0 604.651 6.684 50 10 KKCARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc2C3=O)cc(OC)c1OC ZINC000100690257 554449904 /nfs/dbraw/zinc/44/99/04/554449904.db2.gz JIBOMNMMNQJHTC-UHFFFAOYSA-N 0 0 626.618 5.018 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000100711634 554453903 /nfs/dbraw/zinc/45/39/03/554453903.db2.gz IULTZRUDWAZYRD-DEGVDWGGSA-N 0 0 541.073 6.170 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 ZINC000100711533 554453918 /nfs/dbraw/zinc/45/39/18/554453918.db2.gz NEZZJSWANBCUDV-ADZLKVMLSA-N 0 0 529.018 5.234 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000100711681 554454108 /nfs/dbraw/zinc/45/41/08/554454108.db2.gz WVCQFAUYBKTGQR-JWRAQDAWSA-N 0 0 543.443 5.171 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)SC2=S)cc1 ZINC000059873684 554456572 /nfs/dbraw/zinc/45/65/72/554456572.db2.gz RFDALPUPDXEILQ-MXAYSNPKSA-N 0 0 535.687 6.231 50 10 KKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000100727472 554457730 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/nfs/dbraw/zinc/48/31/85/554483185.db2.gz CSMUNXZOMAJSNU-DIBXZPPDSA-N 0 0 541.567 6.291 50 10 KKCARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000100837073 554484047 /nfs/dbraw/zinc/48/40/47/554484047.db2.gz QBHKYNMFJUGCDN-USHMODERSA-N 0 0 539.726 7.018 50 10 KKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837891 554484609 /nfs/dbraw/zinc/48/46/09/554484609.db2.gz HCRJRTALMXSQAE-ONUIUJJFSA-N 0 0 546.117 7.383 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838499 554485926 /nfs/dbraw/zinc/48/59/26/554485926.db2.gz ADIYEWSCSXBSJO-XYLWXZHPSA-N 0 0 608.188 8.734 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838514 554486164 /nfs/dbraw/zinc/48/61/64/554486164.db2.gz VATSYIPQVKVCRV-NVYRNGPJSA-N 0 0 616.252 9.189 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000100838776 554486757 /nfs/dbraw/zinc/48/67/57/554486757.db2.gz NGRCACPJXGRATD-ITYLOYPMSA-N 0 0 527.671 5.966 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c1 ZINC000100839779 554488006 /nfs/dbraw/zinc/48/80/06/554488006.db2.gz WICYMBPICFPACJ-COEJQBHMSA-N 0 0 599.778 7.098 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100863367 554496137 /nfs/dbraw/zinc/49/61/37/554496137.db2.gz YNNGWNANQAMWMM-HLILLCKBSA-N 0 0 532.735 5.462 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1[N+](=O)[O-] ZINC000100871526 554499629 /nfs/dbraw/zinc/49/96/29/554499629.db2.gz OTAODRFRYNXKES-IMRQLAEWSA-N 0 0 586.695 6.299 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000100871691 554499962 /nfs/dbraw/zinc/49/99/62/554499962.db2.gz KFWCFAMMSZLFPE-DDJBQFQUSA-N 0 0 535.735 6.077 50 10 KKCARN Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000100872651 554501768 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/nfs/dbraw/zinc/52/91/18/554529118.db2.gz DHRDFRVSYLIVHB-DHVTZTJESA-N 0 0 538.416 5.643 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101004830 554553575 /nfs/dbraw/zinc/55/35/75/554553575.db2.gz WKKBAUGKYZBAMI-WEWMWRJBSA-N 0 0 522.601 5.241 50 10 KKCARN CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000101012022 554558317 /nfs/dbraw/zinc/55/83/17/554558317.db2.gz SGMFGMXDUAUFIN-XHPQRKPJSA-N 0 0 533.788 7.965 50 10 KKCARN COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000101032436 554565165 /nfs/dbraw/zinc/56/51/65/554565165.db2.gz LOUHITLIVZHVOT-RRAHZORUSA-N 0 0 535.673 5.336 50 10 KKCARN Cc1cc(C)cc(OCCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000101035500 554565500 /nfs/dbraw/zinc/56/55/00/554565500.db2.gz OCVMVLRLGPQCMI-KWAFVZIISA-N 0 0 534.645 5.790 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101057030 554569781 /nfs/dbraw/zinc/56/97/81/554569781.db2.gz ABTGBFHANZWLTJ-IHDPQJNZSA-N 0 0 524.005 6.135 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc4cccnc4c3N12 ZINC000101057537 554569814 /nfs/dbraw/zinc/56/98/14/554569814.db2.gz HBMLFLIJRSOKKO-FEVNIDIWSA-N 0 0 522.560 6.144 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101071310 554575454 /nfs/dbraw/zinc/57/54/54/554575454.db2.gz UWEKVGBUKWHFLA-ULNSLHSMSA-N 0 0 560.447 6.765 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c(C)c1 ZINC000101086007 554580739 /nfs/dbraw/zinc/58/07/39/554580739.db2.gz XTNDSHZCXIQLME-VJAHKBQOSA-N 0 0 534.645 5.790 50 10 KKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101090526 554581937 /nfs/dbraw/zinc/58/19/37/554581937.db2.gz PGCTXPYUDMWYTR-UDWIEESQSA-N 0 0 530.505 6.239 50 10 KKCARN Cc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000101094909 554584193 /nfs/dbraw/zinc/58/41/93/554584193.db2.gz IWLYVHYORDPPLC-KEBDBYFISA-N 0 0 526.527 7.538 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000101128045 554646263 /nfs/dbraw/zinc/64/62/63/554646263.db2.gz IBLGSDYNDYJJTB-SPXZMIHUSA-N 0 0 580.779 6.424 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3CCN(c4cccc(Cl)c4)CC3)SC2=S)cc1 ZINC000101128886 554647435 /nfs/dbraw/zinc/64/74/35/554647435.db2.gz BAMWDFLMMPOBJY-NLRVBDNBSA-N 0 0 602.185 5.693 50 10 KKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000101129425 554648339 /nfs/dbraw/zinc/64/83/39/554648339.db2.gz OLKPQXWRQSRZOH-HZHRSRAPSA-N 0 0 531.062 6.047 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000101129431 554648344 /nfs/dbraw/zinc/64/83/44/554648344.db2.gz AOVNXQWQNCNTTG-LFVJCYFKSA-N 0 0 561.088 6.138 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1C1CCCCC1 ZINC000101129697 554648606 /nfs/dbraw/zinc/64/86/06/554648606.db2.gz YLYBNEAUNQBYBM-PXLXIMEGSA-N 0 0 524.509 6.836 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000101130015 554649128 /nfs/dbraw/zinc/64/91/28/554649128.db2.gz YAJFIUJHGHBERG-VFCFBJKWSA-N 0 0 539.726 7.080 50 10 KKCARN CCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000101130647 554649837 /nfs/dbraw/zinc/64/98/37/554649837.db2.gz LJCPVYAGHUOAOY-HKOYGPOVSA-N 0 0 532.735 5.463 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101140587 554653134 /nfs/dbraw/zinc/65/31/34/554653134.db2.gz UZMDMILSROMWCO-OIFRRMEBSA-N 0 0 529.567 6.151 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101142697 554654503 /nfs/dbraw/zinc/65/45/03/554654503.db2.gz ZHLMLDWNAFNFSN-PWRODBHTSA-N 0 0 526.759 5.342 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000101175027 554663026 /nfs/dbraw/zinc/66/30/26/554663026.db2.gz ZVDYOLHQMDZXQR-OUEXIOHGSA-N 0 0 529.453 5.033 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101176992 554664942 /nfs/dbraw/zinc/66/49/42/554664942.db2.gz YWMRJEJVZJAGEJ-DYIKCSJPSA-N 0 0 529.567 6.151 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101179219 554665764 /nfs/dbraw/zinc/66/57/64/554665764.db2.gz YGLNXZMVXQGCFV-GMQQYTKMSA-N 0 0 540.015 6.857 50 10 KKCARN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000101179819 554666172 /nfs/dbraw/zinc/66/61/72/554666172.db2.gz JRVJUCZZXUJFAC-IRVURWCKSA-N 0 0 548.672 6.296 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000101181357 554667132 /nfs/dbraw/zinc/66/71/32/554667132.db2.gz QGSJULWCRBDURP-OIFRRMEBSA-N 0 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/nfs/dbraw/zinc/67/15/15/554671515.db2.gz KHQDMADGRDSMNN-DYIKCSJPSA-N 0 0 530.023 6.965 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000101193911 554671591 /nfs/dbraw/zinc/67/15/91/554671591.db2.gz WJOSOHSIRFIVRB-YTCPBCGMSA-N 0 0 531.633 6.463 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101194714 554672043 /nfs/dbraw/zinc/67/20/43/554672043.db2.gz FHBAEALQCACLBO-HBSQWALNSA-N 0 0 531.428 6.059 50 10 KKCARN COc1ccccc1N1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000101216877 554684534 /nfs/dbraw/zinc/68/45/34/554684534.db2.gz IVIVEFBIQMLDIB-UHFFFAOYSA-N 0 0 560.610 5.889 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000101217039 554684550 /nfs/dbraw/zinc/68/45/50/554684550.db2.gz JEBRXEOELKQQQU-QAUTUDTGSA-N 0 0 529.453 5.033 50 10 KKCARN CCOc1ccc(Nc2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000101217578 554684805 /nfs/dbraw/zinc/68/48/05/554684805.db2.gz OPNNMJRSTLVKFY-UHFFFAOYSA-N 0 0 574.637 6.232 50 10 KKCARN COc1cc(Nc2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC ZINC000101217581 554684810 /nfs/dbraw/zinc/68/48/10/554684810.db2.gz PXFWYPVKBKORBT-UHFFFAOYSA-N 0 0 620.662 5.860 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCN(c2ccc(F)cc2)CC1 ZINC000101217501 554684845 /nfs/dbraw/zinc/68/48/45/554684845.db2.gz WLEHTIZOEFWKBJ-UHFFFAOYSA-N 0 0 534.547 5.977 50 10 KKCARN CCOC(=O)c1cccc(Nc2cc(N3CCN(Cc4cc(Cl)ccc4OC)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000101217850 554685087 /nfs/dbraw/zinc/68/50/87/554685087.db2.gz MXDSBSHFXQOYDE-UHFFFAOYSA-N 0 0 623.109 6.944 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101227604 554688985 /nfs/dbraw/zinc/68/89/85/554688985.db2.gz QKMLZRRUSQKQLB-QHAWAJNXSA-N 0 0 525.866 5.054 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101229689 554689163 /nfs/dbraw/zinc/68/91/63/554689163.db2.gz XFKQAZQMKHVCCR-OZNIXHKMSA-N 0 0 539.603 5.892 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000101228237 554689200 /nfs/dbraw/zinc/68/92/00/554689200.db2.gz PBHOMDAKEJTNMY-MJSOWUPRSA-N 0 0 544.050 7.273 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000101231274 554689428 /nfs/dbraw/zinc/68/94/28/554689428.db2.gz WQDBDLDMGJAXIM-YSMPRRRNSA-N 0 0 541.654 6.068 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101234539 554690014 /nfs/dbraw/zinc/69/00/14/554690014.db2.gz JPBKODLTWNNMOK-DYIKCSJPSA-N 0 0 548.013 7.104 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101255678 554696693 /nfs/dbraw/zinc/69/66/93/554696693.db2.gz UHSKSJRKNDOUOL-DYIKCSJPSA-N 0 0 530.023 6.965 50 10 KKCARN CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc4cccnc4c3N12 ZINC000101261648 554697446 /nfs/dbraw/zinc/69/74/46/554697446.db2.gz JUFOHBDBWBHUKP-KLJDGLGGSA-N 0 0 549.424 6.020 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000101279043 554705318 /nfs/dbraw/zinc/70/53/18/554705318.db2.gz RRJBAEHKTHFBLA-OIFRRMEBSA-N 0 0 548.013 7.104 50 10 KKCARN O=C(c1ccccc1Cl)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000101290517 554707792 /nfs/dbraw/zinc/70/77/92/554707792.db2.gz HUYDVBWGAUHZOX-SSBOKUKZSA-N 0 0 550.441 7.310 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101303542 554713986 /nfs/dbraw/zinc/71/39/86/554713986.db2.gz YWYBBEOEKILCKH-YTCPBCGMSA-N 0 0 550.441 7.310 50 10 KKCARN CC(C)c1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101309540 554716776 /nfs/dbraw/zinc/71/67/76/554716776.db2.gz GVEUBAZAOQNMBP-OWHBQTKESA-N 0 0 541.622 7.265 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1OC ZINC000101331003 554731705 /nfs/dbraw/zinc/73/17/05/554731705.db2.gz UASFJMYIJBCFRQ-ONUIUJJFSA-N 0 0 572.668 5.909 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000101333858 554733878 /nfs/dbraw/zinc/73/38/78/554733878.db2.gz UMBUHGBFTMKYOE-VEILYXNESA-N 0 0 622.106 7.688 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101343197 554736142 /nfs/dbraw/zinc/73/61/42/554736142.db2.gz IJXTZNLAHLMAFM-IDZRBWSNSA-N 0 0 546.022 6.665 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101342851 554736180 /nfs/dbraw/zinc/73/61/80/554736180.db2.gz HBRVUEJATAXEFU-ULNSLHSMSA-N 0 0 533.986 6.795 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000101343899 554736310 /nfs/dbraw/zinc/73/63/10/554736310.db2.gz YGYRFLASACWORU-NGDRWEMDSA-N 0 0 548.013 7.104 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101344052 554736679 /nfs/dbraw/zinc/73/66/79/554736679.db2.gz OSJQKAJNMNUQNF-ULNSLHSMSA-N 0 0 533.986 6.795 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCC4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356253 554740024 /nfs/dbraw/zinc/74/00/24/554740024.db2.gz ZOJQQSPDVZQJSU-HSZRJFAPSA-N 0 0 562.736 5.190 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356873 554740489 /nfs/dbraw/zinc/74/04/89/554740489.db2.gz WYSIGVYHRQBKQY-JOCHJYFZSA-N 0 0 550.725 5.046 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)Cc4ccccc4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000101356865 554740506 /nfs/dbraw/zinc/74/05/06/554740506.db2.gz BMOXXFJTFRDIGO-RUZDIDTESA-N 0 0 584.742 5.243 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000101374703 554746059 /nfs/dbraw/zinc/74/60/59/554746059.db2.gz VIGYEZGTKGHSMM-HNTIFMKSSA-N 0 0 550.467 7.275 50 10 KKCARN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\c4cc(S(=O)(=O)N5CCOCC5)ccc4N(CC)C3=O)c1C)CCCC2 ZINC000101377522 554746890 /nfs/dbraw/zinc/74/68/90/554746890.db2.gz KXVHIFXUFBOKCL-NLRVBDNBSA-N 0 0 623.797 5.139 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000101384317 554748960 /nfs/dbraw/zinc/74/89/60/554748960.db2.gz TYJLORYUTFELOJ-JWABDOFGSA-N 0 0 558.082 6.817 50 10 KKCARN CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(Br)cc2)C1=O ZINC000101390188 554754138 /nfs/dbraw/zinc/75/41/38/554754138.db2.gz OGFPFLAZCGEVEJ-JWGURIENSA-N 0 0 574.456 5.855 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(c5ccc(OC)cc5)C[C@@H]43)C2=O)cc1 ZINC000101391652 554755231 /nfs/dbraw/zinc/75/52/31/554755231.db2.gz 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6.028 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Br)cc1 ZINC000226936637 572146287 /nfs/dbraw/zinc/14/62/87/572146287.db2.gz ZIVIMSHYROSRCF-XLGIIRLISA-N 0 0 533.378 6.224 50 10 KKCARN CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226979335 572146540 /nfs/dbraw/zinc/14/65/40/572146540.db2.gz GBKKQPUIFLMQLF-DVHCVUMVSA-N 0 0 522.428 7.606 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000227028477 572148313 /nfs/dbraw/zinc/14/83/13/572148313.db2.gz DGKBCLJAEKGKGG-DTXPUJKBSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227070266 572148819 /nfs/dbraw/zinc/14/88/19/572148819.db2.gz BKHGNHVFYZYKDP-DTXPUJKBSA-N 0 0 598.457 7.457 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000227070274 572148915 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/nfs/dbraw/zinc/36/06/11/553360611.db2.gz HXEMWASJMNQBTO-UHFFFAOYSA-N 0 0 500.516 5.610 50 10 KKCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000012445293 553366610 /nfs/dbraw/zinc/36/66/10/553366610.db2.gz JYXPHYIPIXHZKV-QJOMJCCJSA-N 0 0 512.572 6.676 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000012447761 553366800 /nfs/dbraw/zinc/36/68/00/553366800.db2.gz HMTBNJNBWGIYML-RPCRKUJJSA-N 0 0 504.594 5.740 50 10 KKCARN Cc1ccc(Sc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012461901 553366999 /nfs/dbraw/zinc/36/69/99/553366999.db2.gz HINLEXVGVXWBQL-UHFFFAOYSA-N 0 0 501.966 6.966 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012540524 553388899 /nfs/dbraw/zinc/38/88/99/553388899.db2.gz UMCPMFJLUCEFST-UHFFFAOYSA-N 0 0 506.524 6.580 50 10 KKCARN CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N(c4ccccc4)N=C3C)ccc21 ZINC000012558344 553393709 /nfs/dbraw/zinc/39/37/09/553393709.db2.gz IVORPCWSBBELRY-XHLNEMQHSA-N 0 0 521.624 7.473 50 10 KKCARN CCCn1c(=O)c2ccccc2nc1SCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000012565108 553396428 /nfs/dbraw/zinc/39/64/28/553396428.db2.gz HVKKZZKFGFTTLL-UHFFFAOYSA-N 0 0 500.451 6.496 50 10 KKCARN Cc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=S)N2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012565251 553396449 /nfs/dbraw/zinc/39/64/49/553396449.db2.gz PFBBNPNPRZIVDX-SRZZPIQSSA-N 0 0 513.541 5.442 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c1 ZINC000012615069 553402611 /nfs/dbraw/zinc/40/26/11/553402611.db2.gz OUABCXWEFFMTFK-UQQQWYQISA-N 0 0 503.693 6.780 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)c2C)cc1 ZINC000012634593 553406295 /nfs/dbraw/zinc/40/62/95/553406295.db2.gz OZHIXSIPQMLPOW-GOSISDBHSA-N 0 0 505.571 5.287 50 10 KKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)n2n1 ZINC000012955335 553429517 /nfs/dbraw/zinc/42/95/17/553429517.db2.gz GNZWHVUSFQURJK-UHFFFAOYSA-N 0 0 505.430 8.099 50 10 KKCARN O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000013514376 553468259 /nfs/dbraw/zinc/46/82/59/553468259.db2.gz XISNPTZRKCCEDL-UCQKPKSFSA-N 0 0 504.036 6.261 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000013647202 553480001 /nfs/dbraw/zinc/48/00/01/553480001.db2.gz XHHXFJDYVKSIAZ-XZYUFJJDSA-N 0 0 526.772 5.903 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013712427 553486053 /nfs/dbraw/zinc/48/60/53/553486053.db2.gz KMDBOZWICGJUEX-BWAHOGKJSA-N 0 0 519.761 7.575 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000013713763 553486299 /nfs/dbraw/zinc/48/62/99/553486299.db2.gz ZDBPFCMTMVSDJM-ZKFYFQMZSA-N 0 0 521.733 6.422 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000013750372 553487689 /nfs/dbraw/zinc/48/76/89/553487689.db2.gz QXXRVXBBFBUDGT-WXNAFCGMSA-N 0 0 506.697 5.592 50 10 KKCARN O=C1/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)SC(=S)N1Cc1ccco1 ZINC000013774769 553489822 /nfs/dbraw/zinc/48/98/22/553489822.db2.gz NFKSMBMXBBRQMH-VEWOPZLGSA-N 0 0 521.667 7.037 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000013785516 553490435 /nfs/dbraw/zinc/49/04/35/553490435.db2.gz NUCRRRXULVVKOR-UQQQWYQISA-N 0 0 521.708 6.120 50 10 KKCARN C[C@@H](COc1ccccc1)Cn1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21 ZINC000013785866 553490632 /nfs/dbraw/zinc/49/06/32/553490632.db2.gz UERQTAOCYLEEQJ-MRJPJEFVSA-N 0 0 518.642 6.661 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013799573 553491032 /nfs/dbraw/zinc/49/10/32/553491032.db2.gz PZPXZTPIDQPCPV-NQDAVXOOSA-N 0 0 501.995 6.232 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cccc(C)c4)c(OCC)c3)C2=N)S1 ZINC000013799410 553491041 /nfs/dbraw/zinc/49/10/41/553491041.db2.gz GHQICMOKMJXIPO-RRABYFSWSA-N 0 0 527.046 5.924 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013799032 553491042 /nfs/dbraw/zinc/49/10/42/553491042.db2.gz ZSQZLCLFRJRALB-GMBXZBGESA-N 0 0 530.694 6.044 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000013807236 553492025 /nfs/dbraw/zinc/49/20/25/553492025.db2.gz NARSWSDDIOQKLN-OSEFQUDUSA-N 0 0 523.749 6.572 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000013810240 553492146 /nfs/dbraw/zinc/49/21/46/553492146.db2.gz MAMGJRYLIJWTHO-SMIDNAKXSA-N 0 0 511.603 5.766 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000013810316 553492376 /nfs/dbraw/zinc/49/23/76/553492376.db2.gz AUIGUIZULHMKDL-WRLNMTLESA-N 0 0 525.630 6.156 50 10 KKCARN CCc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013940281 553496185 /nfs/dbraw/zinc/49/61/85/553496185.db2.gz ZGEVCOBFJPAYDN-BWAHOGKJSA-N 0 0 510.080 7.156 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOc1c(C)cccc1C ZINC000013940192 553496201 /nfs/dbraw/zinc/49/62/01/553496201.db2.gz XRCPIDCBULJEIR-JJIBRWJFSA-N 0 0 505.412 6.330 50 10 KKCARN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013940440 553496300 /nfs/dbraw/zinc/49/63/00/553496300.db2.gz JOTZNXXRTVVPAA-STZFKDTASA-N 0 0 502.038 5.822 50 10 KKCARN CC(C)(C)c1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000013942965 553496905 /nfs/dbraw/zinc/49/69/05/553496905.db2.gz CNUYIMFKDWEZDY-JWGURIENSA-N 0 0 518.107 7.826 50 10 KKCARN COc1cccc(OCCOc2ccc(Br)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 ZINC000013943228 553496908 /nfs/dbraw/zinc/49/69/08/553496908.db2.gz RSMTWBPTJNSANT-JLPGSUDCSA-N 0 0 507.384 5.722 50 10 KKCARN CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000013944012 553497343 /nfs/dbraw/zinc/49/73/43/553497343.db2.gz GRMGJGLGCUHQTQ-RMTSEHLMSA-N 0 0 517.716 7.449 50 10 KKCARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000014166022 553505750 /nfs/dbraw/zinc/50/57/50/553505750.db2.gz SRPMLMZFQDDCRG-BVFVYWQFSA-N 0 0 509.469 6.693 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000014360172 553513809 /nfs/dbraw/zinc/51/38/09/553513809.db2.gz HLWOOXQGFOENMZ-UHFFFAOYSA-N 0 0 513.497 5.244 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015011850 553525424 /nfs/dbraw/zinc/52/54/24/553525424.db2.gz JYHISVYVNUAGIJ-LPYMAVHISA-N 0 0 512.996 6.242 50 10 KKCARN CCN1CCc2c(sc3c2C(=O)N[C@@H](C2=CC(=NNc4cccc(Br)c4)C=CC2=O)N3)C1 ZINC000015947248 553545129 /nfs/dbraw/zinc/54/51/29/553545129.db2.gz NUPOLUOZQWZYTR-ILOQVAKNSA-N 0 0 512.433 6.439 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016000277 553549604 /nfs/dbraw/zinc/54/96/04/553549604.db2.gz NPVRFCUFIHFQKY-QKDODKLFSA-N 0 0 505.570 6.204 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000015999308 553549632 /nfs/dbraw/zinc/54/96/32/553549632.db2.gz VCDWHGPNNYMFCP-OIFRRMEBSA-N 0 0 513.568 6.450 50 10 KKCARN CC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000015999282 553549644 /nfs/dbraw/zinc/54/96/44/553549644.db2.gz VYNFQXLDWBYRKE-KKUQBAQOSA-N 0 0 501.504 6.036 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016000639 553549925 /nfs/dbraw/zinc/54/99/25/553549925.db2.gz DSUFCFZDZDHSSB-RWSKJCERSA-N 0 0 525.604 6.320 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3c(cccc3OC(C)=O)C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016000745 553549930 /nfs/dbraw/zinc/54/99/30/553549930.db2.gz KKYUTANGNDARIO-IARZGTGTSA-N 0 0 521.569 5.033 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000016038701 553552774 /nfs/dbraw/zinc/55/27/74/553552774.db2.gz MJHHYGSAXPTSMW-TWLDFKIOSA-N 0 0 512.565 5.500 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2c2ccccc2)cc(OC)c1O ZINC000016195058 553556423 /nfs/dbraw/zinc/55/64/23/553556423.db2.gz RRTFIPRSMILXKB-PXNMLYILSA-N 0 0 503.769 6.204 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214688 553556823 /nfs/dbraw/zinc/55/68/23/553556823.db2.gz VMHIBTLGCGFFRN-UUYOSTAYSA-N 0 0 502.444 6.987 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000016700037 553574117 /nfs/dbraw/zinc/57/41/17/553574117.db2.gz NADSJURPXRNIGB-JCMHNJIXSA-N 0 0 519.673 6.162 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000016729686 553575999 /nfs/dbraw/zinc/57/59/99/553575999.db2.gz SMYILVWTQXAINB-KQWNVCNZSA-N 0 0 509.653 5.184 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)C2=O)cc1C ZINC000016730690 553576692 /nfs/dbraw/zinc/57/66/92/553576692.db2.gz YUSQAUQECDPYBS-IZHYLOQSSA-N 0 0 513.644 5.060 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000016730848 553576864 /nfs/dbraw/zinc/57/68/64/553576864.db2.gz MHJDXJMPHPLCAO-LYEHZDMLSA-N 0 0 521.708 5.768 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000016731830 553577274 /nfs/dbraw/zinc/57/72/74/553577274.db2.gz SJMZIIYCCDIBIO-IJYGLTAASA-N 0 0 509.491 5.126 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 ZINC000016731931 553577284 /nfs/dbraw/zinc/57/72/84/553577284.db2.gz FCNXUVMGQBTRBM-MRCUWXFGSA-N 0 0 515.498 6.066 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000016732639 553577732 /nfs/dbraw/zinc/57/77/32/553577732.db2.gz GVZUBRGEOMNFFL-KQWNVCNZSA-N 0 0 512.100 6.983 50 10 KKCARN CN(C)c1ccc(C(OC(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000016887370 553583608 /nfs/dbraw/zinc/58/36/08/553583608.db2.gz JLPYHQCTDWGUAS-UHFFFAOYSA-N 0 0 522.737 6.846 50 10 KKCARN COc1cc(/C=C2/C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)ccc1OC(=O)c1cccs1 ZINC000017150109 553589344 /nfs/dbraw/zinc/58/93/44/553589344.db2.gz SGITXOLVINGTHU-STZFKDTASA-N 0 0 504.564 5.347 50 10 KKCARN COc1cccc([C@@H]2C[C@H](c3cc(Br)ccc3O)N[C@@H](c3ccc(Br)cc3)N2)c1 ZINC000020133050 553592228 /nfs/dbraw/zinc/59/22/28/553592228.db2.gz XHGVQCPNPRRARP-XJUOHMSHSA-N 0 0 518.249 5.990 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000017752350 553599575 /nfs/dbraw/zinc/59/95/75/553599575.db2.gz LVDRHBHYPYSKBQ-DYXWJJEUSA-N 0 0 571.210 5.451 50 10 KKCARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070672880 553603111 /nfs/dbraw/zinc/60/31/11/553603111.db2.gz FJARQOYNHUUOHL-YIPGRGJBSA-N 0 0 543.417 5.020 50 10 biogenic KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000070673548 553603668 /nfs/dbraw/zinc/60/36/68/553603668.db2.gz SCBSFTYSDNKEMO-RWSKJCERSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000070673598 553603743 /nfs/dbraw/zinc/60/37/43/553603743.db2.gz HHNBFKIYMQNQFW-OIFRRMEBSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000070681075 553604865 /nfs/dbraw/zinc/60/48/65/553604865.db2.gz BQTIQHYWWSOKNY-RWSKJCERSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN COc1cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000070687157 553606143 /nfs/dbraw/zinc/60/61/43/553606143.db2.gz SOQYNSVNFCZZBP-YKILCQELSA-N 0 0 585.656 6.337 50 10 biogenic KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000070687546 553606989 /nfs/dbraw/zinc/60/69/89/553606989.db2.gz GUBVDEQSHXPMDE-MJSOWUPRSA-N 0 0 525.604 6.320 50 10 biogenic KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2cccc(OC)c2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000070687929 553607824 /nfs/dbraw/zinc/60/78/24/553607824.db2.gz NSRMBQRBEXGSCF-OWHBQTKESA-N 0 0 555.630 6.410 50 10 biogenic KKCARN COc1cccc([C@@H]2C[C@H](c3cc(Br)ccc3O)N[C@H](c3ccc(Br)cc3)N2)c1 ZINC000019330652 553613843 /nfs/dbraw/zinc/61/38/43/553613843.db2.gz XHGVQCPNPRRARP-QZNHQXDQSA-N 0 0 518.249 5.990 50 10 KKCARN O=C1/C(=C/c2ccc(Sc3cccc4ccccc43)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000020238619 553624382 /nfs/dbraw/zinc/62/43/82/553624382.db2.gz FXPIQNJYTIPDHN-STZFKDTASA-N 0 0 513.587 8.009 50 10 KKCARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000020294645 553635582 /nfs/dbraw/zinc/63/55/82/553635582.db2.gz LBNGKWHILJUGKJ-UHFFFAOYSA-N 0 0 522.432 6.498 50 10 KKCARN CCOC(=O)c1c(COc2ccc(F)cc2Cl)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393700 553679642 /nfs/dbraw/zinc/67/96/42/553679642.db2.gz NVTVSMORDVWBIC-UHFFFAOYSA-N 0 0 511.981 5.556 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCOCC)C(=S)Nc3ccc(C(=O)OCC)cc3)ccc21 ZINC000020732036 553692198 /nfs/dbraw/zinc/69/21/98/553692198.db2.gz ZACJIUIMZFLGSD-UHFFFAOYSA-N 0 0 511.732 6.042 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000020763980 553696355 /nfs/dbraw/zinc/69/63/55/553696355.db2.gz XYNLEGAGJDARFC-IFMALSPDSA-N 0 0 510.646 7.337 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764317 553696419 /nfs/dbraw/zinc/69/64/19/553696419.db2.gz CAGOLZBEVXBJJN-BVAGGSTKSA-N 0 0 513.407 6.314 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000020764208 553696434 /nfs/dbraw/zinc/69/64/34/553696434.db2.gz ZVNKGXAHYQYQPI-URXFXBBRSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000020764204 553696439 /nfs/dbraw/zinc/69/64/39/553696439.db2.gz ZVNKGXAHYQYQPI-XUZZJYLKSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(Cl)cc3Cl)N2)c1O ZINC000020764426 553696634 /nfs/dbraw/zinc/69/66/34/553696634.db2.gz PNFMFLCNVDSVTB-URXFXBBRSA-N 0 0 520.254 7.083 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764901 553696967 /nfs/dbraw/zinc/69/69/67/553696967.db2.gz VQCNFYVWJGVIRN-OFNKIYASSA-N 0 0 500.780 6.247 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020765167 553696982 /nfs/dbraw/zinc/69/69/82/553696982.db2.gz VSGFYTWXQVOXAZ-URXFXBBRSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764866 553696993 /nfs/dbraw/zinc/69/69/93/553696993.db2.gz VPOFWIDKIBXCCK-UPVQGACJSA-N 0 0 503.799 6.568 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3c(F)cccc3Cl)N2)c1O ZINC000020765262 553697013 /nfs/dbraw/zinc/69/70/13/553697013.db2.gz ADRIGWDKARVMIG-RDPSFJRHSA-N 0 0 503.799 6.568 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000095093181 553697586 /nfs/dbraw/zinc/69/75/86/553697586.db2.gz BTJNHAWTSFHBBN-SZPZYZBQSA-N 0 0 524.796 8.049 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000095481266 553701736 /nfs/dbraw/zinc/70/17/36/553701736.db2.gz CWIVQPQXEULQCF-HJTNQMAYSA-N 0 0 504.594 5.740 50 10 KKCARN Cc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)N=C(c3ccc(Cl)cc3Cl)C23C(=O)c2ccccc2C3=O)cc1 ZINC000095725754 553711064 /nfs/dbraw/zinc/71/10/64/553711064.db2.gz PYFHZIXHTYKSKW-HHHXNRCGSA-N 0 0 556.405 7.241 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000096021683 553717431 /nfs/dbraw/zinc/71/74/31/553717431.db2.gz LOUHYOSAVLLZKK-SSEXGKCCSA-N 0 0 597.144 6.743 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc(F)cc4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096022638 553721773 /nfs/dbraw/zinc/72/17/73/553721773.db2.gz YTUKXEVITIRQKC-CJFQQIECSA-N 0 0 564.730 5.754 50 10 KKCARN CN(C)c1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccccc4)c(=O)n2[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000096022632 553721777 /nfs/dbraw/zinc/72/17/77/553721777.db2.gz ZPUCTMFNERYKMJ-GWDONLJVSA-N 0 0 546.740 5.615 50 10 KKCARN CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000096234521 553731727 /nfs/dbraw/zinc/73/17/27/553731727.db2.gz MGJXXUZEAGXWST-LICLKQGHSA-N 0 0 513.276 6.406 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288721 553740557 /nfs/dbraw/zinc/74/05/57/553740557.db2.gz LBVJULNXZLPWBD-UHFFFAOYSA-N 0 0 525.498 5.898 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)COC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096290656 553743786 /nfs/dbraw/zinc/74/37/86/553743786.db2.gz DYVHLSTXVRQINE-UHFFFAOYSA-N 0 0 531.502 5.238 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(C)=O)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096290635 553743873 /nfs/dbraw/zinc/74/38/73/553743873.db2.gz OHFLUPQVUFGSJS-HXUWFJFHSA-N 0 0 529.486 5.135 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096291215 553744775 /nfs/dbraw/zinc/74/47/75/553744775.db2.gz SADZJZAGIYIALR-UHFFFAOYSA-N 0 0 528.637 5.960 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294076 553747305 /nfs/dbraw/zinc/74/73/05/553747305.db2.gz WZIKYKVABHRDNT-UHFFFAOYSA-N 0 0 527.514 6.144 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000096325063 553752099 /nfs/dbraw/zinc/75/20/99/553752099.db2.gz KZWBGUXNUSAWDF-NLFFAJNJSA-N 0 0 513.363 5.644 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccc(C)cc3N(C(=O)c3cccc4ccccc43)C(C)(C)C2=S)S1 ZINC000097944146 553768689 /nfs/dbraw/zinc/76/86/89/553768689.db2.gz PHNPZBGODAUYHQ-BFYITVNDSA-N 0 0 607.822 9.038 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000097944195 553769009 /nfs/dbraw/zinc/76/90/09/553769009.db2.gz PLUCAQITJQEUHC-UCQKPKSFSA-N 0 0 523.104 7.069 50 10 biogenic KKCARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000023410540 553774687 /nfs/dbraw/zinc/77/46/87/553774687.db2.gz SBASOAZAWDOLQT-MTJSOVHGSA-N 0 0 505.970 7.344 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000097946060 553776474 /nfs/dbraw/zinc/77/64/74/553776474.db2.gz ZUPGHGKNWSSFJH-DIBXZPPDSA-N 0 0 613.761 6.416 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000097946098 553776654 /nfs/dbraw/zinc/77/66/54/553776654.db2.gz JHWMOFQGQARYBY-UQQQWYQISA-N 0 0 602.763 6.016 50 10 KKCARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000097946106 553776684 /nfs/dbraw/zinc/77/66/84/553776684.db2.gz ATHLWAQJMGKWPM-JLPGSUDCSA-N 0 0 607.182 6.661 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C1CCCC1 ZINC000097946320 553778469 /nfs/dbraw/zinc/77/84/69/553778469.db2.gz MUOBHTAUEHYTOK-VEILYXNESA-N 0 0 555.700 7.401 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000097946372 553778748 /nfs/dbraw/zinc/77/87/48/553778748.db2.gz ZMHWDJXQGMBNEV-OEAKJJBVSA-N 0 0 644.697 6.857 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097946469 553779494 /nfs/dbraw/zinc/77/94/94/553779494.db2.gz KNOLIQMDHDLVSN-NAADSQMESA-N 0 0 622.599 7.805 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946479 553779846 /nfs/dbraw/zinc/77/98/46/553779846.db2.gz ZZFWSLBZIRGIBL-MZFJOGFUSA-N 0 0 724.695 8.629 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)cc1Cl ZINC000097946520 553780031 /nfs/dbraw/zinc/78/00/31/553780031.db2.gz DSNMNCPTOWRDBS-MYYYXRDXSA-N 0 0 566.535 7.646 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl ZINC000097946565 553780224 /nfs/dbraw/zinc/78/02/24/553780224.db2.gz RKMTZIHJTZIVJJ-SPMKTWQFSA-N 0 0 574.149 5.370 50 10 KKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000097946932 553782322 /nfs/dbraw/zinc/78/23/22/553782322.db2.gz VLXCDEHKWGRABL-COEJQBHMSA-N 0 0 561.110 8.080 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1OC ZINC000097946947 553782387 /nfs/dbraw/zinc/78/23/87/553782387.db2.gz CUNDREJZCHTBTO-LPYMAVHISA-N 0 0 520.459 6.715 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(I)cc3)SC2=S)cc1OC ZINC000097946952 553782651 /nfs/dbraw/zinc/78/26/51/553782651.db2.gz FLEUMCWKWMKUCP-ONUIUJJFSA-N 0 0 653.567 6.605 50 10 KKCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000097947044 553783095 /nfs/dbraw/zinc/78/30/95/553783095.db2.gz WWCAEFBAPJHMQY-YVVITCHPSA-N 0 0 626.414 7.289 50 10 KKCARN Cc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947057 553783329 /nfs/dbraw/zinc/78/33/29/553783329.db2.gz NTLPKTPZVIHRLS-GMPUOFRTSA-N 0 0 591.969 6.902 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000097947132 553783879 /nfs/dbraw/zinc/78/38/79/553783879.db2.gz RJEQZICNUTWNRB-KQWNVCNZSA-N 0 0 556.551 7.092 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC1=S ZINC000097947133 553783947 /nfs/dbraw/zinc/78/39/47/553783947.db2.gz KHICZERHXRCXPH-MEFGMAGPSA-N 0 0 594.828 6.495 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 ZINC000097947170 553784086 /nfs/dbraw/zinc/78/40/86/553784086.db2.gz FRUXUSJQBIGBFF-SNCSUOKWSA-N 0 0 584.745 8.215 50 10 KKCARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(C(C)(C)C)cc4)SC3=S)cc2)C[C@H](C)O1 ZINC000097947163 553784129 /nfs/dbraw/zinc/78/41/29/553784129.db2.gz UMARWQKZRJEUMA-FCVRBJDUSA-N 0 0 601.816 5.012 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccccc1 ZINC000097947203 553784485 /nfs/dbraw/zinc/78/44/85/553784485.db2.gz HDGYOVGDLBRQMA-LQNQUEJISA-N 0 0 628.606 8.827 50 10 KKCARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 ZINC000097947188 553784489 /nfs/dbraw/zinc/78/44/89/553784489.db2.gz JGFQVMNTNUKEIS-BWPWCYPLSA-N 0 0 561.711 5.651 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1Cl ZINC000097947228 553784660 /nfs/dbraw/zinc/78/46/60/553784660.db2.gz RFDKTAYCZROMLF-UQQQWYQISA-N 0 0 538.138 7.515 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1C1CCCC1 ZINC000097947212 553784693 /nfs/dbraw/zinc/78/46/93/553784693.db2.gz AEMABXNVHZWNOG-QXPFVDMISA-N 0 0 587.770 8.415 50 10 KKCARN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000023486682 553787323 /nfs/dbraw/zinc/78/73/23/553787323.db2.gz LYEFDABMFLRXQB-UHFFFAOYSA-N 0 0 518.479 5.090 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Oc1cc2sc(=O)oc2c(-c2ccc(Cl)cc2)c1 ZINC000097947581 553787365 /nfs/dbraw/zinc/78/73/65/553787365.db2.gz IBCQKJUJBCRMBJ-MTJSOVHGSA-N 0 0 554.070 6.372 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O ZINC000097948610 553795252 /nfs/dbraw/zinc/79/52/52/553795252.db2.gz ASYKOUUZBZIDHG-FQEVSTJZSA-N 0 0 585.970 6.966 50 10 KKCARN COc1cccc(C2=NN(C(=O)CC34C[C@H]5C[C@@H](C3)CC(n3cc(Br)c([N+](=O)[O-])n3)(C5)C4)[C@H](c3ccccc3O)C2)c1 ZINC000097949040 553798765 /nfs/dbraw/zinc/79/87/65/553798765.db2.gz HLMADTLTDJWMKC-SZWQPTPASA-N 0 0 634.531 6.332 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(=O)NCc4cccc5ccccc54)c4ccccc4n3)CC2)cc1 ZINC000025161977 553803150 /nfs/dbraw/zinc/80/31/50/553803150.db2.gz GCJNDYJTWAMVEJ-UHFFFAOYSA-N 0 0 502.618 5.653 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(C)cc(C)c3N(C(=O)C(C)C)C(C)(C)C2=S)S1 ZINC000097949802 553803146 /nfs/dbraw/zinc/80/31/46/553803146.db2.gz GRHXWBRVJHCJAI-UHFFFAOYSA-N 0 0 533.737 5.941 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC(=O)c4ccccc4)ccc3NC(C)(C)C2=S)S1 ZINC000097950505 553804506 /nfs/dbraw/zinc/80/45/06/553804506.db2.gz KHLJXNBSAMXJKR-UHFFFAOYSA-N 0 0 527.645 5.186 50 10 KKCARN CN(C)c1ccc(C(NC(=O)c2cccc(Br)c2)NC(=O)c2cccc(Br)c2)cc1 ZINC000097950672 553805315 /nfs/dbraw/zinc/80/53/15/553805315.db2.gz QDYZTJGSDXBNHE-UHFFFAOYSA-N 0 0 531.248 5.136 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000097951402 553808835 /nfs/dbraw/zinc/80/88/35/553808835.db2.gz UEWAHKIBZVFBQX-LJAQVGFWSA-N 0 0 538.482 8.025 50 10 KKCARN Oc1c(Br)cc(Br)cc1CNc1ncc(Br)cc1Br ZINC000097952050 553812750 /nfs/dbraw/zinc/81/27/50/553812750.db2.gz VZOOGMPYLUXQQH-UHFFFAOYSA-N 0 0 515.825 5.449 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000097952222 553814138 /nfs/dbraw/zinc/81/41/38/553814138.db2.gz ATXOABCRGLXXHK-LJAQVGFWSA-N 0 0 541.615 6.399 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(Cl)cc3)C1=N2 ZINC000097952391 553815373 /nfs/dbraw/zinc/81/53/73/553815373.db2.gz JYXXONYKZXLXRL-MUUNZHRXSA-N 0 0 547.018 7.041 50 10 KKCARN N=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000026608611 553819744 /nfs/dbraw/zinc/81/97/44/553819744.db2.gz UMRLIWTVNQSMDX-YQJYZDSNSA-N 0 0 507.402 6.240 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)SC2=S)cc1OC ZINC000026965723 553822590 /nfs/dbraw/zinc/82/25/90/553822590.db2.gz YCJLMLOQLUERCW-UQQQWYQISA-N 0 0 519.644 5.675 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000027018366 553823407 /nfs/dbraw/zinc/82/34/07/553823407.db2.gz PLSXGEHRUONGMO-LTXUPPABSA-N 0 0 516.667 5.716 50 10 KKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000027020797 553824047 /nfs/dbraw/zinc/82/40/47/553824047.db2.gz MJRUVVKSLSCDLE-ONUIUJJFSA-N 0 0 511.672 6.728 50 10 KKCARN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1 ZINC000027519415 553826709 /nfs/dbraw/zinc/82/67/09/553826709.db2.gz FEAHBGGFBZLIJQ-RCCKNPSSSA-N 0 0 500.381 7.927 50 10 KKCARN CCCCCCOc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccc(Br)cc2)cc1 ZINC000027520819 553827063 /nfs/dbraw/zinc/82/70/63/553827063.db2.gz PLWLSXTYJYOLML-XHPQRKPJSA-N 0 0 521.430 7.382 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000027521521 553827654 /nfs/dbraw/zinc/82/76/54/553827654.db2.gz JANOCDOHUGZFGU-YZSQISJMSA-N 0 0 510.009 6.134 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 ZINC000027531853 553831991 /nfs/dbraw/zinc/83/19/91/553831991.db2.gz JHZXLKJGNHHDBA-RCCKNPSSSA-N 0 0 508.061 5.353 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCCOc4ccc(Br)cc4)c3)C2=N)S1 ZINC000027533848 553832297 /nfs/dbraw/zinc/83/22/97/553832297.db2.gz UJEYEPRUENESGY-VHARHKTESA-N 0 0 513.417 5.326 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCOc3ccc(Br)cc3)C2=N)S1 ZINC000027533835 553832380 /nfs/dbraw/zinc/83/23/80/553832380.db2.gz CKWFZEWBISPZRV-OCTOJFLBSA-N 0 0 513.417 5.326 50 10 KKCARN Cc1c(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1CCOc1cccc(C)c1 ZINC000027546809 553833069 /nfs/dbraw/zinc/83/30/69/553833069.db2.gz ZORQIGMBVIIXKI-DHRCOFPMSA-N 0 0 525.678 6.537 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4c(C)cccc4C)c(OC)c3)C2=N)S1 ZINC000027549769 553834104 /nfs/dbraw/zinc/83/41/04/553834104.db2.gz OARZUHJXNMCDNW-OURWUAPHSA-N 0 0 513.019 5.452 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OC ZINC000027549843 553834107 /nfs/dbraw/zinc/83/41/07/553834107.db2.gz NMGMQGNYTGZJFI-LQFMBGNBSA-N 0 0 520.655 5.942 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000027549828 553834114 /nfs/dbraw/zinc/83/41/14/553834114.db2.gz QQVOTNWUYXLDCF-QYCAXFPOSA-N 0 0 520.655 5.825 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 ZINC000027549759 553834117 /nfs/dbraw/zinc/83/41/17/553834117.db2.gz CVNJWCAKIJBSGW-MBTLPQJVSA-N 0 0 512.591 5.129 50 10 KKCARN CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1OC ZINC000027549863 553834369 /nfs/dbraw/zinc/83/43/69/553834369.db2.gz IIVWCDPVAFIYLI-SYXQJMHYSA-N 0 0 527.046 5.959 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029492039 553845452 /nfs/dbraw/zinc/84/54/52/553845452.db2.gz VPYWFDOGBZLODB-KHRWHRTMSA-N 0 0 523.637 6.164 50 10 KKCARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)N3c4ccccc4Sc4ccccc43)N(c3ccccc3)C2=O)cc1 ZINC000029493055 553846104 /nfs/dbraw/zinc/84/61/04/553846104.db2.gz NTKDYWQESJCENS-QQTULTPQSA-N 0 0 562.720 7.059 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000029492760 553846195 /nfs/dbraw/zinc/84/61/95/553846195.db2.gz RDCBDYZCUQMJTH-CEUNXORHSA-N 0 0 621.788 6.839 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000097957834 553848825 /nfs/dbraw/zinc/84/88/25/553848825.db2.gz PHKGYGQFPOPDQX-MYYYXRDXSA-N 0 0 558.552 8.289 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(I)c1OCc1cccc(C)c1 ZINC000097957820 553848857 /nfs/dbraw/zinc/84/88/57/553848857.db2.gz SUAJZYUKFDSUGQ-QJSMOPQASA-N 0 0 614.509 6.387 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097957936 553849663 /nfs/dbraw/zinc/84/96/63/553849663.db2.gz NKEACCZDRCAPNT-HSVRYATOSA-N 0 0 557.470 5.643 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000097957937 553849698 /nfs/dbraw/zinc/84/96/98/553849698.db2.gz SKXZPMHUTBQWCD-MWINZGNRSA-N 0 0 585.900 7.292 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 ZINC000097958093 553851163 /nfs/dbraw/zinc/85/11/63/553851163.db2.gz LXROTMUYALJBOW-UQKWMEENSA-N 0 0 570.671 5.640 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000097958085 553851167 /nfs/dbraw/zinc/85/11/67/553851167.db2.gz FKZKIUKTBISHNS-POMLAKLWSA-N 0 0 556.644 5.446 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000097958106 553851456 /nfs/dbraw/zinc/85/14/56/553851456.db2.gz BMEFFNHLACIWAK-FCWYARTDSA-N 0 0 526.618 5.437 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000097958149 553851777 /nfs/dbraw/zinc/85/17/77/553851777.db2.gz UMSBAMRZPWYMSP-ZMFWRCMXSA-N 0 0 557.503 7.171 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl ZINC000097958185 553852014 /nfs/dbraw/zinc/85/20/14/553852014.db2.gz UJKTWWYMMJYLRW-SOCOSYFPSA-N 0 0 569.083 6.014 50 10 KKCARN O=C(c1ccco1)N1CCN(c2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000029749480 553852231 /nfs/dbraw/zinc/85/22/31/553852231.db2.gz UJAMDPXDWPOONF-UHFFFAOYSA-N 0 0 638.124 5.449 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000097958584 553855914 /nfs/dbraw/zinc/85/59/14/553855914.db2.gz JGNSILTXUSJTEC-IVWMXWNPSA-N 0 0 548.646 5.199 50 10 KKCARN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2OC)c1 ZINC000097958614 553856218 /nfs/dbraw/zinc/85/62/18/553856218.db2.gz ZWKQTEJLABQIHI-JAQFQHSVSA-N 0 0 542.617 5.137 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000097958611 553856239 /nfs/dbraw/zinc/85/62/39/553856239.db2.gz NPFJSWRYUTWSGJ-WPPSSQEFSA-N 0 0 532.666 6.051 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097958678 553856893 /nfs/dbraw/zinc/85/68/93/553856893.db2.gz BQYFNKRMGPEYIP-HMAPJEAMSA-N 0 0 590.542 5.935 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4cc(Cl)cc(Cl)c4OS(=O)(=O)c4ccc(C)cc4)C3=N)S2)cc1 ZINC000097958690 553856897 /nfs/dbraw/zinc/85/68/97/553856897.db2.gz ABSFMTVPQNZIMC-AXEZRDJOSA-N 0 0 585.494 6.045 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccc(Br)cc4)c4ccccc34)C2=N)S1 ZINC000097958728 553857060 /nfs/dbraw/zinc/85/70/60/553857060.db2.gz NIOHQKJHOXHLPY-VTGHKQSHSA-N 0 0 536.455 5.902 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958714 553857076 /nfs/dbraw/zinc/85/70/76/553857076.db2.gz SKPUMGXYTJGHHE-XSFVSMFZSA-N 0 0 536.513 6.044 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000097958695 553857094 /nfs/dbraw/zinc/85/70/94/553857094.db2.gz WCJXZJLSEJRAPS-KUAKXHFKSA-N 0 0 589.117 6.675 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958797 553857699 /nfs/dbraw/zinc/85/76/99/553857699.db2.gz MDSYYIYSYKCFBH-DRTPBTBNSA-N 0 0 555.100 6.523 50 10 KKCARN CCC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097958819 553858108 /nfs/dbraw/zinc/85/81/08/553858108.db2.gz KSLVHDZKMPMIPZ-NJNXFGOHSA-N 0 0 553.540 7.552 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000097958906 553858740 /nfs/dbraw/zinc/85/87/40/553858740.db2.gz GQMXDBCOWLZNCO-TWKHWXDSSA-N 0 0 561.769 7.766 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)cc1 ZINC000097958925 553859009 /nfs/dbraw/zinc/85/90/09/553859009.db2.gz ZWNBRWBMFFPSPE-IEXGJOTBSA-N 0 0 574.728 6.786 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccc([C@H](C)CC)cc1 ZINC000097958975 553859350 /nfs/dbraw/zinc/85/93/50/553859350.db2.gz FTVDFIINGNYALP-ZDSQJECRSA-N 0 0 534.143 7.321 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000097959023 553859985 /nfs/dbraw/zinc/85/99/85/553859985.db2.gz VDROKWRZRAHGQE-PDGQHHTCSA-N 0 0 528.877 5.790 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000097959059 553860427 /nfs/dbraw/zinc/86/04/27/553860427.db2.gz HVTGSZYACHIZKH-NJIOILOSSA-N 0 0 532.647 5.580 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097959122 553861062 /nfs/dbraw/zinc/86/10/62/553861062.db2.gz VNLMBOAORMAPQV-MOSHPQCFSA-N 0 0 556.931 6.489 50 10 KKCARN CCCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000032099406 553862271 /nfs/dbraw/zinc/86/22/71/553862271.db2.gz IHIBYNXKPDUGPN-ZHZULCJRSA-N 0 0 513.428 5.770 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1C ZINC000097959474 553863906 /nfs/dbraw/zinc/86/39/06/553863906.db2.gz VGOOZLNTWKTCMR-OVVQPSECSA-N 0 0 568.160 7.605 50 10 KKCARN Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c2cc(C)ccc2n1CCOc1cc(Cl)ccc1Cl ZINC000097959455 553864000 /nfs/dbraw/zinc/86/40/00/553864000.db2.gz MECYJSPGRQEJFZ-YUMHPJSZSA-N 0 0 567.563 8.045 50 10 KKCARN COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000097960411 553871278 /nfs/dbraw/zinc/87/12/78/553871278.db2.gz IDQSPIDTRKZYFP-QFEZKATASA-N 0 0 671.354 7.877 50 10 KKCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000097960406 553871307 /nfs/dbraw/zinc/87/13/07/553871307.db2.gz OPMOTDUZBVOTEL-ONUIUJJFSA-N 0 0 531.008 5.273 50 10 KKCARN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O ZINC000097960455 553871695 /nfs/dbraw/zinc/87/16/95/553871695.db2.gz PBNRGJUUHMCCFH-OGLMXYFKSA-N 0 0 568.605 5.352 50 10 KKCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000097960963 553874756 /nfs/dbraw/zinc/87/47/56/553874756.db2.gz FOOMFPXPNUUBPB-LPYMAVHISA-N 0 0 524.440 5.532 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097961861 553881117 /nfs/dbraw/zinc/88/11/17/553881117.db2.gz NQBLRPPARJIHOK-HMAPJEAMSA-N 0 0 603.947 6.626 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000097961836 553881125 /nfs/dbraw/zinc/88/11/25/553881125.db2.gz TWTOWCSEEONHMO-ZMOGYAJESA-N 0 0 546.497 7.386 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1Cl ZINC000097961837 553881133 /nfs/dbraw/zinc/88/11/33/553881133.db2.gz JCSONAGIIJSGTF-FSJBWODESA-N 0 0 532.470 6.995 50 10 KKCARN COc1cc(OC)c(-n2cccc2/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1Cl ZINC000032964441 553882486 /nfs/dbraw/zinc/88/24/86/553882486.db2.gz KBZPDIHQQHLDJE-HSVRYATOSA-N 0 0 505.987 5.010 50 10 KKCARN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1C ZINC000097962155 553883357 /nfs/dbraw/zinc/88/33/57/553883357.db2.gz CZAXNTZXLVTNFN-UCQKPKSFSA-N 0 0 596.528 5.630 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000097962122 553883359 /nfs/dbraw/zinc/88/33/59/553883359.db2.gz DQCRWGGZROOHSA-LPYMAVHISA-N 0 0 529.014 5.613 50 10 KKCARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040590 553893767 /nfs/dbraw/zinc/89/37/67/553893767.db2.gz IZSAVVYPJRTJMO-GDLZYMKVSA-N 0 0 510.707 7.183 50 10 KKCARN Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040566 553893810 /nfs/dbraw/zinc/89/38/10/553893810.db2.gz HGFDEOFQCDGFFS-NDEPHWFRSA-N 0 0 531.125 7.583 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1Cl ZINC000033040546 553893816 /nfs/dbraw/zinc/89/38/16/553893816.db2.gz DTBRJRRTHAYZAK-NDEPHWFRSA-N 0 0 531.125 7.583 50 10 KKCARN CCc1ccc(NC(=O)N2Cc3c(C)nn(-c4ccccc4)c3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000033051190 553895797 /nfs/dbraw/zinc/89/57/97/553895797.db2.gz FSMDVCDWQWWXOJ-HKBQPEDESA-N 0 0 530.676 6.737 50 10 KKCARN CCCCCCOc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000097964058 553896238 /nfs/dbraw/zinc/89/62/38/553896238.db2.gz PVVPUOHLGREJDA-GLCLLZDNSA-N 0 0 582.726 7.079 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965171 553903362 /nfs/dbraw/zinc/90/33/62/553903362.db2.gz OCKBIWXCNUZBMP-MHGOXQLISA-N 0 0 558.726 7.174 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097966213 553907606 /nfs/dbraw/zinc/90/76/06/553907606.db2.gz HGMVGSMYSYSXON-MFARRGDHSA-N 0 0 658.562 6.834 50 10 KKCARN CC(C)CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCCC(C)C)C2=O)SC1=S ZINC000097966319 553908164 /nfs/dbraw/zinc/90/81/64/553908164.db2.gz BMOGYEJKSDBILC-WCWDXBQESA-N 0 0 630.920 6.218 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000097966425 553908625 /nfs/dbraw/zinc/90/86/25/553908625.db2.gz VUCOQJYKQBCNRV-BOYKQRMESA-N 0 0 705.736 5.547 50 10 KKCARN CCn1nc(C)c(CCNC(=O)c2ccc(-n3c(-c4cccc(OC)c4)cc4c3CCCCC4)cc2)c1C ZINC000033114816 553910746 /nfs/dbraw/zinc/91/07/46/553910746.db2.gz CDXPRCHJNGZFSG-UHFFFAOYSA-N 0 0 510.682 6.228 50 10 KKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)N4CCN(c5ccccn5)CC4)cc2)CCCCC3)c1 ZINC000033114808 553910829 /nfs/dbraw/zinc/91/08/29/553910829.db2.gz GVSSEGSKDAJIGE-UHFFFAOYSA-N 0 0 506.650 5.779 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000033155012 553911375 /nfs/dbraw/zinc/91/13/75/553911375.db2.gz QDKQWZPXHNIWAD-GZTJUZNOSA-N 0 0 501.207 7.236 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)NCc1ccc(C)cc1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266852 553917481 /nfs/dbraw/zinc/91/74/81/553917481.db2.gz GTTLOXCRJTYMTH-HKBQPEDESA-N 0 0 530.676 6.161 50 10 KKCARN CCOCCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 ZINC000033266851 553917528 /nfs/dbraw/zinc/91/75/28/553917528.db2.gz CTPUMKVSARGRFJ-MUUNZHRXSA-N 0 0 512.658 5.079 50 10 KKCARN COc1ccccc1OCCn1c(C)c(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21 ZINC000033293617 553920647 /nfs/dbraw/zinc/92/06/47/553920647.db2.gz ZHNSWBDLAYGGSF-NJIOILOSSA-N 0 0 501.612 5.312 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000033353383 553924754 /nfs/dbraw/zinc/92/47/54/553924754.db2.gz IIHXEKNMEYIPSV-LYBHJNIJSA-N 0 0 549.457 9.468 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000033354256 553928944 /nfs/dbraw/zinc/92/89/44/553928944.db2.gz HUSFIGJETOHCJD-KGENOOAVSA-N 0 0 518.576 5.058 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Sc2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000033354234 553928996 /nfs/dbraw/zinc/92/89/96/553928996.db2.gz WBJLLEFIVRCZOU-CDSIFPFTSA-N 0 0 653.595 8.582 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C3=C2C(=O)N(c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1 ZINC000033354419 553929691 /nfs/dbraw/zinc/92/96/91/553929691.db2.gz BPWNHHOJBQUKLA-UXCHMGEPSA-N 0 0 527.580 6.684 50 10 KKCARN Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000033354902 553932103 /nfs/dbraw/zinc/93/21/03/553932103.db2.gz KZJWGEPAJQHHLJ-UHFFFAOYSA-N 0 0 521.451 5.151 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000033358234 553953983 /nfs/dbraw/zinc/95/39/83/553953983.db2.gz AJTFMAIQZIEPFQ-OFWBYEQRSA-N 0 0 524.580 7.526 50 10 KKCARN O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000033358288 553954231 /nfs/dbraw/zinc/95/42/31/553954231.db2.gz XEHNBXFMNLYXFY-YDZHTSKRSA-N 0 0 522.482 7.311 50 10 KKCARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000033362715 553957340 /nfs/dbraw/zinc/95/73/40/553957340.db2.gz CHWVCHNIYNDHBA-WQRHYEAKSA-N 0 0 511.452 5.407 50 10 KKCARN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=S)N1c1ccc(F)cc1 ZINC000033363910 553957519 /nfs/dbraw/zinc/95/75/19/553957519.db2.gz ZQNGJGANJDTKFR-MYYYXRDXSA-N 0 0 506.023 7.617 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 ZINC000033386609 553958139 /nfs/dbraw/zinc/95/81/39/553958139.db2.gz MSPIUBBXVNZFII-JLPGSUDCSA-N 0 0 520.632 5.517 50 10 KKCARN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C2=C(N=3)/C(=C/c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000097970787 553958677 /nfs/dbraw/zinc/95/86/77/553958677.db2.gz CKBASZHQXNYKCX-BMWPGJQOSA-N 0 0 560.767 5.923 50 10 KKCARN CCOCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S ZINC000033476181 553961003 /nfs/dbraw/zinc/96/10/03/553961003.db2.gz MSRCFLCPFRHATE-JJIBRWJFSA-N 0 0 507.681 5.954 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971158 553961125 /nfs/dbraw/zinc/96/11/25/553961125.db2.gz UVJNOXXQSVICLT-IXXPZIILSA-N 0 0 558.082 6.817 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033853220 553975210 /nfs/dbraw/zinc/97/52/10/553975210.db2.gz ULUNLLBIEPYRMT-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033853222 553975252 /nfs/dbraw/zinc/97/52/52/553975252.db2.gz ULUNLLBIEPYRMT-OCBJUFRSSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000033922308 553976799 /nfs/dbraw/zinc/97/67/99/553976799.db2.gz ZPGPRSSCYCVUGY-ODLFYWEKSA-N 0 0 505.495 5.932 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000033926494 553976805 /nfs/dbraw/zinc/97/68/05/553976805.db2.gz MXCKWSCWXVQTED-HMAPJEAMSA-N 0 0 507.999 5.596 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3csc4c3CCCC4)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000097981079 553992014 /nfs/dbraw/zinc/99/20/14/553992014.db2.gz REIOYSZIVPCXRQ-MYKKPKGFSA-N 0 0 605.590 7.068 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc1 ZINC000034832843 554018020 /nfs/dbraw/zinc/01/80/20/554018020.db2.gz OHJPMCADDYKYJT-UHFFFAOYSA-N 0 0 519.605 5.043 50 10 KKCARN COc1cccc(C(=O)NN2C(=O)/C(=C/c3c(C)nn(-c4cc(C)ccc4C)c3Cl)SC2=S)c1 ZINC000097990663 554028713 /nfs/dbraw/zinc/02/87/13/554028713.db2.gz UFMHWVXSEQCEGB-NDENLUEZSA-N 0 0 513.044 5.006 50 10 KKCARN COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c1C ZINC000035058111 554033814 /nfs/dbraw/zinc/03/38/14/554033814.db2.gz AAAVRBDPWKBWCY-CLFLCJOWSA-N 0 0 527.694 6.247 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000035105425 554035033 /nfs/dbraw/zinc/03/50/33/554035033.db2.gz SEZLPBVIJXUGMB-BOSGDGIHSA-N 0 0 513.985 6.150 50 10 KKCARN CCN(CC)c1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1 ZINC000035198368 554041686 /nfs/dbraw/zinc/04/16/86/554041686.db2.gz BPGDYXBYNJWDPL-NFFVHWSESA-N 0 0 510.707 5.910 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000097999431 554042894 /nfs/dbraw/zinc/04/28/94/554042894.db2.gz HQSBKTIVWDRFPY-UHFFFAOYSA-N 0 0 623.696 6.619 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OC)ccc3N(C(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C2=S)S1 ZINC000097999549 554043723 /nfs/dbraw/zinc/04/37/23/554043723.db2.gz SURGZQDRHATBBW-UHFFFAOYSA-N 0 0 625.834 7.288 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC2(S1)C(C(=O)OCC)=C(C(=O)OCC)SC1=C2c2cc(OCC)ccc2N(CC(=O)c2ccccc2)C1(C)C ZINC000097999798 554045962 /nfs/dbraw/zinc/04/59/62/554045962.db2.gz FBCBIBOQRQYPSV-UHFFFAOYSA-N 0 0 767.944 6.919 50 10 KKCARN COc1ccc(N2CCN(CN3C(=S)N4[C@@H](c5ccccc5)N(CN5CCN(c6ccc(OC)cc6)CC5)C(=S)N4[C@H]3c3ccccc3)CC2)cc1 ZINC000098008447 554067531 /nfs/dbraw/zinc/06/75/31/554067531.db2.gz ATCCOXHBYHXTJE-UWXQCODUSA-N 0 0 734.996 5.681 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000098010789 554074711 /nfs/dbraw/zinc/07/47/11/554074711.db2.gz RKRNODYPYMSCFJ-UHFFFAOYSA-N 0 0 611.135 6.944 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(SCc4cccc(C(=O)NCC5CC5)c4)n3)CC2)cc1 ZINC000098015061 554095589 /nfs/dbraw/zinc/09/55/89/554095589.db2.gz LOWANESYAOJXEE-UHFFFAOYSA-N 0 0 557.642 5.263 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccccc2)cc1OC ZINC000098019503 554112728 /nfs/dbraw/zinc/11/27/28/554112728.db2.gz XKSFIKZPJIVYLC-UHFFFAOYSA-N 0 0 601.769 5.914 50 10 KKCARN CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(C5CCC(CCCCC)CC5)cc4)c4c3C(=O)c3ccccc3C4=O)cc2)CC1 ZINC000098045076 554130625 /nfs/dbraw/zinc/13/06/25/554130625.db2.gz BFSPVDHUWQIHQQ-UHFFFAOYSA-N 0 0 752.992 12.609 50 10 KKCARN O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Br)c2ccccc21 ZINC000098045669 554133206 /nfs/dbraw/zinc/13/32/06/554133206.db2.gz OFBADCXKYILITL-UHFFFAOYSA-N 0 0 543.489 6.870 50 10 KKCARN COc1ccc(N2CCN(c3ncc(Cl)c(C(=O)Nc4c5ccccc5oc4C(=O)c4ccccc4)n3)CC2)cc1 ZINC000098047877 554157093 /nfs/dbraw/zinc/15/70/93/554157093.db2.gz HYQRVCMLGLBRFZ-UHFFFAOYSA-N 0 0 568.033 5.695 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccc(C)cc5)N=C4C)[C@H]3C2)cc1 ZINC000036056325 554159842 /nfs/dbraw/zinc/15/98/42/554159842.db2.gz UWUPDEOBNQWGSH-XRKRLSELSA-N 0 0 501.030 5.317 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)CN3C(=O)c4cccc5cccc(c54)C3=O)C(C)(C)C2=S)S1 ZINC000098048822 554161788 /nfs/dbraw/zinc/16/17/88/554161788.db2.gz GAKMXWVSYLTZTP-UHFFFAOYSA-N 0 0 658.779 5.646 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCC(C)C)c4)nc(C)c3C)CC2)cc1 ZINC000036064110 554162860 /nfs/dbraw/zinc/16/28/60/554162860.db2.gz XYGORWQBJSUYCI-UHFFFAOYSA-N 0 0 519.715 5.107 50 10 KKCARN O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000100028206 554183856 /nfs/dbraw/zinc/18/38/56/554183856.db2.gz UGCDBQWJXSAYIL-UHFFFAOYSA-N 0 0 511.320 5.447 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)Nc3cccc(Cl)c3)C(C)(C)C2=S)S1 ZINC000100114741 554222895 /nfs/dbraw/zinc/22/28/95/554222895.db2.gz JRNDMKNANHSFJN-UHFFFAOYSA-N 0 0 575.133 6.555 50 10 KKCARN CC[C@H](C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C)c1ccccc1 ZINC000100117984 554224081 /nfs/dbraw/zinc/22/40/81/554224081.db2.gz YHRSJXWCYMXYDN-KRWDZBQOSA-N 0 0 553.727 6.082 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)c(C)cc3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000100118855 554224117 /nfs/dbraw/zinc/22/41/17/554224117.db2.gz AYTQBEHZGXRHJH-UHFFFAOYSA-N 0 0 553.727 5.747 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000100147664 554230733 /nfs/dbraw/zinc/23/07/33/554230733.db2.gz MHGPRUKCFAKLHN-MWAVMZGNSA-N 0 0 514.028 8.271 50 10 KKCARN CCOc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000100163994 554235529 /nfs/dbraw/zinc/23/55/29/554235529.db2.gz YSLRKPSKESJBHC-CXUHLZMHSA-N 0 0 543.053 6.179 50 10 KKCARN CCCCCCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)cc1 ZINC000100172357 554238806 /nfs/dbraw/zinc/23/88/06/554238806.db2.gz BXJCKMQHTQGXQA-UQQQWYQISA-N 0 0 547.449 6.971 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000037421862 554243206 /nfs/dbraw/zinc/24/32/06/554243206.db2.gz YNAVGNSNPSSEGY-HXUWFJFHSA-N 0 0 505.681 5.028 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037424036 554243950 /nfs/dbraw/zinc/24/39/50/554243950.db2.gz LRZOAVBRTSMWEF-UHFFFAOYSA-N 0 0 529.703 5.186 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000100198672 554246372 /nfs/dbraw/zinc/24/63/72/554246372.db2.gz WFOMFNDXCMGNTM-MOSHPQCFSA-N 0 0 569.486 5.596 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000100198694 554246424 /nfs/dbraw/zinc/24/64/24/554246424.db2.gz YCYCPRVFAQIYPC-QNGOZBTKSA-N 0 0 597.540 6.276 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100236456 554258492 /nfs/dbraw/zinc/25/84/92/554258492.db2.gz AUPPWJMHTAPXRJ-MUXKCCDJSA-N 0 0 608.503 8.125 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000100241651 554260787 /nfs/dbraw/zinc/26/07/87/554260787.db2.gz FOIODMJAVWCVDY-JKALPCAWSA-N 0 0 545.897 5.702 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260458 554265511 /nfs/dbraw/zinc/26/55/11/554265511.db2.gz WBUXFTHWDYYNLP-UUYOSTAYSA-N 0 0 548.886 7.222 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260400 554265531 /nfs/dbraw/zinc/26/55/31/554265531.db2.gz ONHCZLUSLBVMPU-UUYOSTAYSA-N 0 0 559.438 6.477 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000100267464 554267401 /nfs/dbraw/zinc/26/74/01/554267401.db2.gz PGNONVROWGVOLW-ODTJMHGJSA-N 0 0 532.021 6.111 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100267502 554267681 /nfs/dbraw/zinc/26/76/81/554267681.db2.gz UXOKUFUHFRZNTE-VVFBJTNSSA-N 0 0 539.657 6.464 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000100267628 554267929 /nfs/dbraw/zinc/26/79/29/554267929.db2.gz YXOUTJKBSHJEIB-NQDAVXOOSA-N 0 0 546.446 6.341 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1cccc(C)c1 ZINC000100269884 554268871 /nfs/dbraw/zinc/26/88/71/554268871.db2.gz KCZYKHFEFPHUKR-KQWNVCNZSA-N 0 0 603.503 6.472 50 10 KKCARN COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000100277641 554275773 /nfs/dbraw/zinc/27/57/73/554275773.db2.gz PIXJURNAZKULSX-PCLIKHOPSA-N 0 0 553.596 6.229 50 10 KKCARN COc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(OC)c(OC)c2)cc1Br ZINC000100285868 554279886 /nfs/dbraw/zinc/27/98/86/554279886.db2.gz LCLFMWVSUIAJMP-NDENLUEZSA-N 0 0 538.354 5.218 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)c(Br)c2)cc1C ZINC000100286474 554280516 /nfs/dbraw/zinc/28/05/16/554280516.db2.gz YFGLXKOPDDMAIT-FYJGNVAPSA-N 0 0 522.355 5.517 50 10 KKCARN COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100299817 554290280 /nfs/dbraw/zinc/29/02/80/554290280.db2.gz IIFIPPGHMIFQTH-BRABVMKYSA-N 0 0 520.588 5.785 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccccc1C ZINC000100299580 554290391 /nfs/dbraw/zinc/29/03/91/554290391.db2.gz HALHYJGCYCEZKO-KOEQRZSOSA-N 0 0 571.680 5.426 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000100300040 554290622 /nfs/dbraw/zinc/29/06/22/554290622.db2.gz ZUPGHGKNWSSFJH-ZXVVBBHZSA-N 0 0 613.761 6.416 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000041076348 554292035 /nfs/dbraw/zinc/29/20/35/554292035.db2.gz AGJVLVPJAOXHOT-VHLAIDERSA-N 0 0 500.455 6.600 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(I)c1OCc1ccccc1 ZINC000100319736 554304539 /nfs/dbraw/zinc/30/45/39/554304539.db2.gz SUKOKGDAGYNWJC-XDHOZWIPSA-N 0 0 558.803 6.338 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)cc1C ZINC000100326140 554310041 /nfs/dbraw/zinc/31/00/41/554310041.db2.gz GHSLKAZVKGYCOG-AFUMVMLFSA-N 0 0 581.557 7.106 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100327319 554310711 /nfs/dbraw/zinc/31/07/11/554310711.db2.gz VBEJEFRGSUDNSH-ZMOGYAJESA-N 0 0 551.602 6.717 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC1=S ZINC000100339379 554324258 /nfs/dbraw/zinc/32/42/58/554324258.db2.gz VELYEZBCAXTNOG-LPYMAVHISA-N 0 0 530.440 6.582 50 10 KKCARN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)SC2=S)cc1 ZINC000100341048 554325450 /nfs/dbraw/zinc/32/54/50/554325450.db2.gz VNSKIEYKWDNGIM-OEAKJJBVSA-N 0 0 543.483 6.639 50 10 KKCARN CC(C)c1ccc([C@@H]2C3(C(=O)c4ccccc4C3=O)[C@H](c3ccc(C(C)C)cc3)N(c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000049766778 554325596 /nfs/dbraw/zinc/32/55/96/554325596.db2.gz RFPMEPBFMUZGMY-AMAPPZPBSA-N 0 0 643.783 9.162 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000100341804 554326311 /nfs/dbraw/zinc/32/63/11/554326311.db2.gz URWOGFDWTOOLFM-OEAKJJBVSA-N 0 0 574.493 6.980 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)n1c(SCc2ccc(Cl)cc2)nc2ccccc21 ZINC000050861049 554327806 /nfs/dbraw/zinc/32/78/06/554327806.db2.gz KLNQALJAJAYFST-STZFKDTASA-N 0 0 556.159 6.975 50 10 KKCARN Cc1ccc(CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000050861082 554327838 /nfs/dbraw/zinc/32/78/38/554327838.db2.gz JJRZTYOFTZBCLW-JLPGSUDCSA-N 0 0 564.157 7.222 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)n1c(SCc2ccc(Cl)cc2)nc2ccccc21 ZINC000051075641 554328877 /nfs/dbraw/zinc/32/88/77/554328877.db2.gz YNZAUZLFTRYWIZ-HAHDFKILSA-N 0 0 584.575 7.567 50 10 KKCARN COc1ccc(Nc2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254727 554330408 /nfs/dbraw/zinc/33/04/08/554330408.db2.gz OGVAKPPEZABKIY-UHFFFAOYSA-N 0 0 581.072 6.646 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000100359099 554339693 /nfs/dbraw/zinc/33/96/93/554339693.db2.gz FHFNDNNGODYUGY-WYMPLXKRSA-N 0 0 534.615 5.156 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3cccc(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363588 554345754 /nfs/dbraw/zinc/34/57/54/554345754.db2.gz KVDFKHAYNIFAND-ISKFKSNPSA-N 0 0 514.261 6.702 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363677 554345788 /nfs/dbraw/zinc/34/57/88/554345788.db2.gz JFPWYBSYYOCSKL-IRLDBZIGSA-N 0 0 520.652 6.793 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363210 554345808 /nfs/dbraw/zinc/34/58/08/554345808.db2.gz RHQBIZZVISSJJP-ISKFKSNPSA-N 0 0 514.261 6.702 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1 ZINC000053363054 554345832 /nfs/dbraw/zinc/34/58/32/554345832.db2.gz ALZJEZFFBVWKGI-UNMCSNQZSA-N 0 0 504.197 6.279 50 10 KKCARN CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363217 554345885 /nfs/dbraw/zinc/34/58/85/554345885.db2.gz RHQBIZZVISSJJP-UPVQGACJSA-N 0 0 514.261 6.702 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363212 554345893 /nfs/dbraw/zinc/34/58/93/554345893.db2.gz RHQBIZZVISSJJP-LADGPHEKSA-N 0 0 514.261 6.702 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053363991 554346535 /nfs/dbraw/zinc/34/65/35/554346535.db2.gz MWKAKCXMWGSUEV-NVQXNPDNSA-N 0 0 511.416 5.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364142 554346648 /nfs/dbraw/zinc/34/66/48/554346648.db2.gz COWNNRCVZKUBLQ-PXDATVDWSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364195 554346685 /nfs/dbraw/zinc/34/66/85/554346685.db2.gz ZTLNSIYGXLWTGL-GJZUVCINSA-N 0 0 511.416 5.793 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364340 554346986 /nfs/dbraw/zinc/34/69/86/554346986.db2.gz QJKBWCLVOQPNDN-LADGPHEKSA-N 0 0 504.255 7.246 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000053364924 554347239 /nfs/dbraw/zinc/34/72/39/554347239.db2.gz XRXJZPAWSZJZJM-RCZVLFRGSA-N 0 0 509.400 5.563 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3cc(Br)ccc3F)N2)c1O ZINC000053364747 554347323 /nfs/dbraw/zinc/34/73/23/554347323.db2.gz OMDBOONOQAZYJE-ZJSXRUAMSA-N 0 0 548.250 6.678 50 10 KKCARN COc1cccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364990 554347613 /nfs/dbraw/zinc/34/76/13/554347613.db2.gz SXEUSXILOIQDNU-GGAORHGYSA-N 0 0 534.223 6.287 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc(Br)c2)OC32C(=O)c3ccccc3C2=O)cc1Cl ZINC000100413963 554377286 /nfs/dbraw/zinc/37/72/86/554377286.db2.gz AFHFBCHKRTTWOD-FKBYEOEOSA-N 0 0 550.792 5.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100414187 554377959 /nfs/dbraw/zinc/37/79/59/554377959.db2.gz QETYVWJHHQUZBE-NJYVYQBISA-N 0 0 571.210 5.451 50 10 KKCARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100414921 554380231 /nfs/dbraw/zinc/38/02/31/554380231.db2.gz QDROOGSYBLGICH-FDFHNCONSA-N 0 0 550.792 5.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100415327 554381500 /nfs/dbraw/zinc/38/15/00/554381500.db2.gz YPIINWIWFSQQES-HKBOAZHASA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100415333 554381583 /nfs/dbraw/zinc/38/15/83/554381583.db2.gz COWPUGUPZCGKPM-NJYVYQBISA-N 0 0 570.317 5.163 50 10 KKCARN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059448527 554396171 /nfs/dbraw/zinc/39/61/71/554396171.db2.gz XNUFZVZRNDDRJU-NBQDTTAVSA-N 0 0 593.108 6.288 50 10 KKCARN COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)c1 ZINC000100509858 554408384 /nfs/dbraw/zinc/40/83/84/554408384.db2.gz QPKLMPRSXYZWPY-OEAKJJBVSA-N 0 0 539.103 6.769 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)/C=C/c3ccc(OC)cc3)C(C)(C)C2=S)S1 ZINC000100534235 554411804 /nfs/dbraw/zinc/41/18/04/554411804.db2.gz KRBJKENFWXXKJG-NTCAYCPXSA-N 0 0 581.737 5.918 50 10 KKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc(I)ccc4Cl)ccc3o2)cc1 ZINC000100545702 554413760 /nfs/dbraw/zinc/41/37/60/554413760.db2.gz CZDSWDAYESIYPA-UHFFFAOYSA-N 0 0 517.754 6.071 50 10 KKCARN COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000059646064 554417184 /nfs/dbraw/zinc/41/71/84/554417184.db2.gz UGHZCKSCIPJOTM-GOHWNWGWSA-N 0 0 526.014 6.193 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cc(C)ccc4C(C)C)c(OC)c3)C2=N)S1 ZINC000100642113 554436001 /nfs/dbraw/zinc/43/60/01/554436001.db2.gz OSPGXWXVZWBCSV-IQZWZXOTSA-N 0 0 541.073 6.267 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc([C@@H](C)CC)cc3)C2=N)S1 ZINC000100642245 554436267 /nfs/dbraw/zinc/43/62/67/554436267.db2.gz PSJQFMSUINANNL-LZTLTHPWSA-N 0 0 555.498 6.450 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000100653365 554437390 /nfs/dbraw/zinc/43/73/90/554437390.db2.gz RAMLXTBQLGDJFH-FYJHPUIUSA-N 0 0 557.470 5.581 50 10 KKCARN COc1ccccc1OCCOc1c(I)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC ZINC000100656774 554437892 /nfs/dbraw/zinc/43/78/92/554437892.db2.gz VTHUPLLYOJSULX-OZFLQLRCSA-N 0 0 620.469 5.041 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000100656702 554437950 /nfs/dbraw/zinc/43/79/50/554437950.db2.gz CLUOYJGLPUMTDS-UVKKUAJPSA-N 0 0 534.682 6.116 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 ZINC000100666675 554440209 /nfs/dbraw/zinc/44/02/09/554440209.db2.gz JDMOUBPQMOMMLV-XLLVEGDNSA-N 0 0 546.571 5.848 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 ZINC000100672961 554442302 /nfs/dbraw/zinc/44/23/02/554442302.db2.gz BVXLKPGLTICKRJ-NFIDDJMPSA-N 0 0 556.644 5.528 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000100710551 554453548 /nfs/dbraw/zinc/45/35/48/554453548.db2.gz BNRFNVJWZWDJKK-HEVMCXDHSA-N 0 0 540.645 5.632 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000100710536 554453594 /nfs/dbraw/zinc/45/35/94/554453594.db2.gz LNLHPNYNQZTDPA-YVYXTAJVSA-N 0 0 540.645 5.713 50 10 KKCARN Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c1 ZINC000100711462 554453600 /nfs/dbraw/zinc/45/36/00/554453600.db2.gz RTBALKPDSZVDKX-ZEAYLUBASA-N 0 0 526.618 5.459 50 10 KKCARN Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 ZINC000100711458 554453621 /nfs/dbraw/zinc/45/36/21/554453621.db2.gz RMCVLBSFAKIYPR-ZEAYLUBASA-N 0 0 526.618 5.459 50 10 KKCARN Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c(C)c1 ZINC000100711467 554453894 /nfs/dbraw/zinc/45/38/94/554453894.db2.gz NPUXNEGJRCCBFG-ZEAYLUBASA-N 0 0 526.618 5.459 50 10 KKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000100727452 554457754 /nfs/dbraw/zinc/45/77/54/554457754.db2.gz BAPQQOQUFUHILI-NFBKMPQASA-N 0 0 530.216 6.168 50 10 KKCARN COc1ccc(OCCOc2c(Br)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 ZINC000100729542 554459326 /nfs/dbraw/zinc/45/93/26/554459326.db2.gz DLVMUCFQKRNKGG-ONQBAZCLSA-N 0 0 606.498 6.228 50 10 KKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000100730814 554459679 /nfs/dbraw/zinc/45/96/79/554459679.db2.gz LRVFUUCGUNDMII-YADARESESA-N 0 0 560.242 6.177 50 10 KKCARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000100730817 554459689 /nfs/dbraw/zinc/45/96/89/554459689.db2.gz LRVFUUCGUNDMII-NTKDMRAZSA-N 0 0 560.242 6.177 50 10 KKCARN Cc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2Cl)cc1 ZINC000100738618 554462135 /nfs/dbraw/zinc/46/21/35/554462135.db2.gz JAKSTPWUAZEPLZ-OKVHAJEISA-N 0 0 543.354 5.941 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)cc1 ZINC000100756085 554467060 /nfs/dbraw/zinc/46/70/60/554467060.db2.gz BWTWDAIKKYFIGN-XWHYSSBWSA-N 0 0 547.790 8.136 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100768025 554470623 /nfs/dbraw/zinc/47/06/23/554470623.db2.gz YWGOMVSVVNAYBP-ZAXJVRRPSA-N 0 0 540.557 5.517 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100799432 554474194 /nfs/dbraw/zinc/47/41/94/554474194.db2.gz HIAQPSPZXKMOIG-TZFALNRWSA-N 0 0 542.126 6.113 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCC(C)C ZINC000100799460 554474199 /nfs/dbraw/zinc/47/41/99/554474199.db2.gz JZNXVCSXQALKCW-PKAZHMFMSA-N 0 0 543.714 7.267 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000100836782 554483741 /nfs/dbraw/zinc/48/37/41/554483741.db2.gz MWTVIMQZPWRVDH-TXUMJUCDSA-N 0 0 567.758 5.415 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C(=O)OCC)cc3)C2=O)SC1=S ZINC000100837143 554484051 /nfs/dbraw/zinc/48/40/51/554484051.db2.gz BQFKAVHFEWMSDC-ZTUOXYGRSA-N 0 0 579.744 5.636 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000100838502 554485941 /nfs/dbraw/zinc/48/59/41/554485941.db2.gz ISHGYVFAEDYINU-USHMODERSA-N 0 0 557.716 7.649 50 10 KKCARN C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)C1 ZINC000100839854 554488047 /nfs/dbraw/zinc/48/80/47/554488047.db2.gz MWAOCMKGPYMGNU-PMRZJRRASA-N 0 0 552.675 6.960 50 10 KKCARN O=C1/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000100840116 554488176 /nfs/dbraw/zinc/48/81/76/554488176.db2.gz NSFPVQXKTWYPQV-FCQUAONHSA-N 0 0 521.019 5.387 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)C1 ZINC000100840433 554488806 /nfs/dbraw/zinc/48/88/06/554488806.db2.gz DARTZLKXTALGJD-KWAZPOIMSA-N 0 0 610.711 6.503 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)c(C)c1 ZINC000100840486 554489082 /nfs/dbraw/zinc/48/90/82/554489082.db2.gz WADARGYOQPKVPV-XSVYLIDLSA-N 0 0 598.772 8.523 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1 ZINC000100840508 554489206 /nfs/dbraw/zinc/48/92/06/554489206.db2.gz STIGGGDTHZNWKA-DXJNIWACSA-N 0 0 608.188 8.482 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100857011 554493771 /nfs/dbraw/zinc/49/37/71/554493771.db2.gz HPQJBWNRMMFHLY-XQNSMLJCSA-N 0 0 557.187 7.993 50 10 KKCARN COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)cc1 ZINC000100871316 554498972 /nfs/dbraw/zinc/49/89/72/554498972.db2.gz WFIXJFLJWYMEEW-VHXPQNKSSA-N 0 0 550.061 5.106 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000100871527 554499645 /nfs/dbraw/zinc/49/96/45/554499645.db2.gz JGGNHRKYHOCIEO-ANYBSYGZSA-N 0 0 569.752 7.171 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)cc1OC ZINC000100871694 554499926 /nfs/dbraw/zinc/49/99/26/554499926.db2.gz ATKFMOOUPUQUJY-DQSJHHFOSA-N 0 0 587.723 5.120 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)SC2=S)cc1OC ZINC000100871837 554499935 /nfs/dbraw/zinc/49/99/35/554499935.db2.gz PCHZBRNSLJBARL-FSGOGVSDSA-N 0 0 599.778 7.035 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S ZINC000100873093 554501941 /nfs/dbraw/zinc/50/19/41/554501941.db2.gz OPQVHWJRGBZLEN-BCDHINTGSA-N 0 0 547.790 7.992 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4cc(Br)ccc4N(Cc4ccccc4)C3=O)SC2=S)cc1 ZINC000100893053 554512709 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CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNCCCCCCNC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000101141370 554653508 /nfs/dbraw/zinc/65/35/08/554653508.db2.gz ZIYFNFFXOULRDT-CZYCKNNWSA-N 0 0 540.712 5.573 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000101144528 554655652 /nfs/dbraw/zinc/65/56/52/554655652.db2.gz VTWQLAKCVZHVRU-RJDQKLELSA-N 0 0 524.671 5.220 50 10 KKCARN N=C1/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN21 ZINC000101150226 554656999 /nfs/dbraw/zinc/65/69/99/554656999.db2.gz HJNPDMCIMAHNMM-LVQKETKISA-N 0 0 546.656 5.474 50 10 KKCARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101156912 554658814 /nfs/dbraw/zinc/65/88/14/554658814.db2.gz QDROOGSYBLGICH-BDTNDASRSA-N 0 0 550.792 5.106 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000101181716 554667291 /nfs/dbraw/zinc/66/72/91/554667291.db2.gz CKKLTSSHNXLBGN-DYIKCSJPSA-N 0 0 546.022 6.665 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000101185854 554669242 /nfs/dbraw/zinc/66/92/42/554669242.db2.gz QISJYVJCFSLULK-DYIKCSJPSA-N 0 0 547.557 6.290 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2F)[C@@H]1C(=O)c1ccccc1 ZINC000101186696 554669409 /nfs/dbraw/zinc/66/94/09/554669409.db2.gz XYBWKYZIKQIYAG-DYIKCSJPSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000101191519 554670853 /nfs/dbraw/zinc/67/08/53/554670853.db2.gz KFJPBPGTLKWBPM-OIFRRMEBSA-N 0 0 546.022 6.665 50 10 KKCARN CCc1cc(C)cc(OCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000101193806 554671461 /nfs/dbraw/zinc/67/14/61/554671461.db2.gz KMSPAQQFQQOQNQ-KWAFVZIISA-N 0 0 534.645 5.654 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101203616 554673702 /nfs/dbraw/zinc/67/37/02/554673702.db2.gz PCFRWOVXSDDJJE-DYIKCSJPSA-N 0 0 529.567 6.151 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000101214047 554680513 /nfs/dbraw/zinc/68/05/13/554680513.db2.gz DSJWGYMWASHEOL-OIFRRMEBSA-N 0 0 531.558 6.590 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1cccc(F)c1)cc3N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101217572 554684861 /nfs/dbraw/zinc/68/48/61/554684861.db2.gz FKEMVMZITNBCMD-UHFFFAOYSA-N 0 0 548.574 5.973 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000101221437 554687124 /nfs/dbraw/zinc/68/71/24/554687124.db2.gz JICDNDNSBCFONL-MJSOWUPRSA-N 0 0 543.594 6.541 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101229697 554689150 /nfs/dbraw/zinc/68/91/50/554689150.db2.gz XFKQAZQMKHVCCR-HZFUHODCSA-N 0 0 539.603 5.892 50 10 KKCARN COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101238619 554692776 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O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000104087427 571373434 /nfs/dbraw/zinc/37/34/34/571373434.db2.gz PYHUVKJWMBMZIF-HPUNYJORSA-N 0 0 527.536 5.400 50 10 KKCARN CN(C)c1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000104784339 571385980 /nfs/dbraw/zinc/38/59/80/571385980.db2.gz ODEJYUFPSLIZTF-XPWALMASSA-N 0 0 588.289 5.082 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000105447419 571404914 /nfs/dbraw/zinc/40/49/14/571404914.db2.gz YQFRWTZVCFSNAW-ZMFRSBBQSA-N 0 0 606.519 7.324 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000105796771 571408931 /nfs/dbraw/zinc/40/89/31/571408931.db2.gz MWWZEEPKRJMQBE-XWHIBYANSA-N 0 0 555.630 6.329 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCCc2ccccc21 ZINC000105965229 571409550 /nfs/dbraw/zinc/40/95/50/571409550.db2.gz LWFQXHUFDCDAJJ-NLRVBDNBSA-N 0 0 530.671 5.849 50 10 KKCARN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S ZINC000105980920 571409824 /nfs/dbraw/zinc/40/98/24/571409824.db2.gz WURWYOFKQFFUNC-NVNXTCNLSA-N 0 0 533.694 6.275 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000106018694 571410528 /nfs/dbraw/zinc/41/05/28/571410528.db2.gz OMDIOWPVCMVWEU-DTXPUJKBSA-N 0 0 563.575 7.330 50 10 KKCARN CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N21 ZINC000106535218 571412931 /nfs/dbraw/zinc/41/29/31/571412931.db2.gz HACUPTYMKASUIM-TWJOJJKGSA-N 0 0 512.403 5.780 50 10 KKCARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)OCC(=O)c1ccc3c(c1)OCO3)C[C@@H](c1ccccc1)CC2 ZINC000113626309 571441520 /nfs/dbraw/zinc/44/15/20/571441520.db2.gz VKYFEPCVGBSEEY-IBGZPJMESA-N 0 0 563.628 5.071 50 10 KKCARN CCOC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000113628053 571441645 /nfs/dbraw/zinc/44/16/45/571441645.db2.gz 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571462782 /nfs/dbraw/zinc/46/27/82/571462782.db2.gz XNYDHRBGQMSWOQ-PKAZHMFMSA-N 0 0 659.611 7.591 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150367083 571464958 /nfs/dbraw/zinc/46/49/58/571464958.db2.gz QFELPMNMGFNUIB-ZBVAGJKESA-N 0 0 726.693 6.715 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccc(I)cc1 ZINC000150385155 571468646 /nfs/dbraw/zinc/46/86/46/571468646.db2.gz VKZQBVWTQLJTLX-VCHYOVAHSA-N 0 0 613.252 6.628 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCC ZINC000150385314 571468766 /nfs/dbraw/zinc/46/87/66/571468766.db2.gz AMNILFACNMOCGM-RQZCQDPDSA-N 0 0 624.747 6.910 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000150386690 571469457 /nfs/dbraw/zinc/46/94/57/571469457.db2.gz BKRVQIIHAFWDFT-VJGNERBWSA-N 0 0 628.862 6.590 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3ccccc3N(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000150386646 571469475 /nfs/dbraw/zinc/46/94/75/571469475.db2.gz CSPFJAWYTGIUMF-MKCFTUBBSA-N 0 0 626.781 6.558 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000150390658 571472911 /nfs/dbraw/zinc/47/29/11/571472911.db2.gz BLQKANAPXGNDRR-NSKAYECMSA-N 0 0 685.706 7.028 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)c(Br)c3)SC2=S)cc1 ZINC000150391830 571474032 /nfs/dbraw/zinc/47/40/32/571474032.db2.gz QHJSZGNMJBETST-YDZHTSKRSA-N 0 0 652.373 7.043 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1OC ZINC000150399585 571477644 /nfs/dbraw/zinc/47/76/44/571477644.db2.gz AMGFUDRGNHXBDP-HWIUFGAZSA-N 0 0 651.785 7.719 50 10 KKCARN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)cc(Br)c1OCc1ccccc1 ZINC000150401717 571478383 /nfs/dbraw/zinc/47/83/83/571478383.db2.gz VOVFOSYLDRMSKM-UHFFFAOYSA-N 0 0 697.604 5.505 50 10 KKCARN CC(=O)Oc1c(Br)cc(C2=NN(C(C)=O)[C@@H](/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)O2)c(OC(C)=O)c1Br ZINC000150426473 571490728 /nfs/dbraw/zinc/49/07/28/571490728.db2.gz APGXEAHYFSEMLT-MTXGHEBJSA-N 0 0 728.394 5.466 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150434413 571494926 /nfs/dbraw/zinc/49/49/26/571494926.db2.gz SLXXJNBWQGPXAU-FWKRNHIBSA-N 0 0 668.613 5.926 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150440406 571498016 /nfs/dbraw/zinc/49/80/16/571498016.db2.gz HKAYRHDTCPBZNS-QZLAVKMBSA-N 0 0 674.222 7.158 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000150440340 571498041 /nfs/dbraw/zinc/49/80/41/571498041.db2.gz JDJMXJVRWYIHFW-SSBOKUKZSA-N 0 0 629.337 8.072 50 10 KKCARN Cc1ccc([C@H]2N(c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000150460050 571505857 /nfs/dbraw/zinc/50/58/57/571505857.db2.gz LSACYRKQZZPVBA-SZAHLOSFSA-N 0 0 655.672 8.551 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000150474626 571510532 /nfs/dbraw/zinc/51/05/32/571510532.db2.gz OHXIRTHIALLAMP-UHFFFAOYSA-N 0 0 634.585 8.943 50 10 KKCARN CCCCCCC(=O)Nc1ccc(OC(=O)CCCCCC)c2c1C(=O)c1c(NC(=O)CCCCCC)ccc(OC(=O)CCCCCC)c1C2=O ZINC000150486747 571516595 /nfs/dbraw/zinc/51/65/95/571516595.db2.gz KGMATNSSPDNVDT-UHFFFAOYSA-N 0 0 718.932 10.031 50 10 KKCARN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000150489949 571516999 /nfs/dbraw/zinc/51/69/99/571516999.db2.gz DUWLVEONYIDOQD-UHFFFAOYSA-N 0 0 653.153 5.396 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000150507621 571519326 /nfs/dbraw/zinc/51/93/26/571519326.db2.gz AOUKXHBVXGKMMN-UHFFFAOYSA-N 0 0 632.651 7.440 50 10 KKCARN CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000150508986 571519703 /nfs/dbraw/zinc/51/97/03/571519703.db2.gz YWZTVNUOAAKHHB-PMERELPUSA-N 0 0 647.533 7.621 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000150560872 571521166 /nfs/dbraw/zinc/52/11/66/571521166.db2.gz PAFUICNONHPJFK-MXAYSNPKSA-N 0 0 675.851 9.012 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cccc(OC)c3N(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000150634521 571524186 /nfs/dbraw/zinc/52/41/86/571524186.db2.gz JMQVHIVOJZROQY-INKHBPHZSA-N 0 0 656.807 6.567 50 10 KKCARN O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4ccc(Br)cc4)S3)CC2)S/C1=C\c1ccc(Br)cc1 ZINC000150636067 571524286 /nfs/dbraw/zinc/52/42/86/571524286.db2.gz VUFLWCXAMVVISD-AXPXABNXSA-N 0 0 618.376 5.470 50 10 KKCARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000150653454 571526104 /nfs/dbraw/zinc/52/61/04/571526104.db2.gz CMTXEUUXCRLNOL-YIXWLNNWSA-N 0 0 672.823 5.047 50 10 biogenic KKCARN CN(C)c1ccc(/C=C2/N=C(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)N(c3ccccc3)C2=O)cc1 ZINC000215730941 571585484 /nfs/dbraw/zinc/58/54/84/571585484.db2.gz TXRIHYYTEQKIBR-XQNSMLJCSA-N 0 0 540.567 5.767 50 10 KKCARN Nc1c2ccc(-c3ccc(Cl)c(Cl)c3)nc2sc1C(=O)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215745632 571585899 /nfs/dbraw/zinc/58/58/99/571585899.db2.gz RXMOECBRNJYQFG-UHFFFAOYSA-N 0 0 541.460 6.706 50 10 KKCARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000217664990 571602298 /nfs/dbraw/zinc/60/22/98/571602298.db2.gz TUSBNAZTENHWPG-QLCOJLISSA-N 0 0 568.095 5.164 50 10 KKCARN Cc1cc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)ccc1Cl ZINC000222225517 571604918 /nfs/dbraw/zinc/60/49/18/571604918.db2.gz GDXJUTXJDULEIE-VSKRKVRLSA-N 0 0 550.792 5.106 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000227023198 572147713 /nfs/dbraw/zinc/14/77/13/572147713.db2.gz GJWTUGIMSGYUAX-QKDODKLFSA-N 0 0 556.470 7.371 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000227066734 572149129 /nfs/dbraw/zinc/14/91/29/572149129.db2.gz GLPAZNJHLYOPHG-DTXPUJKBSA-N 0 0 580.467 7.318 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000227083595 572149545 /nfs/dbraw/zinc/14/95/45/572149545.db2.gz HWKXPYBDTBUUTF-AWCRTANDSA-N 0 0 568.431 7.449 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000227083995 572149777 /nfs/dbraw/zinc/14/97/77/572149777.db2.gz ZWAAKBJIFINYEA-DTXPUJKBSA-N 0 0 592.464 7.213 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 ZINC000227232037 572150863 /nfs/dbraw/zinc/15/08/63/572150863.db2.gz OMDIOWPVCMVWEU-JBOQNHBVSA-N 0 0 563.575 7.330 50 10 KKCARN CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000227232507 572151092 /nfs/dbraw/zinc/15/10/92/572151092.db2.gz VOTPFNDFFDWDFZ-VJGNERBWSA-N 0 0 555.428 5.430 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000227234815 572151682 /nfs/dbraw/zinc/15/16/82/572151682.db2.gz JOQOPTGQLOFDFJ-ATNBEAFSSA-N 0 0 557.577 6.067 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000227235990 572151829 /nfs/dbraw/zinc/15/18/29/572151829.db2.gz WBMKCXXNTCHXOJ-JBOQNHBVSA-N 0 0 564.468 7.618 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000227240157 572152294 /nfs/dbraw/zinc/15/22/94/572152294.db2.gz BHEOWBWDVLMDJY-AWCRTANDSA-N 0 0 560.447 6.765 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227246684 572152751 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COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000229865999 572162306 /nfs/dbraw/zinc/16/23/06/572162306.db2.gz PQRJZFYVDSNPFA-YPKYBTACSA-N 0 0 576.048 6.674 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229869045 572163262 /nfs/dbraw/zinc/16/32/62/572163262.db2.gz QGQCFFPTCXCUKG-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229871680 572163811 /nfs/dbraw/zinc/16/38/11/572163811.db2.gz SZNRUMYDPKRDJJ-KCHLEUMXSA-N 0 0 576.996 5.809 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000229894070 572166074 /nfs/dbraw/zinc/16/60/74/572166074.db2.gz BGTQGMOKLKZHLT-DTXPUJKBSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229895698 572166630 /nfs/dbraw/zinc/16/66/30/572166630.db2.gz FEAKJRLNMOIUML-BMPTZRATSA-N 0 0 597.711 7.219 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229910742 572168511 /nfs/dbraw/zinc/16/85/11/572168511.db2.gz OANGWAPUYGARBC-JBOQNHBVSA-N 0 0 540.575 6.220 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229909697 572168523 /nfs/dbraw/zinc/16/85/23/572168523.db2.gz KTGBCVVFEIEYEJ-YPKYBTACSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229917169 572168929 /nfs/dbraw/zinc/16/89/29/572168929.db2.gz IVVRMERCLGCKNC-OJDZSJEKSA-N 0 0 555.630 6.329 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229921398 572169637 /nfs/dbraw/zinc/16/96/37/572169637.db2.gz SVXFRJIUMYZNLH-OJDZSJEKSA-N 0 0 578.039 7.194 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229922098 572169727 /nfs/dbraw/zinc/16/97/27/572169727.db2.gz GMCMRZAATVOCBV-QAXCHELISA-N 0 0 573.620 6.468 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229924173 572170220 /nfs/dbraw/zinc/17/02/20/572170220.db2.gz OQSQTQWZVGEJLS-DSPMFFIESA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229926153 572170421 /nfs/dbraw/zinc/17/04/21/572170421.db2.gz YNGCDUIEZYSJGY-RWSKJCERSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229933248 572171320 /nfs/dbraw/zinc/17/13/20/572171320.db2.gz OXHCSCDRLLXRHH-RWSKJCERSA-N 0 0 594.038 6.813 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229939705 572171819 /nfs/dbraw/zinc/17/18/19/572171819.db2.gz WLJXMGCCAKOXMH-JBOQNHBVSA-N 0 0 590.473 6.774 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229943117 572172611 /nfs/dbraw/zinc/17/26/11/572172611.db2.gz VBXPNNKFEVZBLA-WIHCDAFUSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229947608 572172943 /nfs/dbraw/zinc/17/29/43/572172943.db2.gz MWWZEEPKRJMQBE-QAXCHELISA-N 0 0 555.630 6.329 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229946904 572173066 /nfs/dbraw/zinc/17/30/66/572173066.db2.gz IGJPGVNAHHPVOF-YPKYBTACSA-N 0 0 570.601 6.310 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229951675 572173340 /nfs/dbraw/zinc/17/33/40/572173340.db2.gz QMYVORMYUDWLMK-YPKYBTACSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229952013 572173352 /nfs/dbraw/zinc/17/33/52/572173352.db2.gz KOOKTAXLQWADJT-XFQWPLCWSA-N 0 0 597.711 7.219 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229960062 572174020 /nfs/dbraw/zinc/17/40/20/572174020.db2.gz BQTIQHYWWSOKNY-OJDZSJEKSA-N 0 0 571.629 6.029 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000230008409 572178320 /nfs/dbraw/zinc/17/83/20/572178320.db2.gz UKCWSWHQUOFYDN-BEJSXWRTSA-N 0 0 592.651 6.568 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000230202022 572185384 /nfs/dbraw/zinc/18/53/84/572185384.db2.gz UPFZDOJKJMNKIF-UPRLRBBYSA-N 0 0 539.603 5.892 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000230199459 572185406 /nfs/dbraw/zinc/18/54/06/572185406.db2.gz UFTJURKTMUZHBR-ZGIBFIJWSA-N 0 0 547.632 6.082 50 10 KKCARN Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000238950210 572189722 /nfs/dbraw/zinc/18/97/22/572189722.db2.gz XCYVILKUOIUPNR-OAQYLSRUSA-N 0 0 520.873 6.823 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000247316539 572241211 /nfs/dbraw/zinc/24/12/11/572241211.db2.gz KJDIAXSQYAPYKT-YCVJPRETSA-N 0 0 561.981 6.053 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000248176678 572256265 /nfs/dbraw/zinc/25/62/65/572256265.db2.gz AUHGQKPLZNHFDY-XQKNLLDYSA-N 0 0 577.036 6.162 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccc(OC)cc5)C[C@H]43)C2=O)cc1 ZINC000248241058 572256876 /nfs/dbraw/zinc/25/68/76/572256876.db2.gz BOYLKBBYEPNYBG-QCENPCRXSA-N 0 0 592.618 5.551 50 10 KKCARN CC1=CC(=NN=c2[nH]c3ccc(-c4ccc5[nH]c(=NN=C6C=C(C)C=CC6=O)sc5c4)cc3s2)C(=O)C=C1 ZINC000252618875 572269135 /nfs/dbraw/zinc/26/91/35/572269135.db2.gz LKMMZYRNKOYGLW-UHFFFAOYSA-N 0 0 536.642 9.432 50 10 KKCARN CCn1c(=O)c(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)sc1=C1SC(=S)N(Cc2ccccc2)C1=O ZINC000252637845 572272094 /nfs/dbraw/zinc/27/20/94/572272094.db2.gz XXJPGPJLZPYZIH-VUPQOBLWSA-N 0 0 623.869 6.248 50 10 KKCARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(N(CC)CC)cc3OC)sc2=N1 ZINC000252666401 572273089 /nfs/dbraw/zinc/27/30/89/572273089.db2.gz BJMQZRQIPNDTAH-JGCGQSQUSA-N 0 0 613.780 5.595 50 10 KKCARN Cc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000252669555 572275131 /nfs/dbraw/zinc/27/51/31/572275131.db2.gz HWLUOIBTFSRMOJ-WJOKGBTCSA-N 0 0 627.007 7.142 50 10 KKCARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000252672304 572277712 /nfs/dbraw/zinc/27/77/12/572277712.db2.gz 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CCN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778021 553143346 /nfs/dbraw/zinc/14/33/46/553143346.db2.gz ZIIBLICNYOHDME-OOAXWGSJSA-N 0 0 606.144 5.692 50 10 KKCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778154 553144031 /nfs/dbraw/zinc/14/40/31/553144031.db2.gz RUUHQVAFDRLQEK-QXPFVDMISA-N 0 0 613.736 5.823 50 10 KKCARN Cc1c(Cl)cc(C(C)C)c(O)c1CNC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000008816519 553151807 /nfs/dbraw/zinc/15/18/07/553151807.db2.gz GYQCSQQMUCWTRS-UHFFFAOYSA-N 0 0 509.075 5.758 50 10 KKCARN CC[C@@H](C)C(=O)N1c2c(C)cc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000008838017 553164716 /nfs/dbraw/zinc/16/47/16/553164716.db2.gz XUPXWWRLLLFXDM-CYBMUJFWSA-N 0 0 519.710 5.551 50 10 KKCARN Cc1c(C(=O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000008857310 553167980 /nfs/dbraw/zinc/16/79/80/553167980.db2.gz NGRNXYPLEIMZGB-UHFFFAOYSA-N 0 0 509.855 6.273 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000008872169 553172449 /nfs/dbraw/zinc/17/24/49/553172449.db2.gz ULDCIKFKHSSZMP-CPNJWEJPSA-N 0 0 517.368 7.941 50 10 KKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000008872173 553172470 /nfs/dbraw/zinc/17/24/70/553172470.db2.gz SYIWLYJJPHXBME-NCELDCMTSA-N 0 0 534.442 9.392 50 10 KKCARN O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000008872177 553172511 /nfs/dbraw/zinc/17/25/11/553172511.db2.gz DWIVLIOSNCZLEK-FCDQGJHFSA-N 0 0 549.457 9.468 50 10 KKCARN CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000008872147 553172527 /nfs/dbraw/zinc/17/25/27/553172527.db2.gz AVMYWTDQXKHVGN-OQKWZONESA-N 0 0 514.452 9.022 50 10 KKCARN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000008872174 553172543 /nfs/dbraw/zinc/17/25/43/553172543.db2.gz BHSTVWDQTKPDSF-CAPFRKAQSA-N 0 0 501.413 7.791 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000008872180 553172630 /nfs/dbraw/zinc/17/26/30/553172630.db2.gz CHLGLSURXNGBQU-HMMYKYKNSA-N 0 0 547.246 7.943 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000008872221 553172665 /nfs/dbraw/zinc/17/26/65/553172665.db2.gz PQQMNLRSFXXOSX-LDADJPATSA-N 0 0 511.213 6.692 50 10 KKCARN COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)ccc1Cl ZINC000008872192 553172687 /nfs/dbraw/zinc/17/26/87/553172687.db2.gz KLIUKOGMUCZEAH-HMMYKYKNSA-N 0 0 560.831 7.620 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1C ZINC000008916088 553186584 /nfs/dbraw/zinc/18/65/84/553186584.db2.gz BMNLFJDFZUEGNL-XDHOZWIPSA-N 0 0 508.459 5.363 50 10 KKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000008918556 553188528 /nfs/dbraw/zinc/18/85/28/553188528.db2.gz PUPFZYBRXNAWID-NKLKELLJSA-N 0 0 510.678 6.665 50 10 biogenic KKCARN CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000008919800 553188903 /nfs/dbraw/zinc/18/89/03/553188903.db2.gz FEAXNSHIWNABST-IBWUZQOLSA-N 0 0 516.545 5.623 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008934331 553192633 /nfs/dbraw/zinc/19/26/33/553192633.db2.gz FKIUYWXMPKKALJ-KGENOOAVSA-N 0 0 508.024 5.804 50 10 KKCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)S3)CC2)c1 ZINC000008997595 553197898 /nfs/dbraw/zinc/19/78/98/553197898.db2.gz XIVKRLXORZYADH-NLRVBDNBSA-N 0 0 514.607 5.275 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4cc(C)ccc4C(C)C)c4ccccc34)C2=N)S1 ZINC000009007917 553198381 /nfs/dbraw/zinc/19/83/81/553198381.db2.gz YLJFUASSCTVUTM-PWDQIPGLSA-N 0 0 513.667 6.571 50 10 KKCARN Cc1ccc(C2=NN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000009046032 553203509 /nfs/dbraw/zinc/20/35/09/553203509.db2.gz RWSBMTJNRSBJJO-SSEXGKCCSA-N 0 0 518.064 7.680 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000009045944 553203574 /nfs/dbraw/zinc/20/35/74/553203574.db2.gz DCFGUDRDHZKMQX-UZDYXXGDSA-N 0 0 518.517 5.033 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000009065049 553205694 /nfs/dbraw/zinc/20/56/94/553205694.db2.gz HHXMNUNASPUPGJ-XQWBAOJFSA-N 0 0 527.046 5.843 50 10 KKCARN Cc1ccc(Nc2cc3c(nnn3-c3cccc(Br)c3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000009065224 553205704 /nfs/dbraw/zinc/20/57/04/553205704.db2.gz DPLFMDSBNRDAJJ-UHFFFAOYSA-N 0 0 509.363 6.010 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000009159399 553215314 /nfs/dbraw/zinc/21/53/14/553215314.db2.gz SELMNQSZERHYTJ-IAWHSNBSSA-N 0 0 506.591 5.091 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000009161448 553215676 /nfs/dbraw/zinc/21/56/76/553215676.db2.gz MQJSVBGZNBGZAC-WLVCJLKNSA-N 0 0 524.650 5.269 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009187048 553217817 /nfs/dbraw/zinc/21/78/17/553217817.db2.gz SROWWWYRFYKLBP-ZVHZXABRSA-N 0 0 506.605 6.205 50 10 KKCARN Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000009209719 553220490 /nfs/dbraw/zinc/22/04/90/553220490.db2.gz UKJOGUMFNYYTJT-PSKBPPSXSA-N 0 0 524.650 5.020 50 10 KKCARN CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000009243035 553226570 /nfs/dbraw/zinc/22/65/70/553226570.db2.gz WWLMJAUURDPGGH-GSDHBNRESA-N 0 0 502.397 6.324 50 10 KKCARN CC[C@H](C)C(=O)N1c2cc(C)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000009280137 553232786 /nfs/dbraw/zinc/23/27/86/553232786.db2.gz TXAXPNKIHIXHAH-ZDUSSCGKSA-N 0 0 505.683 5.242 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000009281526 553233422 /nfs/dbraw/zinc/23/34/22/553233422.db2.gz ZFQOUVQZDTWNRZ-IUAQSZDVSA-N 0 0 500.529 5.631 50 10 KKCARN CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000009281481 553233492 /nfs/dbraw/zinc/23/34/92/553233492.db2.gz OFFYKMPANUNMRI-XLNRJJMWSA-N 0 0 506.697 5.073 50 10 KKCARN COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1Cl ZINC000009291122 553234680 /nfs/dbraw/zinc/23/46/80/553234680.db2.gz IFTIGSTYXAGGPP-ZDNISJIOSA-N 0 0 500.024 5.430 50 10 KKCARN CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@@H](C(C)=O)[C@H](c2ccc(Cl)cc2)C12C(=O)c1ccccc1C2=O ZINC000009307819 553237142 /nfs/dbraw/zinc/23/71/42/553237142.db2.gz NLHCVMVLPUXLBR-QKDODKLFSA-N 0 0 510.977 5.321 50 10 KKCARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1 ZINC000009311299 553239449 /nfs/dbraw/zinc/23/94/49/553239449.db2.gz IVKPOFWTVDRHLB-PXLXIMEGSA-N 0 0 500.381 7.927 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000009348558 553244831 /nfs/dbraw/zinc/24/48/31/553244831.db2.gz WYOJUFJTCKOJDU-RXTDZXRGSA-N 0 0 517.628 5.724 50 10 KKCARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000009368053 553249431 /nfs/dbraw/zinc/24/94/31/553249431.db2.gz HGZXKYXVLCVKOY-UHFFFAOYSA-N 0 0 518.635 5.017 50 10 KKCARN COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009407137 553256570 /nfs/dbraw/zinc/25/65/70/553256570.db2.gz SJLRDOPNFMQXTK-KAYWLYCHSA-N 0 0 503.668 5.042 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S ZINC000009424234 553258536 /nfs/dbraw/zinc/25/85/36/553258536.db2.gz IZUQQPHNELCRLI-HUBZVCNYSA-N 0 0 519.736 7.356 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOc1cc(C)cc(C)c1 ZINC000009425504 553259493 /nfs/dbraw/zinc/25/94/93/553259493.db2.gz KNSGPGFCEWRCFG-KOEQRZSOSA-N 0 0 505.412 6.330 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009429502 553260760 /nfs/dbraw/zinc/26/07/60/553260760.db2.gz ZWANRUNQNZCUPJ-SSBOKUKZSA-N 0 0 515.996 6.656 50 10 KKCARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000009461072 553267298 /nfs/dbraw/zinc/26/72/98/553267298.db2.gz WDLZXWNVRIDMOO-JRWMAURKSA-N 0 0 518.708 6.121 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCOC(C)C)nc12 ZINC000009462888 553268483 /nfs/dbraw/zinc/26/84/83/553268483.db2.gz PSVNIMOTWCDVCQ-OSEFQUDUSA-N 0 0 522.696 5.192 50 10 KKCARN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)cc1 ZINC000009463158 553268922 /nfs/dbraw/zinc/26/89/22/553268922.db2.gz YJBSAIYWUQUNKD-HGMBWOCJSA-N 0 0 501.637 5.613 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OCc5cccc6ccccc65)cc4)C3=N)S2)cc1 ZINC000009553589 553278515 /nfs/dbraw/zinc/27/85/15/553278515.db2.gz LRWNNZFHPNJYDQ-KPAGZEEBSA-N 0 0 502.599 6.395 50 10 KKCARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1OC)N(C(C)=O)c1ccccc1-2 ZINC000009601888 553287219 /nfs/dbraw/zinc/28/72/19/553287219.db2.gz WQZAKFZNEIBCNN-SANMLTNESA-N 0 0 507.660 5.730 50 10 KKCARN CCOCCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000009612350 553289648 /nfs/dbraw/zinc/28/96/48/553289648.db2.gz KGXYEKXTNFNAMM-UHFFFAOYSA-N 0 0 500.574 5.343 50 10 KKCARN O=C1/C(=C/c2ccc(OCCOc3ccc(Br)cc3)cc2)SC(=S)N1c1ccccc1 ZINC000009762091 553303038 /nfs/dbraw/zinc/30/30/38/553303038.db2.gz UGJXZOMRTXMSDU-JWGURIENSA-N 0 0 512.450 6.313 50 10 KKCARN CCC(CC)C(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000009968847 553321704 /nfs/dbraw/zinc/32/17/04/553321704.db2.gz BYFNQTAQUNLODV-UHFFFAOYSA-N 0 0 519.710 5.633 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1cc(C)cc(C)c1 ZINC000009969749 553322283 /nfs/dbraw/zinc/32/22/83/553322283.db2.gz PADBSHSQUZJMSX-OVVQPSECSA-N 0 0 519.688 6.561 50 10 KKCARN CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000011852925 553346071 /nfs/dbraw/zinc/34/60/71/553346071.db2.gz WOYZNGYNHHDYNV-PXLXIMEGSA-N 0 0 542.151 6.570 50 10 KKCARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccc1C(F)(F)F ZINC000011866661 553346986 /nfs/dbraw/zinc/34/69/86/553346986.db2.gz CYJZBYWYCNXOIE-OQLLNIDSSA-N 0 0 501.349 5.308 50 10 KKCARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NN=C2C=C(C(C)(C)C)C=C(Br)C2=O)cc1 ZINC000012284793 553356337 /nfs/dbraw/zinc/35/63/37/553356337.db2.gz KHIDQBVVUVMPFV-CYYJNZCTSA-N 0 0 516.461 6.688 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000012285370 553356605 /nfs/dbraw/zinc/35/66/05/553356605.db2.gz RRUNLOWIRWIFQL-LECIVKJOSA-N 0 0 513.417 5.456 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)C2=N)S1 ZINC000012285341 553356607 /nfs/dbraw/zinc/35/66/07/553356607.db2.gz GDEDJJLDVKOQBV-NZAISQPBSA-N 0 0 506.628 5.661 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc2ccccc21 ZINC000012363173 553359486 /nfs/dbraw/zinc/35/94/86/553359486.db2.gz KIPJWNYRWHHADN-HAVVHWLPSA-N 0 0 508.404 8.878 50 10 KKCARN Cc1ccc(C(=O)CC(=CC(=C2SC(N3CCOCC3)=NC2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000012367644 553359719 /nfs/dbraw/zinc/35/97/19/553359719.db2.gz GCIUKNWBGIQOCY-FYGWAMLMSA-N 0 0 522.670 6.333 50 10 KKCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2c3ccccc3Sc3ccccc32)C1=O ZINC000012371708 553360524 /nfs/dbraw/zinc/36/05/24/553360524.db2.gz CZLDMFBPAUZPQW-KQWNVCNZSA-N 0 0 504.658 6.116 50 10 KKCARN FC(F)(F)c1cccc(-c2ccc(-c3nc4ccc(Cl)cn4c3Nc3ccc4c(c3)OCCO4)o2)c1 ZINC000012428690 553366075 /nfs/dbraw/zinc/36/60/75/553366075.db2.gz VYVHWKPFBLZJAX-UHFFFAOYSA-N 0 0 511.887 7.448 50 10 KKCARN COc1ccc(C2=C(C=C3SC(=S)NC3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000012436607 553366202 /nfs/dbraw/zinc/36/62/02/553366202.db2.gz TUBMCWFINYNDCB-JIOFHBDDSA-N 0 0 501.629 5.980 50 10 KKCARN CCOc1ccc(-n2c(C)cc(C=C(c3nc4ccccc4s3)c3nc4ccccc4s3)c2C)cc1 ZINC000012559180 553393909 /nfs/dbraw/zinc/39/39/09/553393909.db2.gz VIIAKQVFGFAVNN-UHFFFAOYSA-N 0 0 507.684 8.301 50 10 KKCARN Cc1cc(C(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000012560092 553394167 /nfs/dbraw/zinc/39/41/67/553394167.db2.gz SYBYWVLBZYHDIE-UHFFFAOYSA-N 0 0 512.748 8.351 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1OC(C)C ZINC000012615047 553402583 /nfs/dbraw/zinc/40/25/83/553402583.db2.gz CWUFAKJSUJIGFP-IWVHASBQSA-N 0 0 516.667 5.714 50 10 KKCARN COc1cccc(C(=O)OCc2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000012953616 553429145 /nfs/dbraw/zinc/42/91/45/553429145.db2.gz WTBMXKLIMQWYPL-UHFFFAOYSA-N 0 0 543.563 6.241 50 10 KKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3)n2n1 ZINC000012955307 553429390 /nfs/dbraw/zinc/42/93/90/553429390.db2.gz SOAQEPUVZKCUST-UHFFFAOYSA-N 0 0 545.089 7.019 50 10 KKCARN O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl ZINC000012959240 553430339 /nfs/dbraw/zinc/43/03/39/553430339.db2.gz OKSDGCFFCZVDRE-SRZZPIQSSA-N 0 0 551.860 7.540 50 10 KKCARN CCCCC1([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000013467609 553459672 /nfs/dbraw/zinc/45/96/72/553459672.db2.gz 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500.396 5.505 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000013785816 553490642 /nfs/dbraw/zinc/49/06/42/553490642.db2.gz DUQVVXNAAOZMMC-MWXWASHKSA-N 0 0 511.603 5.847 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000013799551 553491033 /nfs/dbraw/zinc/49/10/33/553491033.db2.gz LOTIVPIHDFXMIG-JCMHNJIXSA-N 0 0 509.077 6.761 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000013801632 553491332 /nfs/dbraw/zinc/49/13/32/553491332.db2.gz VIVNDVSAVGUXIN-XHPQRKPJSA-N 0 0 519.736 7.356 50 10 KKCARN CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O ZINC000013807337 553491994 /nfs/dbraw/zinc/49/19/94/553491994.db2.gz PDWXUNXWYDSHQV-JWGURIENSA-N 0 0 522.696 5.039 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013809729 553492001 /nfs/dbraw/zinc/49/20/01/553492001.db2.gz AOYFLWFRRIKVGT-DDUYRBGFSA-N 0 0 516.022 6.622 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000013809795 553492064 /nfs/dbraw/zinc/49/20/64/553492064.db2.gz YUXKHSOWYOXPSB-NDENLUEZSA-N 0 0 514.097 5.926 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 ZINC000013892895 553494216 /nfs/dbraw/zinc/49/42/16/553494216.db2.gz QSHYOVGQNWEXKU-LHLOQNFPSA-N 0 0 521.660 5.966 50 10 KKCARN O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000013895976 553494772 /nfs/dbraw/zinc/49/47/72/553494772.db2.gz NSHWFVOKKUIMEM-JCMHNJIXSA-N 0 0 518.498 6.443 50 10 KKCARN CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000013915485 553495544 /nfs/dbraw/zinc/49/55/44/553495544.db2.gz NHQMOIXBBPTERZ-HZHRSRAPSA-N 0 0 504.384 5.581 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000013940216 553496171 /nfs/dbraw/zinc/49/61/71/553496171.db2.gz LEDFVUHBIIVUEF-WTPQPOPRSA-N 0 0 506.628 5.435 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000013940166 553496182 /nfs/dbraw/zinc/49/61/82/553496182.db2.gz WPNQLRXTJUJQFG-PXLHENEQSA-N 0 0 512.591 5.533 50 10 KKCARN Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000013942388 553496626 /nfs/dbraw/zinc/49/66/26/553496626.db2.gz JPTXVIWBDHGADF-JLPGSUDCSA-N 0 0 510.080 6.816 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000013941775 553496694 /nfs/dbraw/zinc/49/66/94/553496694.db2.gz YOUCBAMFTZFXHF-KQWNVCNZSA-N 0 0 508.577 5.467 50 10 KKCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2)c1 ZINC000013942520 553496880 /nfs/dbraw/zinc/49/68/80/553496880.db2.gz OVFULYNGHZNZKH-XAUISYEUSA-N 0 0 512.591 5.129 50 10 KKCARN N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000013942693 553496886 /nfs/dbraw/zinc/49/68/86/553496886.db2.gz OLKPCFWJDONWGT-PKJHAWMFSA-N 0 0 502.043 6.542 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000013942738 553496887 /nfs/dbraw/zinc/49/68/87/553496887.db2.gz GSFHYGIIKZRMTO-AJUVRHARSA-N 0 0 516.022 6.622 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000013943767 553497004 /nfs/dbraw/zinc/49/70/04/553497004.db2.gz BIDNRBGBJZOKBC-JKBIIYLGSA-N 0 0 520.655 5.870 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000013943575 553497015 /nfs/dbraw/zinc/49/70/15/553497015.db2.gz DCFGUDRDHZKMQX-GWANMFGPSA-N 0 0 518.517 5.033 50 10 KKCARN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000015226165 553529286 /nfs/dbraw/zinc/52/92/86/553529286.db2.gz LWEUAJYNHISJGU-WZOHSFFVSA-N 0 0 511.441 6.085 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOCCOc4ccc(C)c(C)c4)cc3)C2=N)S1 ZINC000015240746 553530242 /nfs/dbraw/zinc/53/02/42/553530242.db2.gz IVPFXAVMXZMZIJ-WLKIOIGBSA-N 0 0 506.628 5.197 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000015240753 553530279 /nfs/dbraw/zinc/53/02/79/553530279.db2.gz COQZYRBNURVYPY-URDSPAQOSA-N 0 0 513.019 5.390 50 10 KKCARN CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015946326 553544407 /nfs/dbraw/zinc/54/44/07/553544407.db2.gz AATCCSJFDMHGLJ-MRXNPFEDSA-N 0 0 501.244 5.174 50 10 KKCARN COc1cc(Br)c(Br)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000015947799 553545600 /nfs/dbraw/zinc/54/56/00/553545600.db2.gz YAHYYIUVWKJVFM-QZTNRIJFSA-N 0 0 502.228 5.541 50 10 KKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000015980618 553548641 /nfs/dbraw/zinc/54/86/41/553548641.db2.gz MVRFBSMPQIIRLZ-CQSZACIVSA-N 0 0 506.342 5.502 50 10 KKCARN Cc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016001359 553549921 /nfs/dbraw/zinc/54/99/21/553549921.db2.gz SRVVVALPRGEYOQ-OYUWMTPXSA-N 0 0 510.033 6.697 50 10 KKCARN O=C(c1ccccc1F)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016000513 553549951 /nfs/dbraw/zinc/54/99/51/553549951.db2.gz CAMUVCRWZSEJOF-YTCPBCGMSA-N 0 0 517.531 6.281 50 10 KKCARN O=C(c1ccccc1F)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016001960 553550105 /nfs/dbraw/zinc/55/01/05/553550105.db2.gz LAGLULYXSSDMBE-YTCPBCGMSA-N 0 0 517.531 6.281 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000016007521 553550232 /nfs/dbraw/zinc/55/02/32/553550232.db2.gz RMFNDXKXJHGKTF-AWCRTANDSA-N 0 0 514.556 5.845 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016007583 553550244 /nfs/dbraw/zinc/55/02/44/553550244.db2.gz BVSANMKORWGNLV-NXCFDTQHSA-N 0 0 513.996 6.528 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3c(ccc4cccnc43)C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000016010324 553550648 /nfs/dbraw/zinc/55/06/48/553550648.db2.gz PADBCLIUPRFJSW-YCVJPRETSA-N 0 0 514.581 5.656 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000016038407 553552568 /nfs/dbraw/zinc/55/25/68/553552568.db2.gz XVZXTQADKLGPSK-KKUQBAQOSA-N 0 0 506.558 5.643 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016039498 553552861 /nfs/dbraw/zinc/55/28/61/553552861.db2.gz GXUFLEKBUAERLH-OIFRRMEBSA-N 0 0 511.577 6.012 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)n2-c2cccc(OC)c2)cc1 ZINC000016532051 553567299 /nfs/dbraw/zinc/56/72/99/553567299.db2.gz FURBAIHYXFMUEL-UHFFFAOYSA-N 0 0 511.622 5.441 50 10 KKCARN CCc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)c3C)CC2)cc1 ZINC000016567425 553567752 /nfs/dbraw/zinc/56/77/52/553567752.db2.gz XBUXJILERKSURZ-UHFFFAOYSA-N 0 0 512.053 6.267 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000016699680 553574090 /nfs/dbraw/zinc/57/40/90/553574090.db2.gz GNYLEDKQQWTARR-ITYLOYPMSA-N 0 0 511.672 7.042 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 ZINC000016701050 553574712 /nfs/dbraw/zinc/57/47/12/553574712.db2.gz YTFRLKPBNPWQQM-BWAHOGKJSA-N 0 0 503.693 6.862 50 10 KKCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3Cl)C2=O)SC1=S ZINC000016730735 553576717 /nfs/dbraw/zinc/57/67/17/553576717.db2.gz XXHCLLFZJUNMLV-MRCUWXFGSA-N 0 0 500.045 5.087 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000016790594 553582486 /nfs/dbraw/zinc/58/24/86/553582486.db2.gz JAZDMWQSRHZELQ-HZHRSRAPSA-N 0 0 518.616 5.077 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C)c1 ZINC000016790873 553582694 /nfs/dbraw/zinc/58/26/94/553582694.db2.gz DMZIYQXNMJCWQZ-SNBKPDPGSA-N 0 0 500.883 6.474 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C)c1 ZINC000016790875 553582735 /nfs/dbraw/zinc/58/27/35/553582735.db2.gz DMZIYQXNMJCWQZ-QLRFGTIISA-N 0 0 500.883 6.474 50 10 KKCARN N=C1/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000016945133 553584306 /nfs/dbraw/zinc/58/43/06/553584306.db2.gz LPWMRKULNWVNSO-RBXQIHJPSA-N 0 0 504.615 6.415 50 10 KKCARN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017193941 553590293 /nfs/dbraw/zinc/59/02/93/553590293.db2.gz UBLIOLXOIYIXBX-HAHDFKILSA-N 0 0 523.464 6.889 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000018118178 553605052 /nfs/dbraw/zinc/60/50/52/553605052.db2.gz GJPIEPOQHXDRAX-GMBXZBGESA-N 0 0 530.694 6.106 50 10 KKCARN CC(NCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000018136753 553605763 /nfs/dbraw/zinc/60/57/63/553605763.db2.gz VTJAPBLRIRLQEI-JJIBRWJFSA-N 0 0 505.068 6.508 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OC)c(Br)c3)S2)cc1 ZINC000018193731 553608272 /nfs/dbraw/zinc/60/82/72/553608272.db2.gz RPZIURLCXLZRCH-YBEGLDIGSA-N 0 0 512.223 5.701 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238767 553624395 /nfs/dbraw/zinc/62/43/95/553624395.db2.gz DRJPQKCKRAALKM-VYIPLNHISA-N 0 0 501.524 5.229 50 10 KKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000020375555 553643565 /nfs/dbraw/zinc/64/35/65/553643565.db2.gz PUPFZYBRXNAWID-QMOBXOPCSA-N 0 0 510.678 6.665 50 10 biogenic KKCARN O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000082196863 553676326 /nfs/dbraw/zinc/67/63/26/553676326.db2.gz OZMARZSNLQTLII-UHFFFAOYSA-N 0 0 667.677 7.486 50 10 KKCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(I)cc3)c2)SC1=S ZINC000020608716 553678153 /nfs/dbraw/zinc/67/81/53/553678153.db2.gz RMTKMYQXSSZQRR-WOJGMQOQSA-N 0 0 511.406 5.100 50 10 KKCARN CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(F)cc(F)c3)ccc21 ZINC000020729292 553691504 /nfs/dbraw/zinc/69/15/04/553691504.db2.gz OISLFBXJVBCGHX-UHFFFAOYSA-N 0 0 502.675 5.049 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OCC)cc3)ccc21 ZINC000020731570 553692163 /nfs/dbraw/zinc/69/21/63/553692163.db2.gz DBJNXTQZBDCTKN-UHFFFAOYSA-N 0 0 524.775 5.559 50 10 KKCARN N=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000089267738 553693824 /nfs/dbraw/zinc/69/38/24/553693824.db2.gz IZEBILOPROSQCD-BVGLBJDRSA-N 0 0 511.610 6.510 50 10 KKCARN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(OC)c3)C(=N)N12 ZINC000020114710 553695714 /nfs/dbraw/zinc/69/57/14/553695714.db2.gz OKVWVCMMLQYDSN-VZKNCDIUSA-N 0 0 517.032 5.136 50 10 KKCARN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763048 553696195 /nfs/dbraw/zinc/69/61/95/553696195.db2.gz UDQVFDHGZAWUGK-GMAHTHKFSA-N 0 0 516.233 6.148 50 10 KKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764127 553696328 /nfs/dbraw/zinc/69/63/28/553696328.db2.gz HENFBZAYGIMAOE-HYBUGGRVSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763909 553696417 /nfs/dbraw/zinc/69/64/17/553696417.db2.gz IGLPEVYRQKXAIM-ISKFKSNPSA-N 0 0 520.254 7.083 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000020763988 553696423 /nfs/dbraw/zinc/69/64/23/553696423.db2.gz XYNLEGAGJDARFC-IRLDBZIGSA-N 0 0 510.646 7.337 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000095481268 553701832 /nfs/dbraw/zinc/70/18/32/553701832.db2.gz HMTBNJNBWGIYML-MFYXSQMNSA-N 0 0 504.594 5.740 50 10 KKCARN COc1ccc(C2=CC(=O)c3c(C)oc(C)c3C(=O)C2=NNc2ccc(Br)cc2)cc1OC ZINC000095482133 553702077 /nfs/dbraw/zinc/70/20/77/553702077.db2.gz KSLGIHSAKQFILI-BYYHNAKLSA-N 0 0 509.356 6.978 50 10 KKCARN CCCC[NH+](CCCC)CCNc1ccc(/N=N/c2ccc(S(=O)(=O)[O-])c3ccccc23)c2ccccc12 ZINC000096026621 553723647 /nfs/dbraw/zinc/72/36/47/553723647.db2.gz QWSPARPMYAAMGQ-ULIFNZDWSA-N 0 0 532.710 7.969 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288723 553740498 /nfs/dbraw/zinc/74/04/98/553740498.db2.gz IEWDSQSUTGXSTG-UHFFFAOYSA-N 0 0 513.487 5.754 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)COC ZINC000096290290 553743388 /nfs/dbraw/zinc/74/33/88/553743388.db2.gz BETUVEJDAFWNRP-QGZVFWFLSA-N 0 0 531.502 5.381 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096291207 553744852 /nfs/dbraw/zinc/74/48/52/553744852.db2.gz DBNFRTCLMDAPHE-UHFFFAOYSA-N 0 0 500.583 5.324 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N[C@@H](C)c4ccccc4)[C@H]3C2)cc1 ZINC000096457007 553754583 /nfs/dbraw/zinc/75/45/83/553754583.db2.gz GMIMOYIDAPAQCL-YDOVEJIGSA-N 0 0 509.572 5.459 50 10 KKCARN CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097944383 553769288 /nfs/dbraw/zinc/76/92/88/553769288.db2.gz BSOPEQQEYYCLRO-PGNDWZGLSA-N 0 0 529.898 5.689 50 10 KKCARN CCCCOC(=O)c1cc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)ccc1Cl ZINC000097944361 553769324 /nfs/dbraw/zinc/76/93/24/553769324.db2.gz RHRWJIACOUZYBZ-WJDWOHSUSA-N 0 0 515.224 6.976 50 10 KKCARN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000097944353 553769347 /nfs/dbraw/zinc/76/93/47/553769347.db2.gz HXZXPAHOFOITIG-ITYLOYPMSA-N 0 0 536.609 6.098 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000097944350 553769355 /nfs/dbraw/zinc/76/93/55/553769355.db2.gz MKNFEVPUWXWAEU-XKZIYDEJSA-N 0 0 596.812 5.459 50 10 KKCARN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000097944955 553770329 /nfs/dbraw/zinc/77/03/29/553770329.db2.gz IESGWERIZSQOMO-VQNDASPWSA-N 0 0 588.796 7.572 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000023410848 553774735 /nfs/dbraw/zinc/77/47/35/553774735.db2.gz ACVFCCATWRAICG-HMAPJEAMSA-N 0 0 518.498 6.571 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000097946133 553776926 /nfs/dbraw/zinc/77/69/26/553776926.db2.gz IKVBYYFWBNDXAA-GTWSWNCMSA-N 0 0 545.042 7.578 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 ZINC000097946334 553778452 /nfs/dbraw/zinc/77/84/52/553778452.db2.gz JVKAHRLKLWFWQF-BGDIREAQSA-N 0 0 612.799 8.851 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097946328 553778456 /nfs/dbraw/zinc/77/84/56/553778456.db2.gz XXKTUMMTUVBSMK-CGBWALKFSA-N 0 0 571.699 6.638 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1 ZINC000097946326 553778488 /nfs/dbraw/zinc/77/84/88/553778488.db2.gz RNOXEJYJTXAOOI-QXPFVDMISA-N 0 0 638.214 8.224 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000097946323 553778518 /nfs/dbraw/zinc/77/85/18/553778518.db2.gz JGFVWABUFUQVRL-FSGOGVSDSA-N 0 0 577.706 7.659 50 10 KKCARN Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c(C)c1 ZINC000097946353 553778714 /nfs/dbraw/zinc/77/87/14/553778714.db2.gz KDDVIQLHBBWPJX-IWIPYMOSSA-N 0 0 559.116 6.664 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000097946376 553778735 /nfs/dbraw/zinc/77/87/35/553778735.db2.gz MWVMUEWBTAXOFU-BWAHOGKJSA-N 0 0 602.763 6.098 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)SC2=S)cc1 ZINC000097946466 553779506 /nfs/dbraw/zinc/77/95/06/553779506.db2.gz PFVNNDLEWLSEOT-QQXSKIMKSA-N 0 0 527.671 6.266 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(Br)ccc21 ZINC000097946503 553779818 /nfs/dbraw/zinc/77/98/18/553779818.db2.gz WYDNCQAGQFSIRB-HNENSFHCSA-N 0 0 521.889 6.021 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl ZINC000097946561 553780233 /nfs/dbraw/zinc/78/02/33/553780233.db2.gz XHHZIVBFCJMAQG-ONUIUJJFSA-N 0 0 546.117 7.383 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000097946653 553780806 /nfs/dbraw/zinc/78/08/06/553780806.db2.gz UYYDTWYVOPXDKY-CEUNXORHSA-N 0 0 620.196 7.443 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947011 553782801 /nfs/dbraw/zinc/78/28/01/553782801.db2.gz DNALEONPQXBIJH-QFXXMJIKSA-N 0 0 565.931 6.566 50 10 KKCARN CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947020 553783131 /nfs/dbraw/zinc/78/31/31/553783131.db2.gz YGGJTRZUZZXKAG-MJLBXUHQSA-N 0 0 529.898 6.002 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br ZINC000097947064 553783304 /nfs/dbraw/zinc/78/33/04/553783304.db2.gz QUZXSPZZKVMWFE-UUMRFZBWSA-N 0 0 556.507 5.691 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000097947071 553783361 /nfs/dbraw/zinc/78/33/61/553783361.db2.gz REWLGWZNBIKREM-KRRFMNJDSA-N 0 0 533.671 6.606 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947215 553784717 /nfs/dbraw/zinc/78/47/17/553784717.db2.gz JGUNEHUHMDUONV-YQYKVWLJSA-N 0 0 575.759 8.273 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1O ZINC000097948756 553796351 /nfs/dbraw/zinc/79/63/51/553796351.db2.gz CVJTXVZWBXUXBU-FQEVSTJZSA-N 0 0 602.425 7.481 50 10 KKCARN O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1O ZINC000097948757 553796373 /nfs/dbraw/zinc/79/63/73/553796373.db2.gz CVJTXVZWBXUXBU-HXUWFJFHSA-N 0 0 602.425 7.481 50 10 KKCARN COc1ccc(-c2ccc(CCC(=O)NCc3c(F)cccc3Cl)n2-c2ccc(SC)cc2)cc1 ZINC000025151096 553796578 /nfs/dbraw/zinc/79/65/78/553796578.db2.gz WKUXALKZSSIXTG-UHFFFAOYSA-N 0 0 509.046 6.916 50 10 KKCARN CN1C(=O)C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N(C)C1=O ZINC000097948850 553797053 /nfs/dbraw/zinc/79/70/53/553797053.db2.gz YKJLZWTXGPPUJM-UHFFFAOYSA-N 0 0 607.133 5.365 50 10 KKCARN O=C(Nc1ccccc1F)C(=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F ZINC000025424472 553808927 /nfs/dbraw/zinc/80/89/27/553808927.db2.gz UOJRUZLZCQUOOM-UHFFFAOYSA-N 0 0 506.509 5.524 50 10 KKCARN CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)SC1=S ZINC000025581315 553811738 /nfs/dbraw/zinc/81/17/38/553811738.db2.gz XENIJYSCPIVHND-XQNSMLJCSA-N 0 0 522.652 6.238 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3ccc(C)c(C)c3)C1=N2 ZINC000097952183 553813866 /nfs/dbraw/zinc/81/38/66/553813866.db2.gz RZWOKUGBBFSSSB-LJAQVGFWSA-N 0 0 541.615 6.399 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3cccc(C)c3)C1=N2 ZINC000097952395 553815279 /nfs/dbraw/zinc/81/52/79/553815279.db2.gz ULEGMFDMERAPHM-NDEPHWFRSA-N 0 0 527.588 6.091 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000026503388 553818916 /nfs/dbraw/zinc/81/89/16/553818916.db2.gz MDQBIZLGMFTNEB-GBOYIAKHSA-N 0 0 526.772 5.903 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000026503399 553818952 /nfs/dbraw/zinc/81/89/52/553818952.db2.gz MDQBIZLGMFTNEB-FHTHWAKJSA-N 0 0 526.772 5.903 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000026533659 553819195 /nfs/dbraw/zinc/81/91/95/553819195.db2.gz XHHXFJDYVKSIAZ-NBABUMTBSA-N 0 0 526.772 5.903 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000026607857 553819649 /nfs/dbraw/zinc/81/96/49/553819649.db2.gz CRTQCCGSKFOVCC-JIZKSDINSA-N 0 0 500.555 5.389 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000026608446 553819696 /nfs/dbraw/zinc/81/96/96/553819696.db2.gz XDUTXCUFOHEZCY-PYAYSUMASA-N 0 0 506.628 5.435 50 10 KKCARN Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c3ccccc32)c1 ZINC000026608498 553819783 /nfs/dbraw/zinc/81/97/83/553819783.db2.gz OBPQXHJFFSDVIP-NKCMCOGPSA-N 0 0 510.022 6.319 50 10 KKCARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2OC)cc1 ZINC000026687318 553820423 /nfs/dbraw/zinc/82/04/23/553820423.db2.gz BRDFWNFZLIWNEC-FPAWGMAISA-N 0 0 507.589 5.317 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)SC2=S)cc1OC ZINC000026687202 553820432 /nfs/dbraw/zinc/82/04/32/553820432.db2.gz RUNACJFLFMOJLT-LFVJCYFKSA-N 0 0 501.670 5.581 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000026967263 553822831 /nfs/dbraw/zinc/82/28/31/553822831.db2.gz GYBCJMZOHXCUGJ-UIRWJGRMSA-N 0 0 515.871 5.413 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S ZINC000027018170 553823369 /nfs/dbraw/zinc/82/33/69/553823369.db2.gz YETHYHBJFDIKFA-KQWNVCNZSA-N 0 0 522.652 6.238 50 10 KKCARN CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000027019934 553823772 /nfs/dbraw/zinc/82/37/72/553823772.db2.gz KKYVEICLQXPWGE-QQTULTPQSA-N 0 0 506.737 6.057 50 10 KKCARN CCOC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)nc1C ZINC000027020146 553823776 /nfs/dbraw/zinc/82/37/76/553823776.db2.gz VLOFSMZFXCDOJE-LGMDPLHJSA-N 0 0 517.698 5.156 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000027521518 553827660 /nfs/dbraw/zinc/82/76/60/553827660.db2.gz YVWSMFWVUGLLRQ-NLRVBDNBSA-N 0 0 502.571 5.249 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000027521483 553827680 /nfs/dbraw/zinc/82/76/80/553827680.db2.gz NECCWQQTRXJZGS-CVKSISIWSA-N 0 0 526.464 6.648 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 ZINC000027531846 553832028 /nfs/dbraw/zinc/83/20/28/553832028.db2.gz UPWIEOIHPWMOAD-NCELDCMTSA-N 0 0 507.633 5.575 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1OC ZINC000027549859 553834102 /nfs/dbraw/zinc/83/41/02/553834102.db2.gz IIVWCDPVAFIYLI-CXKBKOLISA-N 0 0 527.046 5.959 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000027549886 553834371 /nfs/dbraw/zinc/83/43/71/553834371.db2.gz FZMIHXKXNJFCMK-RRABYFSWSA-N 0 0 527.046 5.780 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029491847 553845219 /nfs/dbraw/zinc/84/52/19/553845219.db2.gz MCJOCINLOZBLBP-OHVHUJDQSA-N 0 0 608.743 6.000 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029492037 553845387 /nfs/dbraw/zinc/84/53/87/553845387.db2.gz VPYWFDOGBZLODB-IQEFUEHOSA-N 0 0 523.637 6.164 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000097957630 553847047 /nfs/dbraw/zinc/84/70/47/553847047.db2.gz OJDFGBFZMBXTBZ-IWIPYMOSSA-N 0 0 656.733 6.726 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000097957794 553848394 /nfs/dbraw/zinc/84/83/94/553848394.db2.gz LVFZSFRDTYGRDW-ULGBZLAJSA-N 0 0 531.407 5.451 50 10 KKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(OC)c(OCCOc4ccccc4Cl)c(OC)c3)C2=N)S1 ZINC000097957823 553848795 /nfs/dbraw/zinc/84/87/95/553848795.db2.gz QOTOOLSSLAQUHZ-LTYQDDISSA-N 0 0 557.072 6.014 50 10 KKCARN N=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000097957836 553848851 /nfs/dbraw/zinc/84/88/51/553848851.db2.gz VHZALMDZEVXGQV-HIHLPPOPSA-N 0 0 523.017 6.740 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097957970 553850175 /nfs/dbraw/zinc/85/01/75/553850175.db2.gz HXFBZSHXXRBYFV-OJQDQQHHSA-N 0 0 533.715 7.462 50 10 KKCARN N=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000097958029 553850509 /nfs/dbraw/zinc/85/05/09/553850509.db2.gz YWTCSQAVLZGMBI-HARGOPFBSA-N 0 0 526.021 6.041 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1cccc2ccccc21 ZINC000097958103 553851105 /nfs/dbraw/zinc/85/11/05/553851105.db2.gz ZPAFQIMIIKVOTO-OOAUGABOSA-N 0 0 567.070 7.138 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)CN3C(=O)CCC3=O)C(C)(C)C2=S)S1 ZINC000097958125 553851459 /nfs/dbraw/zinc/85/14/59/553851459.db2.gz GQWPEOPQNGVOFN-JVCXMKTPSA-N 0 0 622.790 5.810 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2cc(C)ccc2n1CCOc1ccc(Cl)cc1Cl ZINC000097958108 553851462 /nfs/dbraw/zinc/85/14/62/553851462.db2.gz WSZOCPCBQBUOFZ-BOSGDGIHSA-N 0 0 554.503 6.919 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000097958132 553851465 /nfs/dbraw/zinc/85/14/65/553851465.db2.gz GFYSSGDGQLGCBH-XYSKHWKFSA-N 0 0 537.428 6.248 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000097958595 553856204 /nfs/dbraw/zinc/85/62/04/553856204.db2.gz HJRAFSMHTNBIGL-NHFJDJAPSA-N 0 0 533.715 7.246 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1Cl ZINC000097958649 553856460 /nfs/dbraw/zinc/85/64/60/553856460.db2.gz CKILNQKVCLLYHK-JJIBRWJFSA-N 0 0 560.524 7.646 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl ZINC000097958810 553858016 /nfs/dbraw/zinc/85/80/16/553858016.db2.gz CUMOBIBVRYGKTK-IEYUWCRKSA-N 0 0 577.062 5.791 50 10 KKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccc(Br)cc4)c4ccccc34)C2=N)S1 ZINC000097958856 553858384 /nfs/dbraw/zinc/85/83/84/553858384.db2.gz WUMFWYBIQJIAOV-JFDFMHGASA-N 0 0 536.455 5.758 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000097959063 553860401 /nfs/dbraw/zinc/86/04/01/553860401.db2.gz ARYIMZFQUPTQPI-HYARGMPZSA-N 0 0 526.477 6.751 50 10 KKCARN CCCCCCc1ccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(CC)C3=O)cc2OCC)cc1 ZINC000097959128 553861083 /nfs/dbraw/zinc/86/10/83/553861083.db2.gz XEZHPWAXKSWZSU-PLRJNAJWSA-N 0 0 592.621 7.650 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000097959254 553861997 /nfs/dbraw/zinc/86/19/97/553861997.db2.gz ASOOSFBKWXVYKA-YLHCSOALSA-N 0 0 670.834 6.957 50 10 KKCARN CC(C)(C)c1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097959261 553862273 /nfs/dbraw/zinc/86/22/73/553862273.db2.gz DUAZSFYFIABKGD-DIBXZPPDSA-N 0 0 552.161 7.887 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000032109440 553863167 /nfs/dbraw/zinc/86/31/67/553863167.db2.gz FGDLAPUXJWYNJO-CZBKRSFESA-N 0 0 500.983 5.732 50 10 KKCARN CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2cccc(F)c2)S1 ZINC000097959636 553865152 /nfs/dbraw/zinc/86/51/52/553865152.db2.gz FEQHGGCMWQELIO-FRKPEAEDSA-N 0 0 528.197 5.036 50 10 KKCARN Cc1c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2cc(C)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000097959765 553866138 /nfs/dbraw/zinc/86/61/38/553866138.db2.gz BLECUEYRJWPZPF-MXAYSNPKSA-N 0 0 541.500 8.158 50 10 KKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000097960189 553868797 /nfs/dbraw/zinc/86/87/97/553868797.db2.gz ORQWGUMMACSLRQ-UQQQWYQISA-N 0 0 539.429 6.871 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000097960190 553868920 /nfs/dbraw/zinc/86/89/20/553868920.db2.gz PJKLQGZHUBTUGV-ITYLOYPMSA-N 0 0 553.456 7.261 50 10 KKCARN O=C(c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O ZINC000097960217 553869280 /nfs/dbraw/zinc/86/92/80/553869280.db2.gz UYPFVGLZLUELHK-NIOMPGPNSA-N 0 0 680.680 9.350 50 10 KKCARN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1ccccc1 ZINC000097962098 553883106 /nfs/dbraw/zinc/88/31/06/553883106.db2.gz SVHIDRCYOYJPPS-FYJGNVAPSA-N 0 0 559.894 6.228 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)c3cccc4ccccc43)C(C)(C)C2=S)S1 ZINC000097962235 553883895 /nfs/dbraw/zinc/88/38/95/553883895.db2.gz BICDURLXYXKAKI-MJPNWULPSA-N 0 0 637.848 9.128 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000097962223 553883906 /nfs/dbraw/zinc/88/39/06/553883906.db2.gz VRNRCMAFFXYHCR-WGARJPEWSA-N 0 0 675.972 8.620 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000097962218 553883911 /nfs/dbraw/zinc/88/39/11/553883911.db2.gz ZUFYXQRBPIBYDD-SSDVNMTOSA-N 0 0 596.902 7.764 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)S2)cc1 ZINC000097962629 553884586 /nfs/dbraw/zinc/88/45/86/553884586.db2.gz ZOOJPGUMXNLQBV-UCQKPKSFSA-N 0 0 620.896 7.013 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000097962590 553884612 /nfs/dbraw/zinc/88/46/12/553884612.db2.gz XKVNODXOOMOKEA-JLHDDXNDSA-N 0 0 618.155 5.105 50 10 KKCARN CCOc1ccc(NC2=NC(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)S2)cc1 ZINC000097962641 553884875 /nfs/dbraw/zinc/88/48/75/553884875.db2.gz GHVGVBLCTWXICL-LDADJPATSA-N 0 0 524.380 5.180 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CCCC4)cc1 ZINC000033040594 553893782 /nfs/dbraw/zinc/89/37/82/553893782.db2.gz XNIVDVXROOEIGP-MHZLTWQESA-N 0 0 500.643 6.760 50 10 KKCARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1C ZINC000033040544 553893808 /nfs/dbraw/zinc/89/38/08/553893808.db2.gz HUDHQXPCAUKMRA-GDLZYMKVSA-N 0 0 510.707 7.238 50 10 KKCARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c1C ZINC000033040542 553893820 /nfs/dbraw/zinc/89/38/20/553893820.db2.gz HUDHQXPCAUKMRA-LJAQVGFWSA-N 0 0 510.707 7.238 50 10 KKCARN CCc1ccccc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000033051211 553895997 /nfs/dbraw/zinc/89/59/97/553895997.db2.gz RXCUTESPZFPULQ-HKBQPEDESA-N 0 0 530.676 6.737 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000097964054 553896359 /nfs/dbraw/zinc/89/63/59/553896359.db2.gz GQJGLUXJKUWOKN-APONZMGBSA-N 0 0 526.618 5.923 50 10 KKCARN Cc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964339 553897454 /nfs/dbraw/zinc/89/74/54/553897454.db2.gz QKNFXOUAFYFLOI-CLYRCMFSSA-N 0 0 551.697 6.539 50 10 KKCARN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1OC ZINC000097966226 553907593 /nfs/dbraw/zinc/90/75/93/553907593.db2.gz IXYPBJDPJKUOAQ-RPYQIVGHSA-N 0 0 534.638 5.361 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4cn(CCOc5c(C)cccc5C)c5ccccc45)C3=N)S2)cc1 ZINC000097966225 553907637 /nfs/dbraw/zinc/90/76/37/553907637.db2.gz IZDFQUNHMDAYDN-DGRCSYINSA-N 0 0 533.657 6.313 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000097966221 553907672 /nfs/dbraw/zinc/90/76/72/553907672.db2.gz RCUZNBQSYPICDX-HBWXCIPWSA-N 0 0 569.525 6.624 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)cc1 ZINC000033247557 553911691 /nfs/dbraw/zinc/91/16/91/553911691.db2.gz CHPHPPRBXXHOKY-PXLXIMEGSA-N 0 0 516.420 6.416 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000033353134 553923103 /nfs/dbraw/zinc/92/31/03/553923103.db2.gz PSXJEXWOUBNGIT-POEBIKTISA-N 0 0 587.978 6.729 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 ZINC000033353125 553923184 /nfs/dbraw/zinc/92/31/84/553923184.db2.gz SSFAFBRLQLHNAE-UGOBPDKASA-N 0 0 579.897 7.040 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000033353189 553923521 /nfs/dbraw/zinc/92/35/21/553923521.db2.gz SDPMLABZZQWXOB-UUYOSTAYSA-N 0 0 541.006 6.272 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000033353385 553924833 /nfs/dbraw/zinc/92/48/33/553924833.db2.gz VOOTWUHENAZWGS-NJNXFGOHSA-N 0 0 525.564 8.070 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C3=C2C(=O)N(c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 ZINC000033354416 553929688 /nfs/dbraw/zinc/92/96/88/553929688.db2.gz BPWNHHOJBQUKLA-ZJZHBOIVSA-N 0 0 527.580 6.684 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCCCCCCNC=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000033354877 553931864 /nfs/dbraw/zinc/93/18/64/553931864.db2.gz WUKXDCQVJQFSML-WTHRLWDASA-N 0 0 553.494 5.646 50 10 KKCARN Cc1[nH]c2c(c1CCNC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)c(Cl)ccc2Cl ZINC000033354970 553932592 /nfs/dbraw/zinc/93/25/92/553932592.db2.gz JAGUVLNEYKDLHL-UHFFFAOYSA-N 0 0 522.344 5.439 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 ZINC000033355111 553933229 /nfs/dbraw/zinc/93/32/29/553933229.db2.gz PPXBJIDTTDOQSJ-GWANMFGPSA-N 0 0 534.585 5.746 50 10 KKCARN O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000097968867 553934923 /nfs/dbraw/zinc/93/49/23/553934923.db2.gz XGPWDIUPGKOQMV-QLTSDVKISA-N 0 0 545.708 6.643 50 10 KKCARN O=C1/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000033355525 553935210 /nfs/dbraw/zinc/93/52/10/553935210.db2.gz NNQDCTMZZNXLDE-AFUMVMLFSA-N 0 0 590.475 9.150 50 10 KKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCCCCC3)c3ccccc3F)c2)c1C ZINC000033357295 553947734 /nfs/dbraw/zinc/94/77/34/553947734.db2.gz KGHVJVOJHOJLPJ-VQJSHJPSSA-N 0 0 699.867 9.381 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)SC2=S)cc1 ZINC000033358624 553957009 /nfs/dbraw/zinc/95/70/09/553957009.db2.gz ZYQNWDUBPXPDLO-XDHOZWIPSA-N 0 0 519.385 5.966 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000033660679 553966760 /nfs/dbraw/zinc/96/67/60/553966760.db2.gz OMEQYPNECLHHHM-AFDYPQSWSA-N 0 0 519.736 7.356 50 10 KKCARN Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 ZINC000033788165 553973801 /nfs/dbraw/zinc/97/38/01/553973801.db2.gz GYRCZQKETAXCSA-HAHDFKILSA-N 0 0 515.578 6.877 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000033879727 553975750 /nfs/dbraw/zinc/97/57/50/553975750.db2.gz NPVRFCUFIHFQKY-PVHODMMVSA-N 0 0 505.570 6.204 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000033893180 553976057 /nfs/dbraw/zinc/97/60/57/553976057.db2.gz RZAKOMBVLCDMMK-FCEKVYKBSA-N 0 0 519.528 5.744 50 10 KKCARN Cc1cc(C(=O)CSC2=NC(=Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2F)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000097979107 553976345 /nfs/dbraw/zinc/97/63/45/553976345.db2.gz KDDZNQGRIISRLJ-ZMFRSBBQSA-N 0 0 647.386 9.207 50 10 KKCARN O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000097979412 553979117 /nfs/dbraw/zinc/97/91/17/553979117.db2.gz GIBQHDPXZNWJSA-RGVLZGJSSA-N 0 0 534.014 5.961 50 10 KKCARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 ZINC000034106153 553980647 /nfs/dbraw/zinc/98/06/47/553980647.db2.gz OFXPYESSGXKXDZ-NLRVBDNBSA-N 0 0 519.736 7.356 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000097980664 553990366 /nfs/dbraw/zinc/99/03/66/553990366.db2.gz ZVNZVRYLZUFWJZ-UUYOSTAYSA-N 0 0 545.469 6.127 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097984122 554014275 /nfs/dbraw/zinc/01/42/75/554014275.db2.gz HAFSIPAAXKYSGC-SCXAQCBFSA-N 0 0 627.811 5.276 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097984124 554014304 /nfs/dbraw/zinc/01/43/04/554014304.db2.gz HAFSIPAAXKYSGC-MFOCZHEKSA-N 0 0 627.811 5.276 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OCc1ccccc1 ZINC000034853364 554021247 /nfs/dbraw/zinc/02/12/47/554021247.db2.gz RXYKIVFKTORNFK-ZXVVBBHZSA-N 0 0 519.557 6.407 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000034861899 554021694 /nfs/dbraw/zinc/02/16/94/554021694.db2.gz DOMAQNZTRFIJBY-GXDFBKAQSA-N 0 0 520.680 6.865 50 10 KKCARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccc5c6c(cccc64)C(=O)N5)c4ccccc34)c3cccc1c23 ZINC000097985271 554022194 /nfs/dbraw/zinc/02/21/94/554022194.db2.gz KLYBOEGZDNSWFV-UHFFFAOYSA-N 0 0 620.668 5.879 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)Cc2ccccc2)cc1 ZINC000097985374 554023169 /nfs/dbraw/zinc/02/31/69/554023169.db2.gz LFZFNIMAHKBNAQ-PMERELPUSA-N 0 0 561.085 6.835 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3N(C(=O)c3cccc([N+](=O)[O-])c3)C(C)(C)C2=S)S1 ZINC000097990159 554028509 /nfs/dbraw/zinc/02/85/09/554028509.db2.gz ARJYBAWKYFEALY-UHFFFAOYSA-N 0 0 570.670 5.418 50 10 KKCARN COc1cc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000097990640 554028798 /nfs/dbraw/zinc/02/87/98/554028798.db2.gz ZYEHUPPGJZFVME-ZVHZXABRSA-N 0 0 512.553 6.992 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cccc(C)c3N(C(=O)COc3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097999380 554042666 /nfs/dbraw/zinc/04/26/66/554042666.db2.gz NMWGFOQSVPPUGQ-UHFFFAOYSA-N 0 0 633.813 7.209 50 10 KKCARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2Br)N3)cc1C ZINC000035387544 554047174 /nfs/dbraw/zinc/04/71/74/554047174.db2.gz WQKNCDPGYRULND-IPVFLDMMSA-N 0 0 509.469 6.693 50 10 KKCARN O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000098005110 554056904 /nfs/dbraw/zinc/05/69/04/554056904.db2.gz WTKPLKBNBMKHQL-UHFFFAOYSA-N 0 0 535.295 6.084 50 10 KKCARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O ZINC000098008409 554067526 /nfs/dbraw/zinc/06/75/26/554067526.db2.gz ULIYPHKGVUYKCJ-UHFFFAOYSA-N 0 0 570.400 7.687 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000098010794 554074623 /nfs/dbraw/zinc/07/46/23/554074623.db2.gz SVSSABDLPBYYTF-QFIPXVFZSA-N 0 0 569.724 6.150 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2-c2ccc(Cl)cc2)cc1 ZINC000035829129 554079315 /nfs/dbraw/zinc/07/93/15/554079315.db2.gz CQGLBMMCHBPQAT-UHFFFAOYSA-N 0 0 516.041 6.086 50 10 KKCARN COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000035843144 554081514 /nfs/dbraw/zinc/08/15/14/554081514.db2.gz DSYYNVWUYZRJKO-SGNDLWITSA-N 0 0 504.369 5.600 50 10 KKCARN O=C(c1ccccc1F)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000035844166 554082488 /nfs/dbraw/zinc/08/24/88/554082488.db2.gz LAGLULYXSSDMBE-ULNSLHSMSA-N 0 0 517.531 6.281 50 10 KKCARN COc1ccc(N2CCN(c3cc(-c4ccccc4)nc(SCc4ccc(C(=O)NCC(C)C)cc4)n3)CC2)cc1 ZINC000098015076 554095595 /nfs/dbraw/zinc/09/55/95/554095595.db2.gz NJRUUEDOYLCHTL-UHFFFAOYSA-N 0 0 567.759 6.157 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCc5ccccn5)c4)nc(C)c3C)CC2)cc1 ZINC000098015313 554097785 /nfs/dbraw/zinc/09/77/85/554097785.db2.gz NLFRVKKMGDFGME-UHFFFAOYSA-N 0 0 554.720 5.046 50 10 KKCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(C)c(C)c(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 ZINC000098015315 554098169 /nfs/dbraw/zinc/09/81/69/554098169.db2.gz XEQUABMDETXFMP-HHHXNRCGSA-N 0 0 603.789 5.136 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)NCc5ccco5)c4)n3)CC2)cc1 ZINC000098015406 554098774 /nfs/dbraw/zinc/09/87/74/554098774.db2.gz BOHFBEWESDLUJA-UHFFFAOYSA-N 0 0 571.747 5.925 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc2-c2ccccc2)cc1OC ZINC000098019502 554112755 /nfs/dbraw/zinc/11/27/55/554112755.db2.gz ABOCCBWKNQFVDG-UHFFFAOYSA-N 0 0 559.666 6.221 50 10 KKCARN Cc1c(C(=O)N2CCN(C(=O)Nc3ccccc3Br)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000098019749 554114471 /nfs/dbraw/zinc/11/44/71/554114471.db2.gz XCOCLXYCGFNHLQ-UHFFFAOYSA-N 0 0 561.455 6.344 50 10 KKCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000098046986 554145794 /nfs/dbraw/zinc/14/57/94/554145794.db2.gz QJGRUQDHNDPGKC-HNNXBMFYSA-N 0 0 540.702 6.606 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000098047994 554158322 /nfs/dbraw/zinc/15/83/22/554158322.db2.gz NPJJKXUQWPUSMV-QHCPKHFHSA-N 0 0 559.157 5.098 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000100041006 554192094 /nfs/dbraw/zinc/19/20/94/554192094.db2.gz JUQOCXYFWBNACJ-KYGWZODQSA-N 0 0 548.647 6.063 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000100041113 554192154 /nfs/dbraw/zinc/19/21/54/554192154.db2.gz MIIUCHHUSGDRNF-LZUTUTKMSA-N 0 0 532.648 6.357 50 10 KKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000100042172 554192575 /nfs/dbraw/zinc/19/25/75/554192575.db2.gz SZIMOAXVGHVBAT-UHFFFAOYSA-N 0 0 576.564 5.742 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100065800 554199823 /nfs/dbraw/zinc/19/98/23/554199823.db2.gz RKVDHMRXIJAROZ-XGLZOBASSA-N 0 0 596.536 5.521 50 10 KKCARN COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000100085125 554208684 /nfs/dbraw/zinc/20/86/84/554208684.db2.gz JAVUEOFXOXYFIZ-VGOFMYFVSA-N 0 0 553.219 6.645 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100087264 554209537 /nfs/dbraw/zinc/20/95/37/554209537.db2.gz BLKZTYVJBLYCCW-NFYDWNOTSA-N 0 0 600.955 6.166 50 10 KKCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000100114757 554222863 /nfs/dbraw/zinc/22/28/63/554222863.db2.gz CVXUXIUJXBAOOM-VEILYXNESA-N 0 0 550.640 6.367 50 10 KKCARN CCC(CC)C(=O)N1c2cc(C)c(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000100114753 554222866 /nfs/dbraw/zinc/22/28/66/554222866.db2.gz GJDHCDFGSODCKG-UHFFFAOYSA-N 0 0 533.737 5.941 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)c(C)cc3N(C(=O)Cc3cccs3)C(C)(C)C2=S)S1 ZINC000100116147 554223528 /nfs/dbraw/zinc/22/35/28/554223528.db2.gz KNZUDAWLIXOFKR-UHFFFAOYSA-N 0 0 559.756 5.809 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C2=S)S1 ZINC000100127332 554225052 /nfs/dbraw/zinc/22/50/52/554225052.db2.gz RCDHZWCNYFODMS-UHFFFAOYSA-N 0 0 581.781 6.808 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000100147708 554230676 /nfs/dbraw/zinc/23/06/76/554230676.db2.gz YREAUUGZAGPNGW-HMAPJEAMSA-N 0 0 569.253 6.035 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000100160818 554234944 /nfs/dbraw/zinc/23/49/44/554234944.db2.gz WOYZNGYNHHDYNV-JCMHNJIXSA-N 0 0 542.151 6.570 50 10 KKCARN CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2cccs2)cc1 ZINC000100184744 554242479 /nfs/dbraw/zinc/24/24/79/554242479.db2.gz LJRBVEOFVKYMQE-CPNJWEJPSA-N 0 0 514.344 5.378 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)c(OS(C)(=O)=O)c1 ZINC000037422393 554243173 /nfs/dbraw/zinc/24/31/73/554243173.db2.gz NVLFWENTYQNIEY-UHFFFAOYSA-N 0 0 519.038 5.506 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)C1CCC1 ZINC000037423105 554243485 /nfs/dbraw/zinc/24/34/85/554243485.db2.gz ITMZMQISIFKDIV-FQEVSTJZSA-N 0 0 529.703 5.186 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Br ZINC000100188151 554243609 /nfs/dbraw/zinc/24/36/09/554243609.db2.gz IJAKIASEAMAOKZ-HMAPJEAMSA-N 0 0 540.460 6.078 50 10 KKCARN 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ZINC000101670144 554823548 /nfs/dbraw/zinc/82/35/48/554823548.db2.gz RBVRGBLXCOIQQA-GVBYMILNSA-N 0 0 581.712 7.600 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000101670653 554823996 /nfs/dbraw/zinc/82/39/96/554823996.db2.gz MBDBXPOEOAQUPJ-SSBOKUKZSA-N 0 0 582.077 6.735 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cccc(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000101671176 554824672 /nfs/dbraw/zinc/82/46/72/554824672.db2.gz PQRJZFYVDSNPFA-MJSOWUPRSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101671221 554824714 /nfs/dbraw/zinc/82/47/14/554824714.db2.gz ASPFOEOSUWYSRJ-DYIKCSJPSA-N 0 0 576.048 6.674 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101671902 554825402 /nfs/dbraw/zinc/82/54/02/554825402.db2.gz HHBHOZRAENCQFD-GMQQYTKMSA-N 0 0 600.921 7.480 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000101672495 554826027 /nfs/dbraw/zinc/82/60/27/554826027.db2.gz DGKBCLJAEKGKGG-DYIKCSJPSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000101674029 554827564 /nfs/dbraw/zinc/82/75/64/554827564.db2.gz IASXYPYXBIAHRU-RWSKJCERSA-N 0 0 560.049 6.973 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101733670 554833478 /nfs/dbraw/zinc/83/34/78/554833478.db2.gz SKMLCDIBUXAGHF-HSZRJFAPSA-N 0 0 585.689 5.808 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101839274 554842331 /nfs/dbraw/zinc/84/23/31/554842331.db2.gz ARZLYRKXRBYQRW-UHFFFAOYSA-N 0 0 597.992 7.559 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101881155 554846212 /nfs/dbraw/zinc/84/62/12/554846212.db2.gz SFAPGASTUWRLSR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/91/23/30/554912330.db2.gz BLCVGVFBAUPPOM-LJAQVGFWSA-N 0 0 578.141 7.463 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000102405334 554920578 /nfs/dbraw/zinc/92/05/78/554920578.db2.gz DRFLSJGKCUTLFM-FRKPEAEDSA-N 0 0 561.765 5.443 50 10 KKCARN CCCCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC ZINC000102439344 554929200 /nfs/dbraw/zinc/92/92/00/554929200.db2.gz VOMAJFWCJDKJIJ-ATVHPVEESA-N 0 0 538.813 6.328 50 10 KKCARN CCOc1ccc(-c2c3c(c4ccccc4c([O-])c3C[NH+]3CCOCC3)n3c2-c2cc(OCC)c(OCC)cc2CC3)cc1OCC ZINC000102459763 554934990 /nfs/dbraw/zinc/93/49/90/554934990.db2.gz FKONREZOELTNDU-UHFFFAOYSA-N 0 0 636.789 7.817 50 10 KKCARN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102472328 554936600 /nfs/dbraw/zinc/93/66/00/554936600.db2.gz CGJABXVVKWJQAL-WUPCUQSLSA-N 0 0 562.710 6.482 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000102510282 554946084 /nfs/dbraw/zinc/94/60/84/554946084.db2.gz JTAOAQUTHJZANG-UZTOHYMASA-N 0 0 523.555 7.238 50 10 KKCARN CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000102523231 554949880 /nfs/dbraw/zinc/94/98/80/554949880.db2.gz SEJSLJARDDSGPP-SSEXGKCCSA-N 0 0 514.069 7.441 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000102544266 554958393 /nfs/dbraw/zinc/95/83/93/554958393.db2.gz JJWHMQLXDSNJRH-OCBJUFRSSA-N 0 0 564.468 7.618 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102548882 554960560 /nfs/dbraw/zinc/96/05/60/554960560.db2.gz QMYVORMYUDWLMK-JFHPUIQFSA-N 0 0 576.048 6.674 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102555634 554964015 /nfs/dbraw/zinc/96/40/15/554964015.db2.gz GJWTUGIMSGYUAX-PVHODMMVSA-N 0 0 556.470 7.371 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102558155 554965676 /nfs/dbraw/zinc/96/56/76/554965676.db2.gz JDFZMWFGEAHRTK-IDZRBWSNSA-N 0 0 606.074 6.682 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102562816 554968628 /nfs/dbraw/zinc/96/86/28/554968628.db2.gz LHPFYTCUCVSCOV-UODIDJSMSA-N 0 0 564.003 7.407 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000102563082 554968856 /nfs/dbraw/zinc/96/88/56/554968856.db2.gz CLRPUQKOQVIKPZ-CHQNGUEUSA-N 0 0 594.494 7.627 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102563610 554969129 /nfs/dbraw/zinc/96/91/29/554969129.db2.gz QAWFPNSXOFUKCF-CEUYOYMZSA-N 0 0 571.648 7.274 50 10 KKCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000102616567 554984354 /nfs/dbraw/zinc/98/43/54/554984354.db2.gz YMCRCJNYYKBQOG-WNOSOOIWSA-N 0 0 612.387 7.247 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](NC(=O)c4ccccc4)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000102617811 554985008 /nfs/dbraw/zinc/98/50/08/554985008.db2.gz HHIPFESMFDSXST-VNSJDZJPSA-N 0 0 577.942 6.906 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1O[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000102618443 554985263 /nfs/dbraw/zinc/98/52/63/554985263.db2.gz JLOMPGWRGFEKLC-JPFXZVHCSA-N 0 0 597.929 6.195 50 10 KKCARN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000102619760 554986290 /nfs/dbraw/zinc/98/62/90/554986290.db2.gz HKNILDMWCZDVOV-YZLQOSHFSA-N 0 0 600.570 8.398 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000102623528 554987725 /nfs/dbraw/zinc/98/77/25/554987725.db2.gz BPQSFPYCALTEBN-YHSGTQGLSA-N 0 0 518.784 5.591 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 ZINC000102630350 554989330 /nfs/dbraw/zinc/98/93/30/554989330.db2.gz KJDIAXSQYAPYKT-YIKNKFAXSA-N 0 0 561.981 6.053 50 10 KKCARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000102679166 555004799 /nfs/dbraw/zinc/00/47/99/555004799.db2.gz IIFVFLQRLJXZIQ-KOEQRZSOSA-N 0 0 620.753 6.237 50 10 KKCARN COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)cc2)cc1 ZINC000102679389 555005020 /nfs/dbraw/zinc/00/50/20/555005020.db2.gz TUIQPUAFCPJQLH-DYPJIYITSA-N 0 0 561.681 5.775 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 ZINC000102679722 555005092 /nfs/dbraw/zinc/00/50/92/555005092.db2.gz JUSIXVIVKNHWSI-LFVJCYFKSA-N 0 0 607.182 6.661 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000102686182 555006905 /nfs/dbraw/zinc/00/69/05/555006905.db2.gz VECFZNJBGYLMOK-GZZLJNBRSA-N 0 0 598.772 8.523 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc(/C=C4/Sc5ccccc5N(Cc5cccc(Cl)c5)C4=O)cc3)CC2)cc1 ZINC000102748093 555042070 /nfs/dbraw/zinc/04/20/70/555042070.db2.gz VSYBXZNWWWGACE-WEMUVCOSSA-N 0 0 596.152 6.991 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(Br)c3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000102781263 555066006 /nfs/dbraw/zinc/06/60/06/555066006.db2.gz IGTLQSAPFIOHPK-UHFFFAOYSA-N 0 0 604.523 5.915 50 10 KKCARN O=C(Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000102784082 555066838 /nfs/dbraw/zinc/06/68/38/555066838.db2.gz KUTFEARALYPYCR-JGCGQSQUSA-N 0 0 599.646 7.416 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CC(C)(C)C ZINC000102846932 555084262 /nfs/dbraw/zinc/08/42/62/555084262.db2.gz IFSDTOLBQQKIQC-NRFANRHFSA-N 0 0 545.746 5.822 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000102861824 555091862 /nfs/dbraw/zinc/09/18/62/555091862.db2.gz AGOZZECBFBDBIH-PMERELPUSA-N 0 0 572.547 8.402 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102870231 555100341 /nfs/dbraw/zinc/10/03/41/555100341.db2.gz DLRFSSBCWRIZHJ-ZONZVBGPSA-N 0 0 570.483 6.506 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000102870493 555100692 /nfs/dbraw/zinc/10/06/92/555100692.db2.gz DKXOUUMGFBGWDC-MPFGFTFXSA-N 0 0 577.658 6.090 50 10 KKCARN O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102871575 555102405 /nfs/dbraw/zinc/10/24/05/555102405.db2.gz APPRKYNMUGHOFJ-HMAPJEAMSA-N 0 0 529.405 5.954 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3N=C(Nc3ccc4c(c3)OCO4)C1=N2 ZINC000102886865 555117541 /nfs/dbraw/zinc/11/75/41/555117541.db2.gz QGOFTJMFVCTPHK-LJAQVGFWSA-N 0 0 556.582 6.116 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102887671 555119848 /nfs/dbraw/zinc/11/98/48/555119848.db2.gz ROBGEQOZXICWJR-MJSOWUPRSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102889810 555124439 /nfs/dbraw/zinc/12/44/39/555124439.db2.gz CCNFRGPBMDDGDG-DYIKCSJPSA-N 0 0 589.619 6.168 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000102890251 555125318 /nfs/dbraw/zinc/12/53/18/555125318.db2.gz RGXKSYTUZULYSX-IWWXRALLSA-N 0 0 590.075 6.982 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102890403 555125655 /nfs/dbraw/zinc/12/56/55/555125655.db2.gz WBMKCXXNTCHXOJ-OCBJUFRSSA-N 0 0 564.468 7.618 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102890956 555126486 /nfs/dbraw/zinc/12/64/86/555126486.db2.gz YABKFNNYPOYVOH-NGDRWEMDSA-N 0 0 564.012 6.804 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000102891672 555127420 /nfs/dbraw/zinc/12/74/20/555127420.db2.gz YCQMEUSGNPYBRH-ULNSLHSMSA-N 0 0 578.437 6.905 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102894421 555132275 /nfs/dbraw/zinc/13/22/75/555132275.db2.gz YNGCDUIEZYSJGY-MJSOWUPRSA-N 0 0 559.593 6.159 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000102895065 555133465 /nfs/dbraw/zinc/13/34/65/555133465.db2.gz MVBUKRLFWCHORB-PVHODMMVSA-N 0 0 555.577 7.083 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000102895471 555134700 /nfs/dbraw/zinc/13/47/00/555134700.db2.gz DCSGPQSKPVQVDX-IWWXRALLSA-N 0 0 589.619 6.168 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102896213 555135922 /nfs/dbraw/zinc/13/59/22/555135922.db2.gz FVETZJSMPUVHLC-MJSOWUPRSA-N 0 0 573.620 6.468 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896892 555137232 /nfs/dbraw/zinc/13/72/32/555137232.db2.gz PZOLZTXIMPXAJR-YKILCQELSA-N 0 0 590.075 6.982 50 10 KKCARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000102932331 555159897 /nfs/dbraw/zinc/15/98/97/555159897.db2.gz SBMUHDNURWLYBQ-UHFFFAOYSA-N 0 0 534.996 5.002 50 10 KKCARN C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103056752 555237764 /nfs/dbraw/zinc/23/77/64/555237764.db2.gz GFGMPDISVBICFX-LJQANCHMSA-N 0 0 545.547 5.971 50 10 KKCARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103068323 555249092 /nfs/dbraw/zinc/24/90/92/555249092.db2.gz KPDBPLNCDRRPCD-SFHVURJKSA-N 0 0 556.713 6.330 50 10 KKCARN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc5ccccc54)CC3)c(C)n2-c2ccc(F)cc2F)cc1 ZINC000103078379 555257022 /nfs/dbraw/zinc/25/70/22/555257022.db2.gz OXBWYHMCHFZACW-UHFFFAOYSA-N 0 0 565.620 6.491 50 10 KKCARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000103080439 555259206 /nfs/dbraw/zinc/25/92/06/555259206.db2.gz BEHCOMPNCCWBDC-HXUWFJFHSA-N 0 0 544.649 6.170 50 10 KKCARN COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103081422 555259889 /nfs/dbraw/zinc/25/98/89/555259889.db2.gz INUVAZTUHILZOP-DEOSSOPVSA-N 0 0 546.977 5.164 50 10 KKCARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103086970 555265593 /nfs/dbraw/zinc/26/55/93/555265593.db2.gz PSAQNOXATSEXSA-IBGZPJMESA-N 0 0 542.620 6.100 50 10 KKCARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000103091703 555270482 /nfs/dbraw/zinc/27/04/82/555270482.db2.gz KSGKTNPVJAIUBL-UHFFFAOYSA-N 0 0 587.991 5.824 50 10 KKCARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000103094428 555273325 /nfs/dbraw/zinc/27/33/25/555273325.db2.gz DXWLXXRLSLEDKO-VWLOTQADSA-N 0 0 543.645 5.708 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(Cc4cccc5ccccc54)n3-c3ccc(C)cc3C)c2C)cc1 ZINC000103102986 555280551 /nfs/dbraw/zinc/28/05/51/555280551.db2.gz AZXQLSKKKHRFAT-UHFFFAOYSA-N 0 0 586.761 8.019 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)c2C)cc1 ZINC000103122061 555291002 /nfs/dbraw/zinc/29/10/02/555291002.db2.gz CTNRZGHNPNDVES-XMMPIXPASA-N 0 0 548.640 5.432 50 10 KKCARN Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1 ZINC000103237140 555342293 /nfs/dbraw/zinc/34/22/93/555342293.db2.gz DUPWQSYTAWPJCY-UHFFFAOYSA-N 0 0 564.104 7.793 50 10 KKCARN CCCc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332885 555360147 /nfs/dbraw/zinc/36/01/47/555360147.db2.gz LGZVEMJNEFQJAH-OYTZIAQDSA-N 0 0 548.683 6.236 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)N5CCCC5)c4)n3)CC2)cc1 ZINC000103401461 555386925 /nfs/dbraw/zinc/38/69/25/555386925.db2.gz AQZLTBNYBKIZQD-UHFFFAOYSA-N 0 0 545.753 5.638 50 10 KKCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103408942 555394689 /nfs/dbraw/zinc/39/46/89/555394689.db2.gz OOBRZOLHUQOSMH-UHFFFAOYSA-N 0 0 539.525 6.146 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccs2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103418269 555398054 /nfs/dbraw/zinc/39/80/54/555398054.db2.gz RCRNTPJZXOPPKU-UHFFFAOYSA-N 0 0 570.655 5.670 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccccc2Cl)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418331 555398074 /nfs/dbraw/zinc/39/80/74/555398074.db2.gz OFFRLMQQKVGMKH-UHFFFAOYSA-N 0 0 599.964 6.550 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccccc2F)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103418339 555398116 /nfs/dbraw/zinc/39/81/16/555398116.db2.gz FKESEATTWCODTF-UHFFFAOYSA-N 0 0 582.616 5.747 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418345 555398151 /nfs/dbraw/zinc/39/81/51/555398151.db2.gz YCGCSMQSWQINSZ-UHFFFAOYSA-N 0 0 545.529 5.628 50 10 KKCARN CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccco2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103418247 555398166 /nfs/dbraw/zinc/39/81/66/555398166.db2.gz OFDRMQWLTMNGGT-UHFFFAOYSA-N 0 0 555.480 5.489 50 10 KKCARN CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=c1\s/c(=C2\SC(=S)N(c3ccccc3)C2=O)n(CC)c1=O ZINC000103460286 555420780 /nfs/dbraw/zinc/42/07/80/555420780.db2.gz UFYAZGJJTUADEG-GWNSKDQRSA-N 0 0 625.866 6.319 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103511524 555421853 /nfs/dbraw/zinc/42/18/53/555421853.db2.gz DPNATJNYDNJTBA-JFHPUIQFSA-N 0 0 541.603 6.020 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103520126 555425670 /nfs/dbraw/zinc/42/56/70/555425670.db2.gz SZMJHZSWUXAOTM-OCBJUFRSSA-N 0 0 580.467 7.318 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103531689 555431834 /nfs/dbraw/zinc/43/18/34/555431834.db2.gz AIZCHOJOLGEWAW-RTOKGZNSSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103531732 555431888 /nfs/dbraw/zinc/43/18/88/555431888.db2.gz YWMRJEJVZJAGEJ-IDZRBWSNSA-N 0 0 529.567 6.151 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000103539893 555437840 /nfs/dbraw/zinc/43/78/40/555437840.db2.gz DYMQNJXOMCFGCH-OCBJUFRSSA-N 0 0 589.619 6.168 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000103540857 555438323 /nfs/dbraw/zinc/43/83/23/555438323.db2.gz STPRZDKAIOEILG-AWCRTANDSA-N 0 0 544.538 6.050 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103541809 555438685 /nfs/dbraw/zinc/43/86/85/555438685.db2.gz WCRINCQYDGYOFZ-OCBJUFRSSA-N 0 0 574.564 6.059 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103542633 555439033 /nfs/dbraw/zinc/43/90/33/555439033.db2.gz ASPFOEOSUWYSRJ-IDZRBWSNSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103544926 555440064 /nfs/dbraw/zinc/44/00/64/555440064.db2.gz BCKVVYUMHRLUHN-FCEKVYKBSA-N 0 0 552.051 6.726 50 10 KKCARN Cc1ccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103545883 555440500 /nfs/dbraw/zinc/44/05/00/555440500.db2.gz GGRKXMFWRGCZNZ-IDZRBWSNSA-N 0 0 540.575 6.220 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103545888 555440679 /nfs/dbraw/zinc/44/06/79/555440679.db2.gz GGRKXMFWRGCZNZ-OCBJUFRSSA-N 0 0 540.575 6.220 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000103557872 555446866 /nfs/dbraw/zinc/44/68/66/555446866.db2.gz HVLZVYCRRNOOAG-CPCREDONSA-N 0 0 585.656 6.337 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103558899 555447571 /nfs/dbraw/zinc/44/75/71/555447571.db2.gz DXQNGJOYHHKREW-ULNSLHSMSA-N 0 0 526.548 5.911 50 10 KKCARN O=[N+]([O-])c1ccc2nc3c4cc(I)ccc4c4ccc(I)cc4c3nc2c1 ZINC000103560444 555448616 /nfs/dbraw/zinc/44/86/16/555448616.db2.gz DZASIQLIIZPAEU-UHFFFAOYSA-N 0 0 577.119 6.207 50 10 KKCARN O=C(CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000103598367 555453827 /nfs/dbraw/zinc/45/38/27/555453827.db2.gz XMQDBPUTEDUBJC-UDWIEESQSA-N 0 0 548.542 6.661 50 10 KKCARN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000103653914 555461357 /nfs/dbraw/zinc/46/13/57/555461357.db2.gz UZSIKETWSYIQMG-LQNQUEJISA-N 0 0 583.685 7.104 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc(I)c1OCc1ccccc1F ZINC000103704756 555464168 /nfs/dbraw/zinc/46/41/68/555464168.db2.gz LRXIFCACXLGIEK-KFVDHDSCSA-N 0 0 616.412 5.668 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000103750940 555467542 /nfs/dbraw/zinc/46/75/42/555467542.db2.gz QZGKFFJJHSKNMM-KZRJEWNFSA-N 0 0 593.478 6.542 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000103751321 555467607 /nfs/dbraw/zinc/46/76/07/555467607.db2.gz NUBYIDSICLRHNC-ZHSAXHDMSA-N 0 0 563.104 6.496 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)c2ccccc21 ZINC000103751687 555467812 /nfs/dbraw/zinc/46/78/12/555467812.db2.gz PMOAOKSWWPCWRW-FIPXTMFVSA-N 0 0 535.629 5.705 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(C)c2)N=C1C ZINC000103794153 555481463 /nfs/dbraw/zinc/48/14/63/555481463.db2.gz SUVLKXMTQVIRCR-PXLXIMEGSA-N 0 0 534.410 5.590 50 10 KKCARN 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CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000150496554 571518106 /nfs/dbraw/zinc/51/81/06/571518106.db2.gz DBHJFBXOMNPZPC-UHFFFAOYSA-N 0 0 659.702 7.701 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000150507638 571519280 /nfs/dbraw/zinc/51/92/80/571519280.db2.gz ZZGARXBIDHNVFZ-UHFFFAOYSA-N 0 0 632.651 7.440 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Sc2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150635630 571524329 /nfs/dbraw/zinc/52/43/29/571524329.db2.gz PLUGFVXVQITWCK-QXLZFTBOSA-N 0 0 653.595 8.582 50 10 KKCARN COc1ccc(N2CCN(C(=O)CCCCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 ZINC000150653013 571525702 /nfs/dbraw/zinc/52/57/02/571525702.db2.gz VDCUOTHDKYJQTP-HKBQPEDESA-N 0 0 672.823 5.193 50 10 biogenic KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000159475491 571530393 /nfs/dbraw/zinc/53/03/93/571530393.db2.gz 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COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229912301 572168888 /nfs/dbraw/zinc/16/88/88/572168888.db2.gz RPDXZPJKOADMGC-DCMFLLSESA-N 0 0 555.630 6.329 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229913836 572168895 /nfs/dbraw/zinc/16/88/95/572168895.db2.gz VOSIZXWBENCUJT-OJDZSJEKSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229922062 572169607 /nfs/dbraw/zinc/16/96/07/572169607.db2.gz HXKDIVHBNWKENG-OJDZSJEKSA-N 0 0 560.049 6.973 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229922610 572170212 /nfs/dbraw/zinc/17/02/12/572170212.db2.gz SECIOMRKCOQFBK-QAXCHELISA-N 0 0 574.076 7.363 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229935714 572171115 /nfs/dbraw/zinc/17/11/15/572171115.db2.gz HVBKQLODOMMVSY-FRXPANAUSA-N 0 0 576.048 6.674 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc(OC)cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229937127 572171776 /nfs/dbraw/zinc/17/17/76/572171776.db2.gz ZXBKDJIBTDEEBP-DCMFLLSESA-N 0 0 555.630 6.410 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000229946732 572173090 /nfs/dbraw/zinc/17/30/90/572173090.db2.gz FNOTUXMHJCMXSH-LHHUKBANSA-N 0 0 569.613 5.937 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229955744 572173983 /nfs/dbraw/zinc/17/39/83/572173983.db2.gz LDBNYVGOHLMBLS-OJDZSJEKSA-N 0 0 590.075 6.982 50 10 KKCARN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000229975426 572176132 /nfs/dbraw/zinc/17/61/32/572176132.db2.gz YWNOVVNONBTGKQ-RRQZXNHTSA-N 0 0 599.274 9.189 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229992821 572177005 /nfs/dbraw/zinc/17/70/05/572177005.db2.gz BKQUUZIYODHVFK-OJDZSJEKSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000230201119 572185375 /nfs/dbraw/zinc/18/53/75/572185375.db2.gz SFRXOFUQGUYRFS-YPKYBTACSA-N 0 0 543.594 6.459 50 10 KKCARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000245253791 572221484 /nfs/dbraw/zinc/22/14/84/572221484.db2.gz QFKWKKLVLPCZQF-GCNACTRFSA-N 0 0 512.480 5.563 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(Cl)cc3OC)[C@@H]3CCCC[C@H]3C)ccc21 ZINC000245339418 572236713 /nfs/dbraw/zinc/23/67/13/572236713.db2.gz SOPKPDFUTOUOHO-CJFMBICVSA-N 0 0 500.152 7.289 50 10 KKCARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccc(OC)cc5)C[C@H]43)C2=O)cc1 ZINC000248241057 572256875 /nfs/dbraw/zinc/25/68/75/572256875.db2.gz BOYLKBBYEPNYBG-IZEXYCQBSA-N 0 0 592.618 5.551 50 10 KKCARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000248250993 572257142 /nfs/dbraw/zinc/25/71/42/572257142.db2.gz IZIAOPADRCMXMO-ACIRYHQQSA-N 0 0 506.602 5.284 50 10 KKCARN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248251000 572257299 /nfs/dbraw/zinc/25/72/99/572257299.db2.gz IZIAOPADRCMXMO-XTQYNZLPSA-N 0 0 506.602 5.284 50 10 KKCARN O=C(CCSCCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252590813 572266592 /nfs/dbraw/zinc/26/65/92/572266592.db2.gz AVGZKYRLMIKAPB-UHFFFAOYSA-N 0 0 536.661 8.608 50 10 KKCARN CCOC(=O)c1c(N=Nc2ccccc2)c(-c2ccc3ccccc3c2)n2c1-c1cc(OC)c(OC)cc1CC2 ZINC000252627269 572270656 /nfs/dbraw/zinc/27/06/56/572270656.db2.gz RQEWANIUZCQTPO-UHFFFAOYSA-N 0 0 531.612 8.141 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252670855 572276398 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552098602 /nfs/dbraw/zinc/09/86/02/552098602.db2.gz UPFZDOJKJMNKIF-FCEKVYKBSA-N 0 0 539.603 5.892 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000002350699 552099961 /nfs/dbraw/zinc/09/99/61/552099961.db2.gz RLSAECYPWHXJRG-BKUYFWCQSA-N 0 0 542.469 6.457 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000002365795 552103819 /nfs/dbraw/zinc/10/38/19/552103819.db2.gz BTCNLUQYPXOCNG-JWGURIENSA-N 0 0 535.735 6.191 50 10 KKCARN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(C)n(-c6ccccc6)c5C)c(=O)n42)c2ccccc2CC3)c1 ZINC000002368171 552104534 /nfs/dbraw/zinc/10/45/34/552104534.db2.gz PNTLLSDIHOOCMQ-UTAOYMJKSA-N 0 0 543.692 5.735 50 10 KKCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000002371738 552105357 /nfs/dbraw/zinc/10/53/57/552105357.db2.gz DVAUXFBFGRDQPZ-IWIPYMOSSA-N 0 0 518.063 6.603 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000002376491 552106716 /nfs/dbraw/zinc/10/67/16/552106716.db2.gz PTDVWADDEWRICH-PMERELPUSA-N 0 0 540.627 7.004 50 10 KKCARN CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000002401306 552111528 /nfs/dbraw/zinc/11/15/28/552111528.db2.gz JJVAOURLGWHMML-OSEFQUDUSA-N 0 0 506.697 5.592 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000002414155 552114215 /nfs/dbraw/zinc/11/42/15/552114215.db2.gz VIWWJJDEFLWBQG-OCBJUFRSSA-N 0 0 511.577 6.012 50 10 KKCARN COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000002427296 552116931 /nfs/dbraw/zinc/11/69/31/552116931.db2.gz AEHKODPRKHHZJR-FCWYARTDSA-N 0 0 536.617 5.181 50 10 KKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)SC1=S ZINC000002448713 552122346 /nfs/dbraw/zinc/12/23/46/552122346.db2.gz JIESLYWBCGWBBA-QQXSKIMKSA-N 0 0 529.662 6.867 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 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/nfs/dbraw/zinc/40/25/79/553402579.db2.gz MUVJWEZVTXSZGU-ANYBSYGZSA-N 0 0 510.597 6.691 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000012631636 553405609 /nfs/dbraw/zinc/40/56/09/553405609.db2.gz XQMNSZDUQDZORV-MSXFZWOLSA-N 0 0 522.667 5.854 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000012634934 553406331 /nfs/dbraw/zinc/40/63/31/553406331.db2.gz MVUBNRYUOIZQIF-SFHVURJKSA-N 0 0 503.599 5.895 50 10 KKCARN COc1ccc(C(=O)OCc2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012953594 553429125 /nfs/dbraw/zinc/42/91/25/553429125.db2.gz BONZSQFCPZVICT-UHFFFAOYSA-N 0 0 543.563 6.241 50 10 KKCARN Cc1c(COC(=O)c2ccc(F)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000012953585 553429208 /nfs/dbraw/zinc/42/92/08/553429208.db2.gz HMCUINPXSVNOOA-UHFFFAOYSA-N 0 0 531.527 6.371 50 10 KKCARN Cc1c(COC(=O)c2cccc(C)c2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000012955412 553429568 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5.843 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000013893999 553494369 /nfs/dbraw/zinc/49/43/69/553494369.db2.gz NPLXSWVPMADMSK-CJLVFECKSA-N 0 0 520.116 6.715 50 10 KKCARN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1C ZINC000013894678 553494533 /nfs/dbraw/zinc/49/45/33/553494533.db2.gz MGEQXGYHZPWZKE-LFVJCYFKSA-N 0 0 506.605 6.075 50 10 KKCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000013896103 553494761 /nfs/dbraw/zinc/49/47/61/553494761.db2.gz MUKKUISAAMFJBW-CAPFRKAQSA-N 0 0 509.660 7.380 50 10 KKCARN C=CC(=O)N1c2cc(C)c(C)cc2/C(=C2/SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000013898600 553495239 /nfs/dbraw/zinc/49/52/39/553495239.db2.gz IJIADOSRCKHCIE-QYQHSDTDSA-N 0 0 521.729 7.065 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000013940237 553496189 /nfs/dbraw/zinc/49/61/89/553496189.db2.gz BFTFDSJCQAXRPB-LPYMAVHISA-N 0 0 500.016 6.468 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000013940730 553496521 /nfs/dbraw/zinc/49/65/21/553496521.db2.gz RDJURWQAOBEAPS-NMBITUCBSA-N 0 0 506.628 5.517 50 10 KKCARN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000013940624 553496532 /nfs/dbraw/zinc/49/65/32/553496532.db2.gz DDRYTWCPKGARDY-USHMODERSA-N 0 0 511.046 7.498 50 10 KKCARN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000014009291 553499249 /nfs/dbraw/zinc/49/92/49/553499249.db2.gz XLJRCJDZSZOYHV-UQQQWYQISA-N 0 0 518.585 5.166 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000015240750 553530285 /nfs/dbraw/zinc/53/02/85/553530285.db2.gz OHHAECBPIFLVIR-ADZLKVMLSA-N 0 0 513.019 5.534 50 10 KKCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCOc3ccc(Br)cc3)C2=N)S1 ZINC000015240771 553530350 /nfs/dbraw/zinc/53/03/50/553530350.db2.gz IYWSZZRNKDLBDK-IVTJCWFQSA-N 0 0 513.417 5.182 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C(F)(F)F)c1 ZINC000015945532 553544077 /nfs/dbraw/zinc/54/40/77/553544077.db2.gz HPZPOVQXVBYZTO-YVLHZVERSA-N 0 0 503.951 5.656 50 10 KKCARN CCOc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O ZINC000015947352 553545311 /nfs/dbraw/zinc/54/53/11/553545311.db2.gz PGCYLNACKHOBPD-JOCHJYFZSA-N 0 0 514.445 5.602 50 10 KKCARN COc1cc(Br)c(Br)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000015947801 553545562 /nfs/dbraw/zinc/54/55/62/553545562.db2.gz YAHYYIUVWKJVFM-VGDKGRGNSA-N 0 0 502.228 5.541 50 10 KKCARN CCOc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(N(CC)CC)cc2)cc(OCC)c1OCC ZINC000015953601 553545737 /nfs/dbraw/zinc/54/57/37/553545737.db2.gz SNCZWXBANJWZBM-OBWKWBNQSA-N 0 0 538.729 6.237 50 10 biogenic KKCARN Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000015977992 553547801 /nfs/dbraw/zinc/54/78/01/553547801.db2.gz NMEIFHBUJBMLIL-UHFFFAOYSA-N 0 0 517.601 7.318 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000016001602 553550050 /nfs/dbraw/zinc/55/00/50/553550050.db2.gz CMDVLDHXQMNXOQ-VJGNERBWSA-N 0 0 513.977 5.380 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016001893 553550058 /nfs/dbraw/zinc/55/00/58/553550058.db2.gz SOJKNODNUAKZLB-VJGNERBWSA-N 0 0 526.032 6.397 50 10 KKCARN CC(C)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016007225 553550241 /nfs/dbraw/zinc/55/02/41/553550241.db2.gz LLWSUTAUSNSZOE-OWHBQTKESA-N 0 0 523.632 7.126 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000016038351 553552607 /nfs/dbraw/zinc/55/26/07/553552607.db2.gz IYNZKUMEHZJJBH-OHSXHVKISA-N 0 0 506.945 5.738 50 10 KKCARN CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000016185125 553555996 /nfs/dbraw/zinc/55/59/96/553555996.db2.gz MOVJYNGHOWBOPF-VHFRWLAGSA-N 0 0 501.966 6.248 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c1 ZINC000016292698 553559271 /nfs/dbraw/zinc/55/92/71/553559271.db2.gz FSBWOBXLNKOMKC-XUIWWLCJSA-N 0 0 518.621 6.049 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000016479706 553565837 /nfs/dbraw/zinc/56/58/37/553565837.db2.gz KUUXUXQVYIVYRS-MTJSOVHGSA-N 0 0 500.428 6.614 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1 ZINC000016701056 553574769 /nfs/dbraw/zinc/57/47/69/553574769.db2.gz GWBOEQOFVSGDKE-ITYLOYPMSA-N 0 0 517.720 7.170 50 10 KKCARN Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000016728918 553575454 /nfs/dbraw/zinc/57/54/54/553575454.db2.gz AGWGVSCGLONYDG-QJOMJCCJSA-N 0 0 513.644 5.548 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S ZINC000016729863 553575912 /nfs/dbraw/zinc/57/59/12/553575912.db2.gz QGJXDQZGMIGYGP-IMRQLAEWSA-N 0 0 533.763 7.664 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000016729693 553575996 /nfs/dbraw/zinc/57/59/96/553575996.db2.gz MQKQKBHONKLUQW-ULJHMMPZSA-N 0 0 507.681 6.338 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000016730240 553576564 /nfs/dbraw/zinc/57/65/64/553576564.db2.gz OIJFMXRIWNEKSK-STZFKDTASA-N 0 0 500.045 5.439 50 10 KKCARN CCCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)C1=O ZINC000016730787 553576680 /nfs/dbraw/zinc/57/66/80/553576680.db2.gz VPSQTGQBUWTVFW-VXPUYCOJSA-N 0 0 517.470 5.376 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016730795 553576724 /nfs/dbraw/zinc/57/67/24/553576724.db2.gz BFVMBGVKJUJUFB-BVGIJJTOSA-N 0 0 501.471 5.928 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC)C2=O)c2cc(Br)ccc21 ZINC000016731809 553577280 /nfs/dbraw/zinc/57/72/80/553577280.db2.gz ZHFQLLOFOJEFKD-VXPUYCOJSA-N 0 0 509.535 6.528 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 ZINC000016731833 553577309 /nfs/dbraw/zinc/57/73/09/553577309.db2.gz SJMZIIYCCDIBIO-RAJOGRCSSA-N 0 0 509.491 5.126 50 10 KKCARN Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000016732619 553577734 /nfs/dbraw/zinc/57/77/34/553577734.db2.gz MHSVDQMXCITLCN-QJOMJCCJSA-N 0 0 512.660 5.059 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000016790978 553582725 /nfs/dbraw/zinc/58/27/25/553582725.db2.gz RCIFSGBLDMSEQU-JJBLJPBOSA-N 0 0 516.065 6.154 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc5ncccc5c4)C3=O)o2)cc1 ZINC000017293506 553592403 /nfs/dbraw/zinc/59/24/03/553592403.db2.gz YUMAGSOKCQOCRZ-QOMWVZHYSA-N 0 0 512.565 7.143 50 10 KKCARN COc1ccc(N2CCN(C(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)CC2)cc1 ZINC000070666122 553598308 /nfs/dbraw/zinc/59/83/08/553598308.db2.gz RVTSKFQLHPMWKP-WIRBSKRLSA-N 0 0 566.827 5.751 50 10 biogenic KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@H]12 ZINC000017723808 553599266 /nfs/dbraw/zinc/59/92/66/553599266.db2.gz XDPBYEMUYNKIGZ-HKBOAZHASA-N 0 0 525.866 5.054 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000070673159 553603537 /nfs/dbraw/zinc/60/35/37/553603537.db2.gz DPNATJNYDNJTBA-MJSOWUPRSA-N 0 0 541.603 6.020 50 10 biogenic KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070687055 553606149 /nfs/dbraw/zinc/60/61/49/553606149.db2.gz VVSGPPFNYKCHIX-OWHBQTKESA-N 0 0 571.629 6.029 50 10 biogenic KKCARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cccc4ccccc42)OC32C(=O)c3ccccc3C2=O)cc1C ZINC000018181691 553607767 /nfs/dbraw/zinc/60/77/67/553607767.db2.gz RSUVJNZWVQTZBO-QKDODKLFSA-N 0 0 501.538 5.152 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000018211881 553610786 /nfs/dbraw/zinc/61/07/86/553610786.db2.gz DJCMWCWCHAJWAP-HBMCJLEFSA-N 0 0 526.759 5.342 50 10 KKCARN CCCc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000019793907 553616676 /nfs/dbraw/zinc/61/66/76/553616676.db2.gz YKNMOOSOMQCHJZ-UHFFFAOYSA-N 0 0 505.577 7.376 50 10 KKCARN CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=N)S1)c1ccccc1 ZINC000020238909 553624250 /nfs/dbraw/zinc/62/42/50/553624250.db2.gz UNLWJENIKQGUBF-QCINRIMRSA-N 0 0 515.551 5.676 50 10 KKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)o1 ZINC000020238856 553624277 /nfs/dbraw/zinc/62/42/77/553624277.db2.gz OVDPJXNELGMPRV-KHCNQNERSA-N 0 0 503.565 5.673 50 10 KKCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238628 553624306 /nfs/dbraw/zinc/62/43/06/553624306.db2.gz PCCVWKKQJJYJOH-ODLFYWEKSA-N 0 0 506.483 6.288 50 10 KKCARN CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000020730498 553691446 /nfs/dbraw/zinc/69/14/46/553691446.db2.gz QDMFETNTGMTUKA-UHFFFAOYSA-N 0 0 531.166 5.433 50 10 KKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C(=O)OCC)cc3)[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000020731200 553691836 /nfs/dbraw/zinc/69/18/36/553691836.db2.gz ZCKTUWTUUILBOD-WXVAWEFUSA-N 0 0 507.744 6.804 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccccc3CC)ccc21 ZINC000020731819 553692151 /nfs/dbraw/zinc/69/21/51/553692151.db2.gz AQWQLYXCWDSDRL-UHFFFAOYSA-N 0 0 508.776 5.723 50 10 KKCARN CCCN1CCCc2cc(CN(CCCOC(C)C)C(=S)Nc3ccc(C(=O)OCC)cc3)ccc21 ZINC000020731416 553692182 /nfs/dbraw/zinc/69/21/82/553692182.db2.gz QVMVWTNTTUGCIW-UHFFFAOYSA-N 0 0 511.732 6.040 50 10 KKCARN Cc1cccc(C2=NN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)[C@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000089669258 553694207 /nfs/dbraw/zinc/69/42/07/553694207.db2.gz OISDQASRUBSYFE-PMERELPUSA-N 0 0 518.064 7.680 50 10 KKCARN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763043 553696085 /nfs/dbraw/zinc/69/60/85/553696085.db2.gz UDQVFDHGZAWUGK-JTHBVZDNSA-N 0 0 516.233 6.148 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020763913 553696381 /nfs/dbraw/zinc/69/63/81/553696381.db2.gz IGLPEVYRQKXAIM-VWNXMTODSA-N 0 0 520.254 7.083 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764620 553696649 /nfs/dbraw/zinc/69/66/49/553696649.db2.gz FJGSSBRNIJTKMB-RCZVLFRGSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764624 553696727 /nfs/dbraw/zinc/69/67/27/553696727.db2.gz FJGSSBRNIJTKMB-RDGATRHJSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3c(F)cccc3Cl)N2)c1O ZINC000020765259 553697053 /nfs/dbraw/zinc/69/70/53/553697053.db2.gz ADRIGWDKARVMIG-HYBUGGRVSA-N 0 0 503.799 6.568 50 10 KKCARN [O-]c1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000021486945 553709916 /nfs/dbraw/zinc/70/99/16/553709916.db2.gz RURRBFRAODPVNC-VWLOTQADSA-N 0 0 515.938 6.663 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@H](C)C4)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000096022129 553719586 /nfs/dbraw/zinc/71/95/86/553719586.db2.gz TWQCQKKQLNFFAO-KRWDZBQOSA-N 0 0 592.161 7.747 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096288533 553739978 /nfs/dbraw/zinc/73/99/78/553739978.db2.gz QLHMIMPAHNPGBO-UHFFFAOYSA-N 0 0 529.530 6.390 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000096325064 553752109 /nfs/dbraw/zinc/75/21/09/553752109.db2.gz KZWBGUXNUSAWDF-NBGIEHNGSA-N 0 0 513.363 5.644 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C3=C2C(=O)N(c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1 ZINC000096593631 553756660 /nfs/dbraw/zinc/75/66/60/553756660.db2.gz JIXRIPWIWLNIGO-BLAQDLHCSA-N 0 0 524.664 7.899 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000097944205 553769038 /nfs/dbraw/zinc/76/90/38/553769038.db2.gz LEOHXCXWEZKLJX-UHFFFAOYSA-N 0 0 539.700 5.439 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 ZINC000097944198 553769041 /nfs/dbraw/zinc/76/90/41/553769041.db2.gz SLMZFIAWGSSHJC-NDENLUEZSA-N 0 0 530.096 5.626 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(-c5ccccc5)cc4)C3=O)o2)cc1 ZINC000097944384 553769403 /nfs/dbraw/zinc/76/94/03/553769403.db2.gz IJFZWOPUBCKRTD-WMMMYUQOSA-N 0 0 537.615 8.262 50 10 KKCARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C ZINC000097944931 553770312 /nfs/dbraw/zinc/77/03/12/553770312.db2.gz UYGDANYJWWJWBD-STZFKDTASA-N 0 0 540.538 6.007 50 10 KKCARN O=C(C1=NN(c2ccccc2)/C(=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)S1)c1ccc2ccccc2c1 ZINC000097944956 553770325 /nfs/dbraw/zinc/77/03/25/553770325.db2.gz UJQNPHZOVIMGEX-RIHQVDFKSA-N 0 0 550.643 7.252 50 10 KKCARN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1c2ccccc2Sc2ccccc21 ZINC000097945926 553775398 /nfs/dbraw/zinc/77/53/98/553775398.db2.gz YCTUFICLNNTSNT-XQNSMLJCSA-N 0 0 523.104 7.151 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCN3CCN(C(=O)CCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000097945913 553775435 /nfs/dbraw/zinc/77/54/35/553775435.db2.gz LMGAUCCBCGZGSA-HONQWNAWSA-N 0 0 736.023 5.227 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(Br)cc(Br)cc3Br)C2=O)cc1 ZINC000097945901 553775451 /nfs/dbraw/zinc/77/54/51/553775451.db2.gz WIBSAVOAKNIMQE-PXNMLYILSA-N 0 0 619.198 6.513 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000097945923 553775454 /nfs/dbraw/zinc/77/54/54/553775454.db2.gz DGIIJWCTLJUBEZ-ZDSKVHJSSA-N 0 0 776.859 5.917 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000097946071 553776449 /nfs/dbraw/zinc/77/64/49/553776449.db2.gz ZGIWLBUEKJLXGS-UFAQQFSPSA-N 0 0 584.605 7.728 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000097946069 553776459 /nfs/dbraw/zinc/77/64/59/553776459.db2.gz XDVSAYNXPMCTMC-LIAPLOTISA-N 0 0 540.154 7.619 50 10 KKCARN COc1ccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000097946093 553776498 /nfs/dbraw/zinc/77/64/98/553776498.db2.gz OVUOYVOIGVHTEP-JCMHNJIXSA-N 0 0 594.765 5.769 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCc3ccc(Cl)cc3)C2=O)cc1 ZINC000097946132 553776955 /nfs/dbraw/zinc/77/69/55/553776955.db2.gz YXEYCZPPZSABPC-JLPGSUDCSA-N 0 0 580.156 6.922 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000097946275 553777943 /nfs/dbraw/zinc/77/79/43/553777943.db2.gz LPRHIOLINQTSSS-OFWBYEQRSA-N 0 0 599.778 7.179 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1Br ZINC000097946352 553778674 /nfs/dbraw/zinc/77/86/74/553778674.db2.gz QWYOBQBLDRMPMT-UCQKPKSFSA-N 0 0 625.957 6.510 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000097946366 553778691 /nfs/dbraw/zinc/77/86/91/553778691.db2.gz ULYRVRCJKHBCPT-UQQQWYQISA-N 0 0 618.762 5.716 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000097946356 553778697 /nfs/dbraw/zinc/77/86/97/553778697.db2.gz WKKSIPDOVKNRFX-USHMODERSA-N 0 0 571.724 6.399 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4cccc(C)c4)c(OC)c3)SC2=S)cc1OC ZINC000097946357 553778709 /nfs/dbraw/zinc/77/87/09/553778709.db2.gz QAIWDESRYNOPIV-ONUIUJJFSA-N 0 0 549.670 5.684 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1C ZINC000097946397 553778989 /nfs/dbraw/zinc/77/89/89/553778989.db2.gz GSCLDFIRJQYUID-VEILYXNESA-N 0 0 571.724 6.317 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946449 553779500 /nfs/dbraw/zinc/77/95/00/553779500.db2.gz MWHMURHQZTVEIY-YUMHPJSZSA-N 0 0 594.589 8.426 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000097946481 553779783 /nfs/dbraw/zinc/77/97/83/553779783.db2.gz LNSNNNJNDCOACV-YKQZZPSBSA-N 0 0 579.487 8.231 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1F ZINC000097946489 553779824 /nfs/dbraw/zinc/77/98/24/553779824.db2.gz RDPBBQHCUOGSSN-VEILYXNESA-N 0 0 589.714 6.538 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1F ZINC000097946490 553779827 /nfs/dbraw/zinc/77/98/27/553779827.db2.gz HVHHPPYOBGEAEZ-VPBNWZFVSA-N 0 0 529.662 7.040 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(Cc4ccccc4F)C3=O)SC2=S)cc1OC ZINC000097946516 553780028 /nfs/dbraw/zinc/78/00/28/553780028.db2.gz MHJMXWACEWABFM-IZHYLOQSSA-N 0 0 534.634 5.204 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)cc1 ZINC000097946544 553780273 /nfs/dbraw/zinc/78/02/73/553780273.db2.gz ITHQVEORPFRVMX-RQZHXJHFSA-N 0 0 557.697 5.111 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl ZINC000097946567 553780302 /nfs/dbraw/zinc/78/03/02/553780302.db2.gz KSEWEHGOLWQKFZ-QQXSKIMKSA-N 0 0 562.116 7.001 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(Cl)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000097946587 553780537 /nfs/dbraw/zinc/78/05/37/553780537.db2.gz CXBNOSMWZSIJIN-JWGURIENSA-N 0 0 602.097 5.344 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000097946729 553781295 /nfs/dbraw/zinc/78/12/95/553781295.db2.gz YUBQPIMPTAIEJX-IOGUJBTOSA-N 0 0 553.709 6.499 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC(=S)N1Cc1ccc(F)cc1 ZINC000097946826 553781882 /nfs/dbraw/zinc/78/18/82/553781882.db2.gz LKVWRBAKIKYRFJ-XHPQRKPJSA-N 0 0 570.715 5.694 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000097946922 553782349 /nfs/dbraw/zinc/78/23/49/553782349.db2.gz MJLMHPITYPXZMG-OYKKKHCWSA-N 0 0 682.632 7.640 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)SC2=S)cc1OC ZINC000097946951 553782356 /nfs/dbraw/zinc/78/23/56/553782356.db2.gz APICFGVWTQKZOY-IMRQLAEWSA-N 0 0 541.698 6.309 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000097946963 553782624 /nfs/dbraw/zinc/78/26/24/553782624.db2.gz IFNKQOGYAPHXEY-NOIBUUJFSA-N 0 0 548.513 6.593 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1sc2ccccc2c1Cl ZINC000097946955 553782658 /nfs/dbraw/zinc/78/26/58/553782658.db2.gz JXQUXQMEFFVHIR-JWGURIENSA-N 0 0 536.099 7.218 50 10 KKCARN Cc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=C4\SC(=S)N(Cc5ccccc5)C4=O)cc3)sc2c1 ZINC000097946958 553782664 /nfs/dbraw/zinc/78/26/64/553782664.db2.gz YFLDYHFCOMNQRP-HMAPJEAMSA-N 0 0 536.099 7.484 50 10 KKCARN CC(C)CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947040 553783093 /nfs/dbraw/zinc/78/30/93/553783093.db2.gz ZKLXPBRMHZFPHR-DUBROFONSA-N 0 0 557.952 6.325 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947028 553783147 /nfs/dbraw/zinc/78/31/47/553783147.db2.gz YLQGHZGOXUILKN-NREQPHGOSA-N 0 0 642.029 8.307 50 10 KKCARN COc1ccc(C(=O)N[C@@H](Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000097947049 553783348 /nfs/dbraw/zinc/78/33/48/553783348.db2.gz IETXTTCGSKMYTI-FGSNJIQSSA-N 0 0 621.995 6.644 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000097947083 553783646 /nfs/dbraw/zinc/78/36/46/553783646.db2.gz KAUYZKDCKQJLCS-UQQQWYQISA-N 0 0 571.680 5.426 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000097947160 553784105 /nfs/dbraw/zinc/78/41/05/553784105.db2.gz KGDILVPTOFOTGD-SWKFRHMKSA-N 0 0 548.712 6.863 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Oc1cc2sc(=O)oc2c(-c2ccc(Br)cc2)c1 ZINC000097947148 553784180 /nfs/dbraw/zinc/78/41/80/553784180.db2.gz TZPIEOUDCPNNJL-NHDPSOOVSA-N 0 0 632.966 7.134 50 10 KKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947204 553784446 /nfs/dbraw/zinc/78/44/46/553784446.db2.gz ZZTWOBOJNYKEKW-KROWPABHSA-N 0 0 594.589 8.425 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCc1ccccc1 ZINC000097947184 553784518 /nfs/dbraw/zinc/78/45/18/553784518.db2.gz AGLRRKGVSZAJQR-YQYKVWLJSA-N 0 0 591.733 7.701 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000097947430 553786023 /nfs/dbraw/zinc/78/60/23/553786023.db2.gz IBLGSDYNDYJJTB-HGFJFHOVSA-N 0 0 580.779 6.424 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(=O)N4CCC(Cc5ccccc5)CC4)c4ccccc4n3)CC2)cc1 ZINC000025151181 553796665 /nfs/dbraw/zinc/79/66/65/553796665.db2.gz CRLXQIIUMRYTQL-UHFFFAOYSA-N 0 0 520.677 5.665 50 10 KKCARN Cc1cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000025398323 553808562 /nfs/dbraw/zinc/80/85/62/553808562.db2.gz NSTQGIDPSVLDCZ-UHFFFAOYSA-N 0 0 505.348 7.121 50 10 KKCARN Cc1cc(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000025424428 553808929 /nfs/dbraw/zinc/80/89/29/553808929.db2.gz QNNNZBYYRUZIHY-UHFFFAOYSA-N 0 0 519.592 7.486 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000026533672 553819153 /nfs/dbraw/zinc/81/91/53/553819153.db2.gz XHHXFJDYVKSIAZ-WCDSNYISSA-N 0 0 526.772 5.903 50 10 KKCARN CCCCCCOc1ccccc1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000026532043 553819167 /nfs/dbraw/zinc/81/91/67/553819167.db2.gz XCYWIQQAWVLXSR-PTGBLXJZSA-N 0 0 507.681 5.849 50 10 KKCARN Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000026580604 553819802 /nfs/dbraw/zinc/81/98/02/553819802.db2.gz YIQHLFYAXBXMJM-UEMQBUKZSA-N 0 0 505.603 5.696 50 10 KKCARN CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)c1 ZINC000026608344 553819806 /nfs/dbraw/zinc/81/98/06/553819806.db2.gz AMTWSQORUYKFFQ-XPCCUAIDSA-N 0 0 524.646 5.991 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000026687028 553819977 /nfs/dbraw/zinc/81/99/77/553819977.db2.gz XOLQCCNDBURUIZ-QKYYUXOMSA-N 0 0 511.665 5.592 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000026675881 553820025 /nfs/dbraw/zinc/82/00/25/553820025.db2.gz AXQVVKUVTAPIKS-ZXLLOHKYSA-N 0 0 516.554 5.111 50 10 KKCARN Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000026842199 553821698 /nfs/dbraw/zinc/82/16/98/553821698.db2.gz YGLDPDBBLWLUTI-UQQQWYQISA-N 0 0 518.560 7.852 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000027019838 553823754 /nfs/dbraw/zinc/82/37/54/553823754.db2.gz WCEOFRKELRRQAN-SXBRIOAWSA-N 0 0 524.624 7.163 50 10 KKCARN COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000027519534 553826684 /nfs/dbraw/zinc/82/66/84/553826684.db2.gz WTGAEGJBMJFFMB-MTJSOVHGSA-N 0 0 515.569 5.838 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N=C2c2ccc(OC)c(Br)c2)cc1 ZINC000027522261 553828794 /nfs/dbraw/zinc/82/87/94/553828794.db2.gz DDWKFMOFLODHKZ-BKUYFWCQSA-N 0 0 508.328 5.209 50 10 KKCARN Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O ZINC000027531863 553831978 /nfs/dbraw/zinc/83/19/78/553831978.db2.gz NHPUIYWNSXAXRR-XSFVSMFZSA-N 0 0 508.459 5.063 50 10 KKCARN Cc1ccc(OCCOCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1C ZINC000027533828 553832330 /nfs/dbraw/zinc/83/23/30/553832330.db2.gz CSHASSQKLKDHHB-CLKZTBQTSA-N 0 0 506.628 5.053 50 10 KKCARN Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c1 ZINC000027546804 553833062 /nfs/dbraw/zinc/83/30/62/553833062.db2.gz YAPJGTPAGIDAPT-CLYRCMFSSA-N 0 0 525.678 6.537 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000027549696 553833795 /nfs/dbraw/zinc/83/37/95/553833795.db2.gz DUJJIKLERKPHCP-AZXCGQPLSA-N 0 0 500.983 5.732 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl ZINC000027549890 553834384 /nfs/dbraw/zinc/83/43/84/553834384.db2.gz STGZZESZNJXXHR-OXKWKCLKSA-N 0 0 527.046 5.862 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000027549894 553834402 /nfs/dbraw/zinc/83/44/02/553834402.db2.gz DSEQJSGPXPGPCW-XXHFGZKOSA-N 0 0 527.046 5.843 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029491846 553845171 /nfs/dbraw/zinc/84/51/71/553845171.db2.gz MCJOCINLOZBLBP-XRQYFHGVSA-N 0 0 608.743 6.000 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029492522 553845786 /nfs/dbraw/zinc/84/57/86/553845786.db2.gz QVTDIRLIHNBIHW-QJNTYGNZSA-N 0 0 668.263 7.710 50 10 KKCARN CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(O)c4c3C(=O)c3c(NC(=O)c5ccc(CCCC)cc5)ccc(O)c3C4=O)cc2)CC1 ZINC000029493261 553846249 /nfs/dbraw/zinc/84/62/49/553846249.db2.gz LMXBRTSKBKBSSM-UHFFFAOYSA-N 0 0 686.849 9.575 50 10 KKCARN COc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097957725 553847774 /nfs/dbraw/zinc/84/77/74/553847774.db2.gz JMSPOLDAAXIREW-XIROQAEMSA-N 0 0 551.628 5.427 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCCOc1cc(C)ccc1C ZINC000097957825 553848785 /nfs/dbraw/zinc/84/87/85/553848785.db2.gz GNYHOTXUMUFHLZ-LFVJCYFKSA-N 0 0 549.465 6.729 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000097957927 553849767 /nfs/dbraw/zinc/84/97/67/553849767.db2.gz AWUHWLINIXVHIN-PCLIKHOPSA-N 0 0 549.465 6.729 50 10 KKCARN CCCCCCc1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097958014 553850437 /nfs/dbraw/zinc/85/04/37/553850437.db2.gz WSECBGRRUVNPKL-HFTWOUSFSA-N 0 0 582.187 8.335 50 10 KKCARN CCCCCCc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000097958114 553851441 /nfs/dbraw/zinc/85/14/41/553851441.db2.gz QHOUTIVJCFQBEL-GLCLLZDNSA-N 0 0 566.727 7.243 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097958158 553851751 /nfs/dbraw/zinc/85/17/51/553851751.db2.gz FAWBLPNMSNKLKT-SDTLSOCHSA-N 0 0 611.521 7.166 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)ccc1OCc1cccc(C)c1 ZINC000097958164 553851772 /nfs/dbraw/zinc/85/17/72/553851772.db2.gz HENNNCPCAQZGRF-YKPJJRJESA-N 0 0 528.659 6.093 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCCOc1c(C)cccc1C ZINC000097958518 553855548 /nfs/dbraw/zinc/85/55/48/553855548.db2.gz MPILYHVXJAECLY-LFVJCYFKSA-N 0 0 549.465 6.729 50 10 KKCARN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000097958875 553858391 /nfs/dbraw/zinc/85/83/91/553858391.db2.gz ROZMYTZYHIYJLH-NDENLUEZSA-N 0 0 536.483 6.475 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1Cl ZINC000097959073 553860380 /nfs/dbraw/zinc/86/03/80/553860380.db2.gz MMZMMLORHIRJNI-KXOHBXMWSA-N 0 0 549.834 5.208 50 10 KKCARN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000097959111 553860650 /nfs/dbraw/zinc/86/06/50/553860650.db2.gz LSPJWXGIEOQSDG-ITYLOYPMSA-N 0 0 568.123 8.107 50 10 KKCARN N=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000097959160 553861327 /nfs/dbraw/zinc/86/13/27/553861327.db2.gz FUYCLLJZVQALTG-GXKZLSASSA-N 0 0 560.466 6.695 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000097959154 553861416 /nfs/dbraw/zinc/86/14/16/553861416.db2.gz NSNDNHVGUPXWIX-KOEQRZSOSA-N 0 0 526.079 6.598 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097959221 553861747 /nfs/dbraw/zinc/86/17/47/553861747.db2.gz YMWOZWKFZUFABD-NQSFVREOSA-N 0 0 557.503 7.171 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000097959205 553861776 /nfs/dbraw/zinc/86/17/76/553861776.db2.gz QBYNFMAJNNLZPQ-IWIPYMOSSA-N 0 0 574.493 6.851 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=N)S1 ZINC000031932579 553861961 /nfs/dbraw/zinc/86/19/61/553861961.db2.gz NLKOXNDAAIRPLN-OZFLQLRCSA-N 0 0 511.390 6.260 50 10 KKCARN N=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000032109367 553862937 /nfs/dbraw/zinc/86/29/37/553862937.db2.gz QQGOBXVYYRMAFA-YQJYZDSNSA-N 0 0 507.402 6.240 50 10 KKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(OC)c(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097959404 553863254 /nfs/dbraw/zinc/86/32/54/553863254.db2.gz PRHFMEAJYMMSBM-TYLRRPGRSA-N 0 0 536.654 5.669 50 10 KKCARN CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCCOc4ccccc4OC)cc3)SC2=S)cc1 ZINC000097959403 553863379 /nfs/dbraw/zinc/86/33/79/553863379.db2.gz HQPQBMPRJFEYLT-OOAXWGSJSA-N 0 0 563.697 6.516 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000097959675 553865486 /nfs/dbraw/zinc/86/54/86/553865486.db2.gz QAKBYBKKMYADED-PVPFEYIBSA-N 0 0 584.141 5.498 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCc1cccc(C)c1 ZINC000097960174 553868853 /nfs/dbraw/zinc/86/88/53/553868853.db2.gz PVPYJNUHHWKGBG-GLEKVNMISA-N 0 0 622.488 6.163 50 10 KKCARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)c(Cl)c1 ZINC000097961090 553875194 /nfs/dbraw/zinc/87/51/94/553875194.db2.gz XGIYFYQDWCOXPJ-YBFXNURJSA-N 0 0 522.957 6.473 50 10 KKCARN Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000097961101 553875335 /nfs/dbraw/zinc/87/53/35/553875335.db2.gz GAMSNQUSXINDAS-SRZZPIQSSA-N 0 0 550.027 6.621 50 10 KKCARN Cc1cc(C(=O)COC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000032910261 553875848 /nfs/dbraw/zinc/87/58/48/553875848.db2.gz WSURENKRQRJHEE-UHFFFAOYSA-N 0 0 508.315 5.263 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000097961838 553881136 /nfs/dbraw/zinc/88/11/36/553881136.db2.gz OUVXFSDLBTZYOT-FSJBWODESA-N 0 0 672.393 7.990 50 10 KKCARN CCCCc1ccc(/N=N/c2ccc(OC(=O)c3cc(N)c4c(c3N)C(=O)c3ccccc3C4=O)cc2C)cc1 ZINC000097961921 553881745 /nfs/dbraw/zinc/88/17/45/553881745.db2.gz MFUWHYMHACCYKH-ULDVOPSXSA-N 0 0 532.600 6.912 50 10 KKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000097961964 553881912 /nfs/dbraw/zinc/88/19/12/553881912.db2.gz XVDIXNRJSRKYQW-ATXIYDNESA-N 0 0 524.584 9.022 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000097962114 553883097 /nfs/dbraw/zinc/88/30/97/553883097.db2.gz APVOVPTZUKDKMQ-HZHRSRAPSA-N 0 0 525.051 5.864 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)SC1=S)c1ccccc1 ZINC000097962154 553883347 /nfs/dbraw/zinc/88/33/47/553883347.db2.gz ITVNEHHWOSNMSC-JAIQZWGSSA-N 0 0 767.235 7.328 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097962152 553883358 /nfs/dbraw/zinc/88/33/58/553883358.db2.gz QLJOIISILDCCQM-XYGWBWBKSA-N 0 0 605.535 6.736 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000097962210 553883890 /nfs/dbraw/zinc/88/38/90/553883890.db2.gz ATKIMRHEZVASLE-UFFVCSGVSA-N 0 0 646.330 7.731 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CCCC4)cc1 ZINC000033040526 553893491 /nfs/dbraw/zinc/89/34/91/553893491.db2.gz DBPGWALFYDBQIX-HHHXNRCGSA-N 0 0 517.098 7.274 50 10 KKCARN CN(C)c1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CCCC4)cc1 ZINC000033040528 553893573 /nfs/dbraw/zinc/89/35/73/553893573.db2.gz CEMTZRIDMKAMJC-MHZLTWQESA-N 0 0 517.098 7.274 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c(C)c1 ZINC000033040592 553893818 /nfs/dbraw/zinc/89/38/18/553893818.db2.gz WDMRTNHKKDQABM-GDLZYMKVSA-N 0 0 510.707 7.238 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CCCC4)cc1 ZINC000033040613 553893980 /nfs/dbraw/zinc/89/39/80/553893980.db2.gz WQSUXGUMDGQOLP-HHHXNRCGSA-N 0 0 518.633 6.899 50 10 KKCARN CCc1ccccc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 ZINC000033051213 553895971 /nfs/dbraw/zinc/89/59/71/553895971.db2.gz RXCUTESPZFPULQ-WJOKGBTCSA-N 0 0 530.676 6.737 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000097964115 553896256 /nfs/dbraw/zinc/89/62/56/553896256.db2.gz ILHOEPZCUXGXHL-QARYAGPDSA-N 0 0 583.607 5.364 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(Br)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965144 553903034 /nfs/dbraw/zinc/90/30/34/553903034.db2.gz BADOSCREKVTTDG-IQEFUEHOSA-N 0 0 557.536 7.018 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4cc(Cl)c(OCCOc5ccc(C)c(C)c5)c(Cl)c4)C3=N)S2)cc1 ZINC000097966237 553907585 /nfs/dbraw/zinc/90/75/85/553907585.db2.gz TUXTYFKMLKOEDR-WGFMODILSA-N 0 0 579.509 7.044 50 10 KKCARN CCCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21 ZINC000097966577 553909317 /nfs/dbraw/zinc/90/93/17/553909317.db2.gz HKDKEPNQENQBPT-QNGOZBTKSA-N 0 0 626.292 6.109 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(C5CCCCC5)cc4)c4ccccc34)C2=N)S1 ZINC000033148387 553911366 /nfs/dbraw/zinc/91/13/66/553911366.db2.gz VIDFDIRONCNNNR-QJBIZGQHSA-N 0 0 525.678 6.797 50 10 KKCARN CCc1ccccc1OCCn1cccc1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O ZINC000033157386 553911852 /nfs/dbraw/zinc/91/18/52/553911852.db2.gz FQBSLHMCRBMRQQ-DZNPVLHISA-N 0 0 515.664 5.640 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cccc(C)c1)[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266836 553917470 /nfs/dbraw/zinc/91/74/70/553917470.db2.gz OFQLPUZUVWRYCJ-PMERELPUSA-N 0 0 516.649 6.483 50 10 KKCARN O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000033353275 553924188 /nfs/dbraw/zinc/92/41/88/553924188.db2.gz KACLMQTVILYMNG-JMIUGGIZSA-N 0 0 547.492 6.720 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000033354378 553929555 /nfs/dbraw/zinc/92/95/55/553929555.db2.gz QWDQEBZBGACGGE-LJAQVGFWSA-N 0 0 578.141 7.463 50 10 KKCARN CCCCc1ccc(N(C(C)=O)c2cc3c4cc(CCCC)ccc4[nH]c3c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000033354398 553929805 /nfs/dbraw/zinc/92/98/05/553929805.db2.gz YHDIJXLVGILIHP-UHFFFAOYSA-N 0 0 542.679 8.466 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000033355090 553932898 /nfs/dbraw/zinc/93/28/98/553932898.db2.gz ICAVRYIXMKMQNC-LJAQVGFWSA-N 0 0 583.113 6.455 50 10 KKCARN CCn1c2ccccc2c2cc(/C=C3\C(=O)N(c4nc(-c5ccc(C)cc5)cs4)N=C3c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000033358269 553954227 /nfs/dbraw/zinc/95/42/27/553954227.db2.gz GHHIIFXHMJRLAO-USHMODERSA-N 0 0 583.673 7.989 50 10 KKCARN O=C(c1ccccc1)c1cc(Cl)ccc1N[C@H](O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000033358601 553956999 /nfs/dbraw/zinc/95/69/99/553956999.db2.gz OXHXBWLHGWRMRA-LZCXECNNSA-N 0 0 605.842 7.293 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000033358651 553957325 /nfs/dbraw/zinc/95/73/25/553957325.db2.gz VNILQWRKSXKHNR-RRAHZORUSA-N 0 0 671.622 8.211 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033662660 553966738 /nfs/dbraw/zinc/96/67/38/553966738.db2.gz VCDWHGPNNYMFCP-NGDRWEMDSA-N 0 0 513.568 6.450 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000033677432 553967693 /nfs/dbraw/zinc/96/76/93/553967693.db2.gz CKNHKHGTLAOUAX-MYYYXRDXSA-N 0 0 518.660 5.731 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033894176 553976014 /nfs/dbraw/zinc/97/60/14/553976014.db2.gz ORJMQUDNEAYLLH-DYIKCSJPSA-N 0 0 511.577 6.012 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000034378824 553981507 /nfs/dbraw/zinc/98/15/07/553981507.db2.gz JGTSLLHKEPJLRG-FCEKVYKBSA-N 0 0 517.606 6.073 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097979960 553983930 /nfs/dbraw/zinc/98/39/30/553983930.db2.gz XJVWZSUDCMTEDP-QRROTLBISA-N 0 0 559.179 7.387 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1OC ZINC000034687914 553989136 /nfs/dbraw/zinc/98/91/36/553989136.db2.gz WZUQJWRZMVYFDO-UHFFFAOYSA-N 0 0 530.668 7.422 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000034703279 553993123 /nfs/dbraw/zinc/99/31/23/553993123.db2.gz IZDAMYDUYRDDEU-QRQIAZFYSA-N 0 0 511.668 7.450 50 10 KKCARN O=S(=O)(Nc1ccc(O)c(C2=C(N3CCOCC3)/C(=C\c3ccc(Br)cc3)CC2)c1)c1ccccc1 ZINC000097983367 554008761 /nfs/dbraw/zinc/00/87/61/554008761.db2.gz PSIZZZQDUCZNOI-UZYVYHOESA-N 0 0 567.505 5.876 50 10 KKCARN Cc1c(C(=S)N=P(C2CCCCC2)(N2CCOCC2)N2CCOCC2)c2ccccn2c1C(=S)N=P(C1CCCCC1)(N1CCOCC1)N1CCOCC1 ZINC000097984824 554018545 /nfs/dbraw/zinc/01/85/45/554018545.db2.gz PVARMLYOJJOBOZ-UHFFFAOYSA-N 0 0 818.044 7.655 50 10 KKCARN Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000035073905 554034022 /nfs/dbraw/zinc/03/40/22/554034022.db2.gz PMIIYVMVGLIHTE-VHLAIDERSA-N 0 0 500.455 6.600 50 10 KKCARN COc1ccc(OC)c(-n2c(C)c(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2-c2ccccc2)c1 ZINC000035074676 554034102 /nfs/dbraw/zinc/03/41/02/554034102.db2.gz AHWOZNWESJBJHW-SSEXGKCCSA-N 0 0 516.641 7.184 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(I)cc1 ZINC000097996141 554038347 /nfs/dbraw/zinc/03/83/47/554038347.db2.gz KIXPPMHBIXCKAZ-FYBSXPHGSA-N 0 0 610.403 6.030 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3N(C(=O)COc3ccc(F)cc3)C(C)(C)C2=S)S1 ZINC000097996167 554038348 /nfs/dbraw/zinc/03/83/48/554038348.db2.gz HKZHRHQHFLXDNV-UHFFFAOYSA-N 0 0 589.688 5.115 50 10 KKCARN CCN(CC)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1 ZINC000035168336 554040407 /nfs/dbraw/zinc/04/04/07/554040407.db2.gz VSBPZZZXDFFXPF-QHCPKHFHSA-N 0 0 513.479 7.666 50 10 KKCARN COC(=O)c1c(C)sc(C(c2cc(Br)cs2)c2sc(C)c(C(=O)OC)c2O)c1O ZINC000098007344 554063541 /nfs/dbraw/zinc/06/35/41/554063541.db2.gz HVJCMIHRPXKCFS-UHFFFAOYSA-N 0 0 517.444 5.415 50 10 KKCARN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1C ZINC000035761002 554070983 /nfs/dbraw/zinc/07/09/83/554070983.db2.gz AYAUGMRHUCNFFZ-UHFFFAOYSA-N 0 0 524.709 6.056 50 10 KKCARN Cc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1F ZINC000035829092 554079335 /nfs/dbraw/zinc/07/93/35/554079335.db2.gz LWGIPFHKZMJMAF-JXMROGBWSA-N 0 0 514.044 6.716 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000035851485 554083605 /nfs/dbraw/zinc/08/36/05/554083605.db2.gz RMFNDXKXJHGKTF-SSBOKUKZSA-N 0 0 514.556 5.845 50 10 KKCARN CCc1cccc2c([C@H](CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888983 554089719 /nfs/dbraw/zinc/08/97/19/554089719.db2.gz RXRJDDFCWZWBCY-AREMUKBSSA-N 0 0 511.622 5.338 50 10 KKCARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CCN(c5ccc(OC)cc5)CC4)n3)cc2)C1 ZINC000098015342 554098092 /nfs/dbraw/zinc/09/80/92/554098092.db2.gz DZMUUNUMXGUZAU-MHZLTWQESA-N 0 0 603.789 5.136 50 10 KKCARN Cc1c(C(=O)N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000098019748 554114391 /nfs/dbraw/zinc/11/43/91/554114391.db2.gz OVXYQHDCCPHIDD-UHFFFAOYSA-N 0 0 541.583 5.798 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2c2ccccc2)cc(OC)c1O ZINC000036046631 554153776 /nfs/dbraw/zinc/15/37/76/554153776.db2.gz RRTFIPRSMILXKB-LZYBPNLTSA-N 0 0 503.769 6.204 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000098047993 554158344 /nfs/dbraw/zinc/15/83/44/554158344.db2.gz NPJJKXUQWPUSMV-HSZRJFAPSA-N 0 0 559.157 5.098 50 10 KKCARN COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1 ZINC000036056331 554159892 /nfs/dbraw/zinc/15/98/92/554159892.db2.gz VVPFBYDGSKZHTF-IXCJQBJRSA-N 0 0 521.448 5.662 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(I)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccccc1 ZINC000098048828 554162141 /nfs/dbraw/zinc/16/21/41/554162141.db2.gz MWUMABFFXNCEIA-RNAHPLFWSA-N 0 0 610.403 6.030 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000098049046 554162718 /nfs/dbraw/zinc/16/27/18/554162718.db2.gz QKUAETQSWNJICT-HVDVVURSSA-N 0 0 632.182 5.495 50 10 KKCARN CC(C)CC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000100083362 554207754 /nfs/dbraw/zinc/20/77/54/554207754.db2.gz ZKLXPBRMHZFPHR-OOIVEFLKSA-N 0 0 557.952 6.325 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)C(C)(C)C2=S)S1 ZINC000100114739 554222860 /nfs/dbraw/zinc/22/28/60/554222860.db2.gz YNDNTZBFHRDMHI-UHFFFAOYSA-N 0 0 595.551 6.900 50 10 KKCARN CCCC(CCC)C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C ZINC000100118747 554224123 /nfs/dbraw/zinc/22/41/23/554224123.db2.gz LSZOCDZWJYFKSA-UHFFFAOYSA-N 0 0 563.763 6.113 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 ZINC000036533803 554224971 /nfs/dbraw/zinc/22/49/71/554224971.db2.gz NYTVPOVKLSLXOR-XLRXOERISA-N 0 0 518.708 5.448 50 10 KKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000100147660 554230684 /nfs/dbraw/zinc/23/06/84/554230684.db2.gz AJTFMAIQZIEPFQ-MWAVMZGNSA-N 0 0 524.580 7.526 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000100148902 554230984 /nfs/dbraw/zinc/23/09/84/554230984.db2.gz BWOWWNUNCWWQPW-HMAPJEAMSA-N 0 0 545.846 5.622 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)CC(C)(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037422461 554243134 /nfs/dbraw/zinc/24/31/34/554243134.db2.gz OZCWIPQNHRHWPK-UHFFFAOYSA-N 0 0 518.720 5.730 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000037421858 554243164 /nfs/dbraw/zinc/24/31/64/554243164.db2.gz BBSWNSMHKPGZCP-HXUWFJFHSA-N 0 0 519.708 5.418 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000100188433 554243620 /nfs/dbraw/zinc/24/36/20/554243620.db2.gz YPDYQYUJIKXBIE-AFUMVMLFSA-N 0 0 549.589 7.953 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)c1ccco1 ZINC000037423663 554243689 /nfs/dbraw/zinc/24/36/89/554243689.db2.gz ZYCLVKLBCRNMIB-HXUWFJFHSA-N 0 0 514.644 5.343 50 10 KKCARN CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CC(C)C ZINC000037424032 554243923 /nfs/dbraw/zinc/24/39/23/554243923.db2.gz PMXOAULWEMSQME-OAQYLSRUSA-N 0 0 531.719 5.432 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000100198686 554246342 /nfs/dbraw/zinc/24/63/42/554246342.db2.gz DMNVQHREXZFMRZ-UYRXBGFRSA-N 0 0 555.459 5.287 50 10 KKCARN COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000100199543 554246615 /nfs/dbraw/zinc/24/66/15/554246615.db2.gz LQQIXQDMWOHGAZ-OHUGHZGNSA-N 0 0 530.568 6.350 50 10 KKCARN CCCCC1([C@H]2CC(=O)N(c3cc(F)ccc3F)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000100207117 554248100 /nfs/dbraw/zinc/24/81/00/554248100.db2.gz WCCSKKUVJZYFAV-QFIPXVFZSA-N 0 0 517.532 5.016 50 10 KKCARN CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2cc(Br)c([O-])c(C[NH+]3CCC(C(=O)OCC)(c4ccccc4)CC3)c21 ZINC000100216559 554250632 /nfs/dbraw/zinc/25/06/32/554250632.db2.gz CUAYIJTYDIBCMA-UHFFFAOYSA-N 0 0 633.583 6.989 50 10 KKCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCC(=O)NCCc1ccccc1 ZINC000100225590 554252949 /nfs/dbraw/zinc/25/29/49/554252949.db2.gz VRMCSWIONYSARE-KOEQRZSOSA-N 0 0 562.464 5.392 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000100225562 554252994 /nfs/dbraw/zinc/25/29/94/554252994.db2.gz CWYXLHVRFXUWKI-XKZIYDEJSA-N 0 0 538.431 6.524 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100229453 554255044 /nfs/dbraw/zinc/25/50/44/554255044.db2.gz HDNZYFHCABNGLA-JCMHNJIXSA-N 0 0 556.643 5.163 50 10 KKCARN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000100261038 554265569 /nfs/dbraw/zinc/26/55/69/554265569.db2.gz FUTRQNROCZSOQF-QRVIBDJDSA-N 0 0 524.440 6.052 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000100266480 554266886 /nfs/dbraw/zinc/26/68/86/554266886.db2.gz QHRYBAJQMPJLSU-CGVBMLBPSA-N 0 0 560.657 5.137 50 10 KKCARN Cc1cc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2)ccc1Cl ZINC000100266642 554267191 /nfs/dbraw/zinc/26/71/91/554267191.db2.gz AGRGRBJRMNEVDR-NOPNLZFASA-N 0 0 551.455 6.427 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OC ZINC000100266844 554267199 /nfs/dbraw/zinc/26/71/99/554267199.db2.gz FOESDCWDZCLILP-IYTGCVATSA-N 0 0 593.061 5.513 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100267604 554267668 /nfs/dbraw/zinc/26/76/68/554267668.db2.gz ZVUVAZBDXROFSQ-ICLNSQMZSA-N 0 0 550.467 7.275 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCCOc1ccccc1 ZINC000100269878 554268750 /nfs/dbraw/zinc/26/87/50/554268750.db2.gz HEVCUDNVUSRWQD-JWGURIENSA-N 0 0 589.476 6.163 50 10 KKCARN Cc1c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000100270892 554269660 /nfs/dbraw/zinc/26/96/60/554269660.db2.gz RLSAECYPWHXJRG-FYJGNVAPSA-N 0 0 542.469 6.457 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000038179424 554273916 /nfs/dbraw/zinc/27/39/16/554273916.db2.gz VPYWFDOGBZLODB-NWOZGMPVSA-N 0 0 523.637 6.164 50 10 KKCARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000040221201 554283147 /nfs/dbraw/zinc/28/31/47/554283147.db2.gz HIMDYQBMIFDOCZ-QNGOZBTKSA-N 0 0 517.632 5.779 50 10 KKCARN CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000040221198 554283233 /nfs/dbraw/zinc/28/32/33/554283233.db2.gz YOAJHNVSDPPKIT-CBAAQYGVSA-N 0 0 521.664 5.165 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1OC ZINC000100308625 554297310 /nfs/dbraw/zinc/29/73/10/554297310.db2.gz KDULLCKDYBWJPD-PCLIKHOPSA-N 0 0 570.088 6.029 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100310165 554299924 /nfs/dbraw/zinc/29/99/24/554299924.db2.gz AOOARJNXEBDMKS-UFFVCSGVSA-N 0 0 543.966 6.363 50 10 KKCARN COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000100314603 554302400 /nfs/dbraw/zinc/30/24/00/554302400.db2.gz JFIJASTZLXNVHY-LFVJCYFKSA-N 0 0 522.604 5.463 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000100319840 554304465 /nfs/dbraw/zinc/30/44/65/554304465.db2.gz HRDDRXWEWCPGOB-FSJBWODESA-N 0 0 603.947 6.843 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000100321342 554305855 /nfs/dbraw/zinc/30/58/55/554305855.db2.gz PLUMAMRUDAEERS-WYMPLXKRSA-N 0 0 617.974 7.151 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100323190 554306887 /nfs/dbraw/zinc/30/68/87/554306887.db2.gz QWYCVDFMWIOYPU-YDZHTSKRSA-N 0 0 574.949 7.713 50 10 KKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1Cl ZINC000100327614 554310615 /nfs/dbraw/zinc/31/06/15/554310615.db2.gz YNBTUJYCCCOOMP-FOKLQQMPSA-N 0 0 586.047 5.689 50 10 KKCARN COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000100327436 554310659 /nfs/dbraw/zinc/31/06/59/554310659.db2.gz OJEODNAKNFWMJM-FSJBWODESA-N 0 0 530.498 7.604 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000049605399 554323950 /nfs/dbraw/zinc/32/39/50/554323950.db2.gz MHRTUQSKWZJHQM-FCEKVYKBSA-N 0 0 584.510 6.896 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000100341121 554325413 /nfs/dbraw/zinc/32/54/13/554325413.db2.gz AJBGHVHOBQNWQR-YDZHTSKRSA-N 0 0 560.922 7.486 50 10 KKCARN Cc1cc(C(=O)[C@H](C)OC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000050862511 554328550 /nfs/dbraw/zinc/32/85/50/554328550.db2.gz LZHBDHHVDPSWPP-INIZCTEOSA-N 0 0 535.469 5.879 50 10 KKCARN COc1ccc(-n2c(S[C@@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nc3ccccc32)cc1 ZINC000051103385 554328751 /nfs/dbraw/zinc/32/87/51/554328751.db2.gz RWXKQKWNBCJGFU-FQEVSTJZSA-N 0 0 547.627 7.407 50 10 KKCARN COc1cccc(Nc2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000053254725 554330426 /nfs/dbraw/zinc/33/04/26/554330426.db2.gz CSUIJQQBPPSDRJ-UHFFFAOYSA-N 0 0 581.072 6.646 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000053363436 554345844 /nfs/dbraw/zinc/34/58/44/554345844.db2.gz JRHNXWLRPQAIFU-URXFXBBRSA-N 0 0 530.260 6.538 50 10 KKCARN CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000100362068 554345932 /nfs/dbraw/zinc/34/59/32/554345932.db2.gz CSMFOONLXRRAEZ-CXUHLZMHSA-N 0 0 529.275 6.025 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053363771 554346121 /nfs/dbraw/zinc/34/61/21/554346121.db2.gz XZACGKANWVRSPY-IRLDBZIGSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363882 554346182 /nfs/dbraw/zinc/34/61/82/554346182.db2.gz XZGKMKKOHIAXJV-RBBKRZOGSA-N 0 0 520.652 6.793 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363686 554346233 /nfs/dbraw/zinc/34/62/33/554346233.db2.gz JAKOTBZEDNFTNQ-RBBKRZOGSA-N 0 0 555.097 7.447 50 10 KKCARN Cc1ccc([C@@H]2N=C(c3ccc(Br)cc3)C[C@@H](c3cc(Br)ccc3O)N2)c(C)c1 ZINC000053363901 554346247 /nfs/dbraw/zinc/34/62/47/554346247.db2.gz PYBNMMFBBJIFTL-LADGPHEKSA-N 0 0 514.261 6.757 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053363911 554346472 /nfs/dbraw/zinc/34/64/72/554346472.db2.gz JSXLROCUYBSPBK-RXFWQSSRSA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364038 554346523 /nfs/dbraw/zinc/34/65/23/554346523.db2.gz IYMCCEXUQWAEQF-WNCULLNHSA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364145 554346652 /nfs/dbraw/zinc/34/66/52/554346652.db2.gz COWNNRCVZKUBLQ-SQJMNOBHSA-N 0 0 515.835 6.438 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364309 554346954 /nfs/dbraw/zinc/34/69/54/554346954.db2.gz PYUNEZIHCYKYNM-UPVQGACJSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364390 554347026 /nfs/dbraw/zinc/34/70/26/554347026.db2.gz BAXUCGYUXLJKSF-LADGPHEKSA-N 0 0 503.799 6.568 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000053364531 554347314 /nfs/dbraw/zinc/34/73/14/554347314.db2.gz NRGHEBWZFTYVKU-IRLDBZIGSA-N 0 0 520.652 6.793 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364722 554347350 /nfs/dbraw/zinc/34/73/50/554347350.db2.gz ZBHUDMMTHQOZRG-GMAHTHKFSA-N 0 0 518.224 6.587 50 10 KKCARN COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000100363157 554347522 /nfs/dbraw/zinc/34/75/22/554347522.db2.gz BDQSAXCQCMWFLI-JLPGSUDCSA-N 0 0 521.067 6.839 50 10 KKCARN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)SC(=S)N1c1ccccc1 ZINC000100393975 554368012 /nfs/dbraw/zinc/36/80/12/554368012.db2.gz XEHNBXFMNLYXFY-QRVIBDJDSA-N 0 0 522.482 7.311 50 10 KKCARN COc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 ZINC000058993178 554371533 /nfs/dbraw/zinc/37/15/33/554371533.db2.gz RYYLZERGLAMCLD-CQEFFZBYSA-N 0 0 536.617 5.181 50 10 KKCARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccc(Cl)cc3Cl)C(=O)c3ccccc3C2=O)c1 ZINC000100414207 554378363 /nfs/dbraw/zinc/37/83/63/554378363.db2.gz AFEBCXQEDIVCCZ-XPWALMASSA-N 0 0 520.368 5.305 50 10 KKCARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100414916 554380279 /nfs/dbraw/zinc/38/02/79/554380279.db2.gz QDROOGSYBLGICH-FKBYEOEOSA-N 0 0 550.792 5.106 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000100415588 554381730 /nfs/dbraw/zinc/38/17/30/554381730.db2.gz QDQSFUMAWCMQIU-HBMCJLEFSA-N 0 0 560.311 5.707 50 10 KKCARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100425336 554386320 /nfs/dbraw/zinc/38/63/20/554386320.db2.gz SHVQVTXCVUTPDW-UTONBFNKSA-N 0 0 513.641 7.617 50 10 KKCARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000100425729 554387060 /nfs/dbraw/zinc/38/70/60/554387060.db2.gz GSXSTSJAJNIDQO-OGVWKLGRSA-N 0 0 507.678 7.883 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426411 554388027 /nfs/dbraw/zinc/38/80/27/554388027.db2.gz PFGQXRLMDUQAPJ-AIJWEMPKSA-N 0 0 601.747 8.414 50 10 KKCARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426401 554388045 /nfs/dbraw/zinc/38/80/45/554388045.db2.gz PFGQXRLMDUQAPJ-KWXDVARASA-N 0 0 601.747 8.414 50 10 KKCARN O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100479283 554401545 /nfs/dbraw/zinc/40/15/45/554401545.db2.gz PFOAPSXMUGBCRJ-MTJSOVHGSA-N 0 0 516.522 6.598 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100480306 554401665 /nfs/dbraw/zinc/40/16/65/554401665.db2.gz QENZBUPYVOHXEA-NKFKGCMQSA-N 0 0 611.506 9.784 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100526693 554410219 /nfs/dbraw/zinc/41/02/19/554410219.db2.gz UAODQPVDEVUGOE-VCHYOVAHSA-N 0 0 510.902 6.933 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)/C=C/c1ccc(OC)cc1 ZINC000100534230 554411816 /nfs/dbraw/zinc/41/18/16/554411816.db2.gz HJALSARBBKGMKR-XNTDXEJSSA-N 0 0 611.763 6.009 50 10 KKCARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000059646027 554417169 /nfs/dbraw/zinc/41/71/69/554417169.db2.gz GYZHERLVICRGIR-IMWIBFENSA-N 0 0 539.406 7.640 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3N(C(=O)c3ccccc3Br)C(C)(C)C2=S)S1 ZINC000100562419 554418714 /nfs/dbraw/zinc/41/87/14/554418714.db2.gz YRUFWFWATSOJOD-UHFFFAOYSA-N 0 0 604.569 6.273 50 10 KKCARN O=C1/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000059821311 554431326 /nfs/dbraw/zinc/43/13/26/554431326.db2.gz PXZIYAPESSFIQZ-TYNMYJEDSA-N 0 0 559.738 5.431 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)c3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000059824645 554431773 /nfs/dbraw/zinc/43/17/73/554431773.db2.gz KLQCDYGNUNSJFC-UHFFFAOYSA-N 0 0 561.706 6.355 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000100634986 554435458 /nfs/dbraw/zinc/43/54/58/554435458.db2.gz OVBFUOZKUTWIPE-ACRUOGEOSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 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C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000101385970 554750804 /nfs/dbraw/zinc/75/08/04/554750804.db2.gz OIOFWZFQBJCCPQ-NHFJDJAPSA-N 0 0 560.148 6.541 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000101389764 554753868 /nfs/dbraw/zinc/75/38/68/554753868.db2.gz ZZTMNDYTNATDIG-FUBACRQPSA-N 0 0 539.657 6.546 50 10 KKCARN N=C1/C(=C\c2ccc(Sc3cccc4ccccc43)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000101415660 554764650 /nfs/dbraw/zinc/76/46/50/554764650.db2.gz BCKSTYZZPSHRLX-VTPTUSAFSA-N 0 0 526.668 7.094 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[S@]4=O)CC2)cc1 ZINC000101416715 554765505 /nfs/dbraw/zinc/76/55/05/554765505.db2.gz QTKQGYNCHPWGAQ-RWYGWLOXSA-N 0 0 586.113 5.638 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000101430576 554770448 /nfs/dbraw/zinc/77/04/48/554770448.db2.gz UTCILIYHADFJMJ-JOPZDBJVSA-N 0 0 526.387 5.064 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000101441946 554773308 /nfs/dbraw/zinc/77/33/08/554773308.db2.gz LBTSQYIDWADNBV-MJPLJUBVSA-N 0 0 531.550 5.260 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000101468243 554781037 /nfs/dbraw/zinc/78/10/37/554781037.db2.gz MDURPUDIIQQSFL-OUHMWRHPSA-N 0 0 596.506 7.494 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000101481943 554784368 /nfs/dbraw/zinc/78/43/68/554784368.db2.gz IYQTVQXGMVBYEC-PCCBWWKXSA-N 0 0 525.866 5.054 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101482553 554784672 /nfs/dbraw/zinc/78/46/72/554784672.db2.gz JVJGTRBIYMNBEO-GVAUOCQISA-N 0 0 507.929 5.188 50 10 KKCARN Cc1cc(N2CCN(CN3C(=O)/C(=C\c4cn(C)c5ccccc45)c4ccc(Cl)cc43)CC2)nc2ccccc12 ZINC000101487897 554785655 /nfs/dbraw/zinc/78/56/55/554785655.db2.gz ICZCDUIOVYJNFB-VEILYXNESA-N 0 0 548.090 6.355 50 10 KKCARN COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000101545275 554795973 /nfs/dbraw/zinc/79/59/73/554795973.db2.gz VLXMHAQXPIEVQE-GDLZYMKVSA-N 0 0 542.705 6.638 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(F)ccc1F)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000101623069 554810571 /nfs/dbraw/zinc/81/05/71/554810571.db2.gz RNIBRKJEZNBSDM-GDLZYMKVSA-N 0 0 538.602 6.453 50 10 KKCARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101637777 554813860 /nfs/dbraw/zinc/81/38/60/554813860.db2.gz SYNSKYJHOTVWGH-VUTHCHCSSA-N 0 0 559.688 5.175 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000101670270 554823539 /nfs/dbraw/zinc/82/35/39/554823539.db2.gz OFQLNFUWOZQLCC-MJSOWUPRSA-N 0 0 620.499 6.783 50 10 KKCARN O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101670129 554823578 /nfs/dbraw/zinc/82/35/78/554823578.db2.gz CAFHKVPKLXHPRQ-SSBOKUKZSA-N 0 0 567.538 7.161 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000101670394 554823787 /nfs/dbraw/zinc/82/37/87/554823787.db2.gz NZVAGZHYYLOOGZ-OIFRRMEBSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000101671023 554824468 /nfs/dbraw/zinc/82/44/68/554824468.db2.gz LNGOJRBOVGDPMW-SSBOKUKZSA-N 0 0 582.077 6.735 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000101671410 554824813 /nfs/dbraw/zinc/82/48/13/554824813.db2.gz CLRPUQKOQVIKPZ-RWSKJCERSA-N 0 0 594.494 7.627 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000101671429 554824894 /nfs/dbraw/zinc/82/48/94/554824894.db2.gz SQSAJDOXKVJWGV-KKUQBAQOSA-N 0 0 585.454 6.406 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101671692 554825120 /nfs/dbraw/zinc/82/51/20/554825120.db2.gz QLCRHLPOVXWDOY-YTCPBCGMSA-N 0 0 582.077 6.735 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101671768 554825139 /nfs/dbraw/zinc/82/51/39/554825139.db2.gz ROFCLPXSOPJSPU-SSBOKUKZSA-N 0 0 584.886 7.963 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101671977 554825596 /nfs/dbraw/zinc/82/55/96/554825596.db2.gz FWIGCQTZFMZWGO-XKKJXBDVSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000101672765 554826290 /nfs/dbraw/zinc/82/62/90/554826290.db2.gz DYMQNJXOMCFGCH-OIFRRMEBSA-N 0 0 589.619 6.168 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000101672841 554826457 /nfs/dbraw/zinc/82/64/57/554826457.db2.gz RDOJZBRSRBZALW-GMQQYTKMSA-N 0 0 556.470 7.371 50 10 KKCARN CC(C)Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101672820 554826462 /nfs/dbraw/zinc/82/64/62/554826462.db2.gz IIDMHVYEWKXTID-XFCANUNOSA-N 0 0 572.104 7.855 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000101673348 554826956 /nfs/dbraw/zinc/82/69/56/554826956.db2.gz MWWZEEPKRJMQBE-OWHBQTKESA-N 0 0 555.630 6.329 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000101674224 554827739 /nfs/dbraw/zinc/82/77/39/554827739.db2.gz HELUHNMSOLNLLK-XKKJXBDVSA-N 0 0 583.640 6.327 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101733658 554833504 /nfs/dbraw/zinc/83/35/04/554833504.db2.gz UXPYZGXMNLNFCN-NRFANRHFSA-N 0 0 586.582 6.096 50 10 KKCARN CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101776593 554837842 /nfs/dbraw/zinc/83/78/42/554837842.db2.gz BPBXNOFPTIKUNH-QHCPKHFHSA-N 0 0 556.647 5.483 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)CC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000101809444 554839471 /nfs/dbraw/zinc/83/94/71/554839471.db2.gz DWKOXVGQILVAIX-UHFFFAOYSA-N 0 0 594.671 7.033 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccccc2F)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000101839281 554842361 /nfs/dbraw/zinc/84/23/61/554842361.db2.gz SLSNXUJJAVTDHA-UHFFFAOYSA-N 0 0 581.537 7.045 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000101917513 554850917 /nfs/dbraw/zinc/85/09/17/554850917.db2.gz YHBVECLYJUYNMS-UHFFFAOYSA-N 0 0 538.526 6.067 50 10 KKCARN O=[N+]([O-])c1ccccc1SC1=C(Cl)[C@@H]2c3cc(Cl)cc(Cl)c3N[C@@H](c3cccc(Cl)c3Cl)[C@@H]2C1 ZINC000102032392 554868102 /nfs/dbraw/zinc/86/81/02/554868102.db2.gz QFUKFKXOBUYMHB-ZTWLPKFNSA-N 0 0 572.728 9.721 50 10 KKCARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000102103491 554882072 /nfs/dbraw/zinc/88/20/72/554882072.db2.gz TVUAQJUPNJVRGL-WTRUXQSKSA-N 0 0 528.937 7.398 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cnn(-c4c(C)cccc4C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102132927 554887103 /nfs/dbraw/zinc/88/71/03/554887103.db2.gz DYWYHZVXWDZESU-UHFFFAOYSA-N 0 0 573.738 5.575 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(OCC)ccc3N(C(=O)CC(C)C)C(C)(C)C2=S)S1 ZINC000102273682 554905913 /nfs/dbraw/zinc/90/59/13/554905913.db2.gz RBIRFHWLQXDMQG-RMLRFSFXSA-N 0 0 567.798 7.707 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(OCC)ccc3N(C(=O)C(F)(F)F)C(C)(C)C2=S)S1 ZINC000102273644 554905921 /nfs/dbraw/zinc/90/59/21/554905921.db2.gz KEGIEDFVQMECPD-LYBHJNIJSA-N 0 0 579.687 7.223 50 10 KKCARN Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1C ZINC000102303255 554908571 /nfs/dbraw/zinc/90/85/71/554908571.db2.gz GCKWEQVNSQDDRC-WAYQORIRSA-N 0 0 548.927 7.060 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)C2=O)cc1 ZINC000102414722 554924548 /nfs/dbraw/zinc/92/45/48/554924548.db2.gz UTURFGUFMNYWNS-STZFKDTASA-N 0 0 561.676 6.681 50 10 KKCARN COc1ccc(C2=NN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000102415539 554924976 /nfs/dbraw/zinc/92/49/76/554924976.db2.gz BHCASNRTOSSBAL-GDLZYMKVSA-N 0 0 564.089 7.389 50 10 KKCARN COc1cc2ccn3cc(-c4ccc(Cl)cc4)c(-c4cc(OC)c(OC)cc4-n4c(C)ccc4C)c3c2cc1OC ZINC000102451863 554932546 /nfs/dbraw/zinc/93/25/46/554932546.db2.gz HOWGWKSLXVWGKM-UHFFFAOYSA-N 0 0 567.085 8.522 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c(OC)c1 ZINC000102496287 554940868 /nfs/dbraw/zinc/94/08/68/554940868.db2.gz OXPQAOAXFWCLPF-GDLZYMKVSA-N 0 0 542.705 6.638 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000102556419 554964791 /nfs/dbraw/zinc/96/47/91/554964791.db2.gz WFVLJFBZJUIYAA-AWCRTANDSA-N 0 0 568.431 7.449 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102558334 554965709 /nfs/dbraw/zinc/96/57/09/554965709.db2.gz VPDQNANIRNNXRR-JCYYIGJDSA-N 0 0 612.103 6.744 50 10 KKCARN COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102558525 554965864 /nfs/dbraw/zinc/96/58/64/554965864.db2.gz RPDXZPJKOADMGC-YKILCQELSA-N 0 0 555.630 6.329 50 10 KKCARN O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000102617864 554985051 /nfs/dbraw/zinc/98/50/51/554985051.db2.gz NVGPPUUSSHCIMF-WNPPMXKSSA-N 0 0 581.930 6.229 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000102626361 554988233 /nfs/dbraw/zinc/98/82/33/554988233.db2.gz XENQWZGEJNHLGN-OIFRRMEBSA-N 0 0 556.574 5.920 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 ZINC000102679312 555005044 /nfs/dbraw/zinc/00/50/44/555005044.db2.gz BADHXGQJDUXMMZ-LFVJCYFKSA-N 0 0 590.727 6.146 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000102686149 555006835 /nfs/dbraw/zinc/00/68/35/555006835.db2.gz JNGZOSDSJZUZLK-PXLXIMEGSA-N 0 0 578.766 6.069 50 10 KKCARN CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000102767205 555055562 /nfs/dbraw/zinc/05/55/62/555055562.db2.gz FCIQLZUSQBXMMW-UHFFFAOYSA-N 0 0 548.719 6.179 50 10 KKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2)cc1 ZINC000102775345 555062740 /nfs/dbraw/zinc/06/27/40/555062740.db2.gz YWKLQUQCPYAYQE-WXGDAXOSSA-N 0 0 580.692 7.407 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cccc(OC)c3OC)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000102781006 555066036 /nfs/dbraw/zinc/06/60/36/555066036.db2.gz HQRHTIZCYOXMJI-UHFFFAOYSA-N 0 0 555.653 5.162 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(OC)c3OC)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000102782078 555066176 /nfs/dbraw/zinc/06/61/76/555066176.db2.gz COKYONCMGBHNHB-UHFFFAOYSA-N 0 0 585.679 5.170 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(C)c(C)cc3N(C(=O)C(F)(F)F)C(C)(C)C2=S)S1 ZINC000102808061 555073777 /nfs/dbraw/zinc/07/37/77/555073777.db2.gz JZHXZBADGBNDBQ-LYBHJNIJSA-N 0 0 563.688 7.441 50 10 KKCARN COc1ccc(-c2coc3c(C[N@@H+]4CCC[C@@H](C)C4)c([O-])c(C[NH+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000102811422 555075078 /nfs/dbraw/zinc/07/50/78/555075078.db2.gz IYQRVYVIOCGQIP-VQTJNVASSA-N 0 0 506.643 5.344 50 10 biogenic KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000102867730 555096994 /nfs/dbraw/zinc/09/69/94/555096994.db2.gz PJTJSUNMKHTQQS-AWCRTANDSA-N 0 0 551.976 6.935 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102867735 555097070 /nfs/dbraw/zinc/09/70/70/555097070.db2.gz PJTJSUNMKHTQQS-ULNSLHSMSA-N 0 0 551.976 6.935 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102870211 555100441 /nfs/dbraw/zinc/10/04/41/555100441.db2.gz VHRXMBHKXFUVFM-FCEKVYKBSA-N 0 0 600.509 6.515 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000102887126 555118137 /nfs/dbraw/zinc/11/81/37/555118137.db2.gz UKSPDUBARWDXOP-OIFRRMEBSA-N 0 0 574.564 6.059 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000102887188 555118694 /nfs/dbraw/zinc/11/86/94/555118694.db2.gz ZQWFLSGLNKYADC-CYXNTTPDSA-N 0 0 609.347 7.805 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102887308 555118805 /nfs/dbraw/zinc/11/88/05/555118805.db2.gz WYAISEWCHVUIQY-JFHPUIQFSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102887658 555119871 /nfs/dbraw/zinc/11/98/71/555119871.db2.gz FILWQPBIHZZSNB-OLUZHXLYSA-N 0 0 594.038 6.813 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000102889366 555123544 /nfs/dbraw/zinc/12/35/44/555123544.db2.gz IQFSCGIHGAVKRT-DYIKCSJPSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102889963 555124844 /nfs/dbraw/zinc/12/48/44/555124844.db2.gz HYOTWMNXEIRRJI-MJSOWUPRSA-N 0 0 559.593 6.159 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000102890400 555125657 /nfs/dbraw/zinc/12/56/57/555125657.db2.gz WBMKCXXNTCHXOJ-DYIKCSJPSA-N 0 0 564.468 7.618 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102892331 555128361 /nfs/dbraw/zinc/12/83/61/555128361.db2.gz IPKLJWGVODPTGQ-DYIKCSJPSA-N 0 0 564.012 6.804 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000102893639 555131460 /nfs/dbraw/zinc/13/14/60/555131460.db2.gz FBNXZXYRJJRPRL-PFBJBMPXSA-N 0 0 586.084 6.414 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000102896149 555135775 /nfs/dbraw/zinc/13/57/75/555135775.db2.gz JODDAKYJMIDCKZ-JCYYIGJDSA-N 0 0 552.051 6.726 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896888 555137161 /nfs/dbraw/zinc/13/71/61/555137161.db2.gz QWBDAAGMRHXNNX-OLUZHXLYSA-N 0 0 559.593 6.159 50 10 KKCARN CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102946510 555171927 /nfs/dbraw/zinc/17/19/27/555171927.db2.gz MKHWOWVUDBPQRC-BUVRLJJBSA-N 0 0 605.523 6.330 50 10 KKCARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000103019022 555210670 /nfs/dbraw/zinc/21/06/70/555210670.db2.gz TUSBNAZTENHWPG-MWVDVNALSA-N 0 0 568.095 5.164 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3csc(CN(Cc4ccc(C(C)(C)C)cc4)Cc4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000103024998 555215262 /nfs/dbraw/zinc/21/52/62/555215262.db2.gz WRFYYHAEYIWBBG-UHFFFAOYSA-N 0 0 612.796 6.343 50 10 KKCARN CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000103046902 555228799 /nfs/dbraw/zinc/22/87/99/555228799.db2.gz YUDBXGKJMQIKTF-UHFFFAOYSA-N 0 0 594.680 6.430 50 10 KKCARN COc1ccccc1-n1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000103063468 555244195 /nfs/dbraw/zinc/24/41/95/555244195.db2.gz ICBZHPOJSUIGEW-UHFFFAOYSA-N 0 0 551.045 6.162 50 10 KKCARN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc(Br)cc(I)c1OC(C)C ZINC000103069976 555250760 /nfs/dbraw/zinc/25/07/60/555250760.db2.gz GCTIOEZADXFDAW-CAOOACKPSA-N 0 0 593.181 6.666 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000103074309 555254079 /nfs/dbraw/zinc/25/40/79/555254079.db2.gz MHSXWDMJFLOKNW-UHFFFAOYSA-N 0 0 525.289 5.340 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CSc2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000103075255 555254731 /nfs/dbraw/zinc/25/47/31/555254731.db2.gz XJVWZSUDCMTEDP-FVGBSAJZSA-N 0 0 559.179 7.387 50 10 KKCARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc(O)c(O)cc23)/C(=C\c2ccc3c(c2)OCO3)C1 ZINC000103079319 555257887 /nfs/dbraw/zinc/25/78/87/555257887.db2.gz UWVGAGGHBUNQKK-OFHGOEMBSA-N 0 0 605.643 6.987 50 10 KKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4ccccc4nc4c3CCCC4=Cc3ccc(Cl)cc3)c2C)cc1 ZINC000103083704 555262646 /nfs/dbraw/zinc/26/26/46/555262646.db2.gz PHLGCQRDGHZZFL-QOMWVZHYSA-N 0 0 619.117 7.999 50 10 KKCARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103091707 555270455 /nfs/dbraw/zinc/27/04/55/555270455.db2.gz KPOJCTBPHYRPIB-UHFFFAOYSA-N 0 0 553.546 5.170 50 10 KKCARN Cc1ccc(-n2c(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nnc2-c2ccccc2)cc1C ZINC000103091909 555270924 /nfs/dbraw/zinc/27/09/24/555270924.db2.gz IEYPPACRVGHJRP-UHFFFAOYSA-N 0 0 544.636 6.057 50 10 KKCARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 ZINC000103129230 555297758 /nfs/dbraw/zinc/29/77/58/555297758.db2.gz MJLHSTAFZIIUKB-UHFFFAOYSA-N 0 0 544.947 5.095 50 10 KKCARN Cc1cc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2Cl)c(C)n1-c1cc(C)cc(C)c1 ZINC000103138764 555308621 /nfs/dbraw/zinc/30/86/21/555308621.db2.gz KQAHRGQALBBLAT-UHFFFAOYSA-N 0 0 583.201 8.885 50 10 KKCARN COc1ccc(N2CCN(c3cc(-c4ccccc4)nc(SCc4ccc(C(=O)NCc5ccncc5)cc4)n3)CC2)cc1 ZINC000103141218 555310715 /nfs/dbraw/zinc/31/07/15/555310715.db2.gz AGOCOVKHVXQIHB-UHFFFAOYSA-N 0 0 602.764 6.096 50 10 KKCARN COc1ccc(-n2c(C)c(C(=O)N3CCN(C(=O)Nc4ccc(SC)cc4)CC3)cc2-c2ccccc2)cc1OC ZINC000103208291 555339316 /nfs/dbraw/zinc/33/93/16/555339316.db2.gz LCIMDYXIGVFCDL-UHFFFAOYSA-N 0 0 570.715 6.182 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000103408929 555394762 /nfs/dbraw/zinc/39/47/62/555394762.db2.gz LQRKZOOLXVICBE-UHFFFAOYSA-N 0 0 581.056 6.778 50 10 KKCARN CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1)C[C@@H]1CCCO1 ZINC000103420640 555400836 /nfs/dbraw/zinc/40/08/36/555400836.db2.gz ZKMGOZZLJWTUOX-FQEVSTJZSA-N 0 0 558.528 5.318 50 10 KKCARN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000103430202 555412640 /nfs/dbraw/zinc/41/26/40/555412640.db2.gz CDGJPKFJVJBDGO-FBHDLOMBSA-N 0 0 540.415 7.997 50 10 KKCARN CCNC(=O)N(Cc1ccco1)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103438645 555418764 /nfs/dbraw/zinc/41/87/64/555418764.db2.gz UWXICILOLFDUML-UHFFFAOYSA-N 0 0 554.496 5.932 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103515338 555423078 /nfs/dbraw/zinc/42/30/78/555423078.db2.gz UVHYYWXIOCSGFM-ULNSLHSMSA-N 0 0 526.548 5.911 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3cccc(Cl)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103520123 555425766 /nfs/dbraw/zinc/42/57/66/555425766.db2.gz SZMJHZSWUXAOTM-NGDRWEMDSA-N 0 0 580.467 7.318 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103523174 555427640 /nfs/dbraw/zinc/42/76/40/555427640.db2.gz RCDDHSQHFOGGKX-QKDODKLFSA-N 0 0 556.470 7.371 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103534814 555434788 /nfs/dbraw/zinc/43/47/88/555434788.db2.gz KHQDMADGRDSMNN-OCBJUFRSSA-N 0 0 530.023 6.965 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000103540212 555438011 /nfs/dbraw/zinc/43/80/11/555438011.db2.gz UKSPDUBARWDXOP-OCBJUFRSSA-N 0 0 574.564 6.059 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000103546066 555440736 /nfs/dbraw/zinc/44/07/36/555440736.db2.gz OTNMJOFFHPGHSO-AWCRTANDSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000103548156 555441982 /nfs/dbraw/zinc/44/19/82/555441982.db2.gz MYHOACNLOGGVLD-AWCRTANDSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103549628 555442698 /nfs/dbraw/zinc/44/26/98/555442698.db2.gz ABBLFZZLCXZEJX-ULNSLHSMSA-N 0 0 595.438 7.218 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103549425 555442718 /nfs/dbraw/zinc/44/27/18/555442718.db2.gz JHSDBIOYQPIYIZ-PVHODMMVSA-N 0 0 590.915 8.025 50 10 KKCARN O=C(c1ccccc1Cl)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103552206 555444389 /nfs/dbraw/zinc/44/43/89/555444389.db2.gz KVAQNOXWIGDDOB-ULNSLHSMSA-N 0 0 560.993 6.565 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000103555719 555445764 /nfs/dbraw/zinc/44/57/64/555445764.db2.gz RKPXTWXRZURGIQ-OCBJUFRSSA-N 0 0 575.020 6.873 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103556355 555446225 /nfs/dbraw/zinc/44/62/25/555446225.db2.gz RDOJZBRSRBZALW-QKDODKLFSA-N 0 0 556.470 7.371 50 10 KKCARN CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@H]3c2cc(Br)ccc2O)cc1 ZINC000103558981 555447534 /nfs/dbraw/zinc/44/75/34/555447534.db2.gz PUPQRMNVASIUDD-GDLZYMKVSA-N 0 0 620.511 7.238 50 10 KKCARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)Nc3c(F)cc(F)cc3Br)N(c3ccccc3)C2=O)cc1 ZINC000103702375 555464131 /nfs/dbraw/zinc/46/41/31/555464131.db2.gz AKRUTHIYDSPKAT-UUYOSTAYSA-N 0 0 571.447 5.909 50 10 KKCARN COc1ccc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c3ccccc32)cc1 ZINC000103751458 555467549 /nfs/dbraw/zinc/46/75/49/555467549.db2.gz 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ZMSKVYZCJCIPQR-YBEGLDIGSA-N 0 0 521.154 6.730 50 10 KKCARN CC(C)COC(=O)CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OCC(C)C)C2=O)SC1=S ZINC000103884752 571368630 /nfs/dbraw/zinc/36/86/30/571368630.db2.gz OHVBIKDHKJIJQE-DQRAZIAOSA-N 0 0 602.866 5.438 50 10 KKCARN O=C1O[C@H](C(Cl)(Cl)Cl)c2c1c1c(c(O)c2O)O[C@@H](C(Cl)(Cl)Cl)O[C@@H]1C(Cl)(Cl)Cl ZINC000104100434 571373848 /nfs/dbraw/zinc/37/38/48/571373848.db2.gz XGIHPIQVYWFJKG-OYNCUSHFSA-N 0 0 576.254 6.196 50 10 KKCARN COc1cc(Br)c(Br)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000104629296 571381856 /nfs/dbraw/zinc/38/18/56/571381856.db2.gz VNEVIEAYUQHODV-AUWJEWJLSA-N 0 0 515.248 5.327 50 10 KKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105163048 571391901 /nfs/dbraw/zinc/39/19/01/571391901.db2.gz SOPOPFLDEPRYSE-GGUMNFRJSA-N 0 0 567.257 8.448 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000105318191 571400757 /nfs/dbraw/zinc/40/07/57/571400757.db2.gz 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COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229942439 572172351 /nfs/dbraw/zinc/17/23/51/572172351.db2.gz RGXKSYTUZULYSX-QAXCHELISA-N 0 0 590.075 6.982 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229943124 572172548 /nfs/dbraw/zinc/17/25/48/572172548.db2.gz VBXPNNKFEVZBLA-DSPMFFIESA-N 0 0 599.639 5.945 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229946106 572173003 /nfs/dbraw/zinc/17/30/03/572173003.db2.gz MDCFYZITPJQDPW-QAXCHELISA-N 0 0 569.613 5.937 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229955756 572174028 /nfs/dbraw/zinc/17/40/28/572174028.db2.gz LDBNYVGOHLMBLS-YPKYBTACSA-N 0 0 590.075 6.982 50 10 KKCARN COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1 ZINC000229975452 572176136 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Cc1ccc(C(=O)N2c3ccc(Br)cc3[C@@H]3C=CC[C@@H]3[C@H]2c2ccc(Br)cc2)cc1 ZINC000245238010 572211410 /nfs/dbraw/zinc/21/14/10/572211410.db2.gz CKNVKZDVAFQTSJ-OTNCWRBYSA-N 0 0 523.268 7.581 50 10 KKCARN Nc1ccc(N=Nc2ccc(N=Nc3ccc(/N=N/c4ccc(N=Nc5ccc(N)cc5)cc4)cc3)cc2)cc1 ZINC000245238963 572212641 /nfs/dbraw/zinc/21/26/41/572212641.db2.gz CZOHQJMMOYWDGN-RWXKNFJWSA-N 0 0 524.592 10.513 50 10 KKCARN Cc1cc(N=Nc2ccc(N=Nc3ccccc3)cc2)c(C(C)C)cc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000245241060 572214730 /nfs/dbraw/zinc/21/47/30/572214730.db2.gz WUDUTRVIGDSPTK-UHFFFAOYSA-N 0 0 550.670 12.780 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000245246483 572219396 /nfs/dbraw/zinc/21/93/96/572219396.db2.gz MSOISGVNYRETKW-XQKNLLDYSA-N 0 0 618.483 6.691 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccccc2F)[C@H]1C(=O)c1ccccc1 ZINC000245246857 572220364 /nfs/dbraw/zinc/22/03/64/572220364.db2.gz PUPCOLTZMGEGFH-XQKNLLDYSA-N 0 0 557.577 6.067 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4ccc(F)cc4)[C@H]3C2)cc1 ZINC000245342980 572236819 /nfs/dbraw/zinc/23/68/19/572236819.db2.gz ARSNADAFFCQCDF-AOYPEHQESA-N 0 0 513.535 5.037 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000247324274 572241177 /nfs/dbraw/zinc/24/11/77/572241177.db2.gz MYHOACNLOGGVLD-NLDZOOGBSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000247335076 572241529 /nfs/dbraw/zinc/24/15/29/572241529.db2.gz QGQCFFPTCXCUKG-NLDZOOGBSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000247343216 572241863 /nfs/dbraw/zinc/24/18/63/572241863.db2.gz STPRZDKAIOEILG-NLDZOOGBSA-N 0 0 544.538 6.050 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000247944248 572250220 /nfs/dbraw/zinc/25/02/20/572250220.db2.gz QLRCAJYHIBMDHP-NLDZOOGBSA-N 0 0 568.431 7.449 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 ZINC000247960990 572250747 /nfs/dbraw/zinc/25/07/47/572250747.db2.gz XLWUNNRUYSBFHX-XQFUHLNNSA-N 0 0 561.435 6.254 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000248124478 572254401 /nfs/dbraw/zinc/25/44/01/572254401.db2.gz DPKSVQWZSYDPMD-HZFRXHCASA-N 0 0 577.036 6.162 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)Nc4cccc(OC)c4)[C@H]3C2)cc1 ZINC000248126504 572254478 /nfs/dbraw/zinc/25/44/78/572254478.db2.gz GTEQDPJPDCDVAC-AOYPEHQESA-N 0 0 511.544 5.229 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4ccccc4F)[C@H]3C2)cc1 ZINC000248149484 572255599 /nfs/dbraw/zinc/25/55/99/572255599.db2.gz VCWOCSYDBHJIDG-ZEQKJWHPSA-N 0 0 513.535 5.037 50 10 KKCARN 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O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000009311286 553239481 /nfs/dbraw/zinc/23/94/81/553239481.db2.gz DRSVRHIEJCQLBV-CAPFRKAQSA-N 0 0 513.347 7.089 50 10 KKCARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1 ZINC000009311274 553239501 /nfs/dbraw/zinc/23/95/01/553239501.db2.gz QIOLGPKDTQIEOW-RCCKNPSSSA-N 0 0 500.381 7.927 50 10 KKCARN COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009407139 553256574 /nfs/dbraw/zinc/25/65/74/553256574.db2.gz SJLRDOPNFMQXTK-RRPNLBNLSA-N 0 0 503.668 5.042 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S ZINC000009427534 553259880 /nfs/dbraw/zinc/25/98/80/553259880.db2.gz WUOUZHOQFDMEFL-ITYLOYPMSA-N 0 0 519.736 7.356 50 10 KKCARN CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000009434404 553263777 /nfs/dbraw/zinc/26/37/77/553263777.db2.gz IWCKTTAHMLJECN-XHPQRKPJSA-N 0 0 503.689 6.843 50 10 KKCARN 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CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000009531247 553277735 /nfs/dbraw/zinc/27/77/35/553277735.db2.gz PDBPWNXKXMZBQE-UHFFFAOYSA-N 0 0 505.622 5.821 50 10 KKCARN COc1ccccc1N1CCN(c2cc(N3CCC(C)CC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612291 553289621 /nfs/dbraw/zinc/28/96/21/553289621.db2.gz MCQXAKMZDVLXTI-UHFFFAOYSA-N 0 0 508.622 5.611 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C ZINC000009679035 553295800 /nfs/dbraw/zinc/29/58/00/553295800.db2.gz QCGJVINJUDOIRC-ONUIUJJFSA-N 0 0 505.661 6.171 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000009679223 553296119 /nfs/dbraw/zinc/29/61/19/553296119.db2.gz KORBPEJUKITJFQ-WZVOASFVSA-N 0 0 503.689 7.454 50 10 KKCARN COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000009906260 553315484 /nfs/dbraw/zinc/31/54/84/553315484.db2.gz ZMQINXOXSHNGTP-ANSQWYIGSA-N 0 0 510.587 5.479 50 10 KKCARN 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CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC)C2=O)cc1C ZINC000013810350 553492378 /nfs/dbraw/zinc/49/23/78/553492378.db2.gz MVEPJGNIVUYFHQ-BWAHOGKJSA-N 0 0 505.709 7.028 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000013810261 553492379 /nfs/dbraw/zinc/49/23/79/553492379.db2.gz JLDYBPQZORWMPU-WRLNMTLESA-N 0 0 525.630 6.156 50 10 KKCARN CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013810369 553492384 /nfs/dbraw/zinc/49/23/84/553492384.db2.gz GNSXNJZZUCKMAJ-DZIBZFBXSA-N 0 0 502.640 5.406 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000013881147 553493953 /nfs/dbraw/zinc/49/39/53/553493953.db2.gz RNWQVVYJQWHHAI-OSWZSTQVSA-N 0 0 503.689 7.372 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(OCC)c3)C2=N)S1 ZINC000013894493 553494346 /nfs/dbraw/zinc/49/43/46/553494346.db2.gz PPSSYJORQCLDEE-MDHMIDBASA-N 0 0 506.628 5.661 50 10 KKCARN 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CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000015134079 553528203 /nfs/dbraw/zinc/52/82/03/553528203.db2.gz HMTBNJNBWGIYML-WTHRLWDASA-N 0 0 504.594 5.740 50 10 KKCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000015930502 553542428 /nfs/dbraw/zinc/54/24/28/553542428.db2.gz SLKLYWNMTSCPMF-YXHOTNNGSA-N 0 0 512.520 5.402 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000015996270 553549488 /nfs/dbraw/zinc/54/94/88/553549488.db2.gz RWYGESQUSZSFBG-KCHLEUMXSA-N 0 0 501.538 5.605 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016001355 553549891 /nfs/dbraw/zinc/54/98/91/553549891.db2.gz SRVVVALPRGEYOQ-VJGNERBWSA-N 0 0 510.033 6.697 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000016001388 553549902 /nfs/dbraw/zinc/54/99/02/553549902.db2.gz FHZRPCIBIQKTFI-VJGNERBWSA-N 0 0 513.977 5.380 50 10 KKCARN CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 ZINC000016001514 553550043 /nfs/dbraw/zinc/55/00/43/553550043.db2.gz HACUPTYMKASUIM-KKUQBAQOSA-N 0 0 512.403 5.780 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000016001597 553550098 /nfs/dbraw/zinc/55/00/98/553550098.db2.gz CMDVLDHXQMNXOQ-OYUWMTPXSA-N 0 0 513.977 5.380 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000016007523 553550230 /nfs/dbraw/zinc/55/02/30/553550230.db2.gz RMFNDXKXJHGKTF-YTCPBCGMSA-N 0 0 514.556 5.845 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000016009812 553550522 /nfs/dbraw/zinc/55/05/22/553550522.db2.gz XFMJYAPNTXOZSS-OIFRRMEBSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O ZINC000016011578 553550715 /nfs/dbraw/zinc/55/07/15/553550715.db2.gz IUWXCVPAJALPAL-OIFRRMEBSA-N 0 0 513.568 6.450 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000016039060 553552776 /nfs/dbraw/zinc/55/27/76/553552776.db2.gz ZKWHDKDPJUPSIU-IARZGTGTSA-N 0 0 521.613 5.752 50 10 KKCARN CCOc1ccccc1-n1c(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1-c1ccccc1 ZINC000016531697 553567289 /nfs/dbraw/zinc/56/72/89/553567289.db2.gz YPQMDIHVRDRSJG-UHFFFAOYSA-N 0 0 510.594 5.722 50 10 KKCARN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)c2C)CC1 ZINC000016532304 553567317 /nfs/dbraw/zinc/56/73/17/553567317.db2.gz FWDZOBVEBCWGHW-UHFFFAOYSA-N 0 0 514.069 6.776 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016671518 553571400 /nfs/dbraw/zinc/57/14/00/553571400.db2.gz QUNQMUOFHWLYDE-HMAPJEAMSA-N 0 0 506.561 5.619 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S ZINC000016700756 553574602 /nfs/dbraw/zinc/57/46/02/553574602.db2.gz MTKYWHMDJGKFLY-ULJHMMPZSA-N 0 0 507.681 5.874 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 ZINC000016728810 553575392 /nfs/dbraw/zinc/57/53/92/553575392.db2.gz LVIPQAABUGQUPR-OFWBYEQRSA-N 0 0 510.597 6.691 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000016729630 553575864 /nfs/dbraw/zinc/57/58/64/553575864.db2.gz HMAMFNYIYMJYMN-VHXPQNKSSA-N 0 0 507.681 5.440 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1F ZINC000016730089 553576348 /nfs/dbraw/zinc/57/63/48/553576348.db2.gz WQQZSCNOCCYLQY-KQWNVCNZSA-N 0 0 511.644 5.705 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016731951 553577326 /nfs/dbraw/zinc/57/73/26/553577326.db2.gz GVGLPHDLPXPTEX-MRCUWXFGSA-N 0 0 515.498 5.800 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC(=S)N1Cc1ccco1 ZINC000016732655 553577663 /nfs/dbraw/zinc/57/76/63/553577663.db2.gz BTBLJXRSACYMIK-BKUYFWCQSA-N 0 0 500.630 6.143 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1Cl ZINC000016733121 553577891 /nfs/dbraw/zinc/57/78/91/553577891.db2.gz FNSLTFHPUFKITD-JLPGSUDCSA-N 0 0 524.111 7.125 50 10 KKCARN CC1(C)[C@H](C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)[C@H]1C=C(Cl)Cl ZINC000016790769 553582679 /nfs/dbraw/zinc/58/26/79/553582679.db2.gz VVVNZRHSLNLVRB-YZPVYGQOSA-N 0 0 518.487 6.585 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000016791062 553582715 /nfs/dbraw/zinc/58/27/15/553582715.db2.gz OMEQYPNECLHHHM-HUBZVCNYSA-N 0 0 519.736 7.356 50 10 KKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc21 ZINC000019789751 553616365 /nfs/dbraw/zinc/61/63/65/553616365.db2.gz MCBFEKSAJFSGNS-SFHVURJKSA-N 0 0 503.561 7.372 50 10 KKCARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000019855998 553625768 /nfs/dbraw/zinc/62/57/68/553625768.db2.gz LUCOVRBUKUAUJP-XQNSMLJCSA-N 0 0 508.441 5.497 50 10 KKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000020375547 553643510 /nfs/dbraw/zinc/64/35/10/553643510.db2.gz PUPFZYBRXNAWID-WHNCFTFJSA-N 0 0 510.678 6.665 50 10 biogenic KKCARN COc1ccc(N2CCN(c3c4cc(Cl)ccc4ncc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000020382184 553643810 /nfs/dbraw/zinc/64/38/10/553643810.db2.gz OFPRYZGCQCIUNR-UHFFFAOYSA-N 0 0 508.043 5.365 50 10 KKCARN CC(NCCCCCCCCCCCCNC(C)=C1SC(=S)NC1=O)=C1SC(=S)NC1=O ZINC000020032678 553666306 /nfs/dbraw/zinc/66/63/06/553666306.db2.gz RQMOJENWGYSDDH-IQRFGFHNSA-N 0 0 514.808 5.666 50 10 KKCARN CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3c(C)cc(C)cc3C)ccc21 ZINC000020731004 553691871 /nfs/dbraw/zinc/69/18/71/553691871.db2.gz BHDNSLVNLPPCBN-UHFFFAOYSA-N 0 0 508.776 5.696 50 10 KKCARN CCSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=N)N12 ZINC000020114655 553695723 /nfs/dbraw/zinc/69/57/23/553695723.db2.gz GMIJQIWIZAUHGY-LXEXHQCYSA-N 0 0 517.032 5.136 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccccc2F)N1 ZINC000020763901 553696340 /nfs/dbraw/zinc/69/63/40/553696340.db2.gz MBKVWAPSQVSDRB-UNMCSNQZSA-N 0 0 504.197 6.279 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000020764313 553696405 /nfs/dbraw/zinc/69/64/05/553696405.db2.gz CAGOLZBEVXBJJN-ZEQKJWHPSA-N 0 0 513.407 6.314 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(C(F)(F)F)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764476 553696698 /nfs/dbraw/zinc/69/66/98/553696698.db2.gz SFOBKOZAYLCOKW-VWNXMTODSA-N 0 0 519.361 6.795 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000020764764 553696703 /nfs/dbraw/zinc/69/67/03/553696703.db2.gz NMUNCMRMEQVZEP-IRLDBZIGSA-N 0 0 510.646 7.337 50 10 KKCARN Cc1ccc(C2=N[C@H](c3cc(Br)ccc3F)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764941 553697023 /nfs/dbraw/zinc/69/70/23/553697023.db2.gz RXWPPAFQZSDFQF-GMAHTHKFSA-N 0 0 518.224 6.587 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020765159 553697069 /nfs/dbraw/zinc/69/70/69/553697069.db2.gz VSGFYTWXQVOXAZ-QPPBQGQZSA-N 0 0 503.799 6.568 50 10 KKCARN CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000096021682 553717437 /nfs/dbraw/zinc/71/74/37/553717437.db2.gz LOUHYOSAVLLZKK-PMERELPUSA-N 0 0 597.144 6.743 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000096022128 553719685 /nfs/dbraw/zinc/71/96/85/553719685.db2.gz TWQCQKKQLNFFAO-QGZVFWFLSA-N 0 0 592.161 7.747 50 10 KKCARN O=C1/C(=C\c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC(=S)N1Cc1ccccc1 ZINC000096022185 553719971 /nfs/dbraw/zinc/71/99/71/553719971.db2.gz HHUJXZLGWHKNPM-LHLOQNFPSA-N 0 0 552.725 5.555 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(OC)ccc3N(C(=O)c3cccc(OC)c3)C(C)(C)C2=S)S1 ZINC000096022313 553720669 /nfs/dbraw/zinc/72/06/69/553720669.db2.gz INXVFIVEGKRXAL-UHFFFAOYSA-N 0 0 599.752 5.999 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Br)c1ccccc1 ZINC000022497122 553742692 /nfs/dbraw/zinc/74/26/92/553742692.db2.gz DFWGSZMQIRGLQA-UNOMPAQXSA-N 0 0 500.395 5.663 50 10 KKCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000096290647 553743832 /nfs/dbraw/zinc/74/38/32/553743832.db2.gz NPWZHUFJISEJLH-UHFFFAOYSA-N 0 0 529.703 5.044 50 10 KKCARN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096292634 553746784 /nfs/dbraw/zinc/74/67/84/553746784.db2.gz YPOVCLPDOQQNLR-UHFFFAOYSA-N 0 0 527.514 6.144 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000096294679 553748102 /nfs/dbraw/zinc/74/81/02/553748102.db2.gz WYKHCUXHVARCBJ-UHFFFAOYSA-N 0 0 529.530 6.248 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]23)cc1 ZINC000096299678 553748810 /nfs/dbraw/zinc/74/88/10/553748810.db2.gz RVURBOGPHSVYAN-SGNDLWITSA-N 0 0 517.940 5.298 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCCc4cccs4)[C@@H]3C2)cc1 ZINC000096457186 553754581 /nfs/dbraw/zinc/75/45/81/553754581.db2.gz QYKBNSDLIJMOHE-ZCYQVOJMSA-N 0 0 515.601 5.002 50 10 KKCARN Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000097945964 553775692 /nfs/dbraw/zinc/77/56/92/553775692.db2.gz ISUWSAKUSMTXNU-MUUNZHRXSA-N 0 0 540.015 6.359 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000097946073 553776484 /nfs/dbraw/zinc/77/64/84/553776484.db2.gz ZGIWLBUEKJLXGS-LIAPLOTISA-N 0 0 584.605 7.728 50 10 KKCARN O=C(CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(F)cc1 ZINC000097946117 553776632 /nfs/dbraw/zinc/77/66/32/553776632.db2.gz LQUYAIRWTTZKAQ-HAHDFKILSA-N 0 0 594.690 5.977 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946134 553776959 /nfs/dbraw/zinc/77/69/59/553776959.db2.gz CAAWTBRXAULYEX-BGDIREAQSA-N 0 0 607.113 8.606 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c4ccccc4nc3SCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000097946364 553778686 /nfs/dbraw/zinc/77/86/86/553778686.db2.gz PFHZUMOIMHPAJJ-UQQQWYQISA-N 0 0 602.763 6.016 50 10 KKCARN Cc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1 ZINC000097946378 553779037 /nfs/dbraw/zinc/77/90/37/553779037.db2.gz JUSIXVIVKNHWSI-JLPGSUDCSA-N 0 0 607.182 6.661 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946446 553779509 /nfs/dbraw/zinc/77/95/09/553779509.db2.gz YCKJDVZMVUSIFO-QRQIAZFYSA-N 0 0 608.616 8.817 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)cc1OC ZINC000097946448 553779526 /nfs/dbraw/zinc/77/95/26/553779526.db2.gz YCFSIEOHLDZQII-APTWKGOFSA-N 0 0 702.685 8.886 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4cc(C)ccc4C)C3=O)SC2=S)cc1OC ZINC000097946501 553779762 /nfs/dbraw/zinc/77/97/62/553779762.db2.gz MJUVVZCXYAAUPZ-DQSJHHFOSA-N 0 0 587.723 5.120 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000097946510 553779803 /nfs/dbraw/zinc/77/98/03/553779803.db2.gz UIQGUYSCBIZONS-QQXSKIMKSA-N 0 0 546.117 7.301 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000097946512 553779842 /nfs/dbraw/zinc/77/98/42/553779842.db2.gz MVTWBOKPHFGHDU-WFSKJOQISA-N 0 0 535.735 6.974 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000097946522 553780056 /nfs/dbraw/zinc/78/00/56/553780056.db2.gz FCXZCPUMUGLWNF-ITYLOYPMSA-N 0 0 546.117 7.035 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1Cl ZINC000097946557 553780260 /nfs/dbraw/zinc/78/02/60/553780260.db2.gz ITTZJYGHGKKMSF-USHMODERSA-N 0 0 590.170 7.434 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000097946728 553781309 /nfs/dbraw/zinc/78/13/09/553781309.db2.gz YUBQPIMPTAIEJX-ZNBSHBAVSA-N 0 0 553.709 6.499 50 10 KKCARN CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000097946793 553781684 /nfs/dbraw/zinc/78/16/84/553781684.db2.gz WVQCRDDGAKALPV-USHMODERSA-N 0 0 619.790 5.794 50 10 KKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)S2)C[C@H](C)O1 ZINC000097946889 553782169 /nfs/dbraw/zinc/78/21/69/553782169.db2.gz BIUZVUFDSYEREB-HGKDCZMISA-N 0 0 585.129 6.851 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)c(OC)c2)SC1=S ZINC000097946921 553782207 /nfs/dbraw/zinc/78/22/07/553782207.db2.gz ONYUNDJZSOSIAM-ZDLGFXPLSA-N 0 0 554.498 6.284 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000097946975 553782654 /nfs/dbraw/zinc/78/26/54/553782654.db2.gz YAAOOYSFSCQAJG-OMJMQIJPSA-N 0 0 584.549 5.816 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1C1CCCCC1 ZINC000097946981 553782689 /nfs/dbraw/zinc/78/26/89/553782689.db2.gz YLYBNEAUNQBYBM-JCMHNJIXSA-N 0 0 524.509 6.836 50 10 KKCARN COCCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947006 553782813 /nfs/dbraw/zinc/78/28/13/553782813.db2.gz TVRMEPOAEBJONQ-UHWDDTASSA-N 0 0 575.923 5.048 50 10 KKCARN O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000097946993 553782846 /nfs/dbraw/zinc/78/28/46/553782846.db2.gz AXVBJAVBVJPIDH-HVUZKSCUSA-N 0 0 577.942 6.593 50 10 KKCARN CC(C)CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947036 553783090 /nfs/dbraw/zinc/78/30/90/553783090.db2.gz PDFSDZIBBXUTIZ-UVSWGTPYSA-N 0 0 571.979 6.886 50 10 KKCARN CC(C)CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947039 553783129 /nfs/dbraw/zinc/78/31/29/553783129.db2.gz PDFSDZIBBXUTIZ-CEZWYGAYSA-N 0 0 571.979 6.886 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000097947066 553783315 /nfs/dbraw/zinc/78/33/15/553783315.db2.gz QQIYVAMDEVBCIR-TUNPGAEXSA-N 0 0 526.481 5.682 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000097947115 553783929 /nfs/dbraw/zinc/78/39/29/553783929.db2.gz YSXRLAPQQWDIKJ-VAMRJTSQSA-N 0 0 540.623 6.781 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000097947156 553784125 /nfs/dbraw/zinc/78/41/25/553784125.db2.gz JFSFUNQVJVSAGE-RRAHZORUSA-N 0 0 535.673 5.336 50 10 KKCARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(C(C)(C)C)cc4)SC3=S)cc2)C[C@@H](C)O1 ZINC000097947165 553784148 /nfs/dbraw/zinc/78/41/48/553784148.db2.gz UMARWQKZRJEUMA-ZASZEEDESA-N 0 0 601.816 5.012 50 10 KKCARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1 ZINC000097947167 553784168 /nfs/dbraw/zinc/78/41/68/553784168.db2.gz MMPVIUUFAAQHLR-OFWBYEQRSA-N 0 0 532.713 7.081 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1C ZINC000097947144 553784186 /nfs/dbraw/zinc/78/41/86/553784186.db2.gz KYPARTMWIQWAEE-SJIPCVTESA-N 0 0 568.677 7.480 50 10 KKCARN CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947205 553784495 /nfs/dbraw/zinc/78/44/95/553784495.db2.gz ZZTWOBOJNYKEKW-IKNFNJQFSA-N 0 0 594.589 8.425 50 10 KKCARN COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)CC2)cc1 ZINC000097947180 553784529 /nfs/dbraw/zinc/78/45/29/553784529.db2.gz MFCHUIOIIQNONF-CSYCHJTNSA-N 0 0 597.766 5.301 50 10 KKCARN CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000097947300 553785153 /nfs/dbraw/zinc/78/51/53/553785153.db2.gz MTMPEOBJXAASFE-ULJHMMPZSA-N 0 0 566.749 5.090 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097947432 553786017 /nfs/dbraw/zinc/78/60/17/553786017.db2.gz ALMOFJKJSRBYQP-RHGSLLQMSA-N 0 0 566.752 6.116 50 10 KKCARN Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)oc2N2CCCCC2)cc1 ZINC000097947661 553787774 /nfs/dbraw/zinc/78/77/74/553787774.db2.gz FNTIRWYJFZZTOQ-PGMHBOJBSA-N 0 0 539.704 5.208 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000097947658 553787823 /nfs/dbraw/zinc/78/78/23/553787823.db2.gz SFCCKJQYKIBXRJ-OOAXWGSJSA-N 0 0 566.752 5.863 50 10 KKCARN CC(=O)Nc1ccc(-n2c(CCC(=O)N3CC=C(c4ccccc4)CC3)ccc2-c2ccc(F)cc2)cc1 ZINC000025150982 553796452 /nfs/dbraw/zinc/79/64/52/553796452.db2.gz CKAFAUFSDQVIDT-UHFFFAOYSA-N 0 0 507.609 6.490 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCc4ccccc4F)[C@@H]3C2)cc1 ZINC000097951545 553809587 /nfs/dbraw/zinc/80/95/87/553809587.db2.gz VCWOCSYDBHJIDG-OZXSUGGESA-N 0 0 513.535 5.037 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)cc1O)N1c3ccccc3NC(=Nc3cc(C)cc(C)c3)C1=N2 ZINC000097952102 553813208 /nfs/dbraw/zinc/81/32/08/553813208.db2.gz TXZVTZYQXSDHIW-SSEXGKCCSA-N 0 0 540.627 7.004 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025869130 553814351 /nfs/dbraw/zinc/81/43/51/553814351.db2.gz BYZQZFFMAVDJLT-OXQOHEQNSA-N 0 0 506.219 6.221 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000026532088 553819088 /nfs/dbraw/zinc/81/90/88/553819088.db2.gz HMNSANQMTRQMCX-TWHODHDVSA-N 0 0 504.681 5.139 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000026681012 553819972 /nfs/dbraw/zinc/81/99/72/553819972.db2.gz ZPKKJNBYRCVXSH-SXFYGQMCSA-N 0 0 525.630 6.156 50 10 KKCARN CC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000026967209 553822847 /nfs/dbraw/zinc/82/28/47/553822847.db2.gz AJHNZCYQUZRGLH-DPWKNNTCSA-N 0 0 515.871 5.299 50 10 KKCARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000027018048 553823428 /nfs/dbraw/zinc/82/34/28/553823428.db2.gz NINNQXUXHFZGIV-XHPQRKPJSA-N 0 0 502.599 6.444 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1Cl ZINC000027023942 553824558 /nfs/dbraw/zinc/82/45/58/553824558.db2.gz RLHRJRKDJMNLMI-USJMLKOBSA-N 0 0 509.031 5.281 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000027531174 553832020 /nfs/dbraw/zinc/83/20/20/553832020.db2.gz ASPOVWDVQVDFTK-MBYGRGGXSA-N 0 0 515.060 5.939 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OCC)c3)C2=N)S1 ZINC000027549414 553833743 /nfs/dbraw/zinc/83/37/43/553833743.db2.gz HWVZJEGNRYKOOE-SDQAEVJQSA-N 0 0 527.046 6.006 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000027549732 553833760 /nfs/dbraw/zinc/83/37/60/553833760.db2.gz HKAGHHXPVHUJJI-OHMBLGONSA-N 0 0 506.628 5.435 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 ZINC000027549720 553833807 /nfs/dbraw/zinc/83/38/07/553833807.db2.gz YLVGTVRVULBAGB-OHMBLGONSA-N 0 0 506.628 5.435 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000027549725 553833823 /nfs/dbraw/zinc/83/38/23/553833823.db2.gz GVTDQAKIWOCDOA-VKRJAPGXSA-N 0 0 506.628 5.517 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 ZINC000027549711 553833846 /nfs/dbraw/zinc/83/38/46/553833846.db2.gz IJHIUDDUMVYCGG-ZSEUTSBQSA-N 0 0 504.612 5.352 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000027549839 553834090 /nfs/dbraw/zinc/83/40/90/553834090.db2.gz CHTJNBBJFSEVCJ-QYCAXFPOSA-N 0 0 520.655 5.825 50 10 KKCARN CCCCCC[C@H](CC[n+]1c(/C=C(/C=C2\Sc3ccc(OC)cc3N2CC)CC)sc2ccc(OC)cc21)S(=O)(=O)[O-] ZINC000097955906 553834865 /nfs/dbraw/zinc/83/48/65/553834865.db2.gz BNOWNSKQWMPFPV-AREMUKBSSA-O 0 0 631.906 8.090 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000029491232 553845010 /nfs/dbraw/zinc/84/50/10/553845010.db2.gz RUFOHHCUCSPAKB-CEUNXORHSA-N 0 0 621.788 6.778 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029491849 553845215 /nfs/dbraw/zinc/84/52/15/553845215.db2.gz MCJOCINLOZBLBP-JERPQPCYSA-N 0 0 608.743 6.000 50 10 KKCARN Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000029747546 553847978 /nfs/dbraw/zinc/84/79/78/553847978.db2.gz YSRCQQXWJHNZIF-UQQQWYQISA-N 0 0 556.713 5.456 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000097957751 553848155 /nfs/dbraw/zinc/84/81/55/553848155.db2.gz TUCLMUQHEQYQOB-XIEYBQDHSA-N 0 0 526.079 6.992 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C ZINC000097957746 553848204 /nfs/dbraw/zinc/84/82/04/553848204.db2.gz PFZMARVUGPWJEG-FCWYARTDSA-N 0 0 526.618 5.437 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000097957897 553849448 /nfs/dbraw/zinc/84/94/48/553849448.db2.gz GROHIVULQBZUCH-LEXTUMAWSA-N 0 0 543.443 5.253 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(Br)cc4)c(OC)c3)C2=N)S1 ZINC000097958075 553851142 /nfs/dbraw/zinc/85/11/42/553851142.db2.gz OTTXUCOOYGBBEO-RIXDGJCHSA-N 0 0 608.312 5.707 50 10 KKCARN CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097958112 553851393 /nfs/dbraw/zinc/85/13/93/553851393.db2.gz YLMHYVHMHQXGEN-LFVJCYFKSA-N 0 0 539.513 7.162 50 10 KKCARN Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000097958147 553851804 /nfs/dbraw/zinc/85/18/04/553851804.db2.gz VNPBILVEXQPBOW-OYKKKHCWSA-N 0 0 544.525 7.469 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000097958526 553855439 /nfs/dbraw/zinc/85/54/39/553855439.db2.gz MZCMUQQQCUWTDS-FHTWBVKSSA-N 0 0 599.869 6.497 50 10 KKCARN Cc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2Cl)cc1 ZINC000097958596 553856215 /nfs/dbraw/zinc/85/62/15/553856215.db2.gz LWKKPLBRHNVMHV-PPEBRGLFSA-N 0 0 585.900 7.080 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOCCOc1ccccc1 ZINC000097958627 553856422 /nfs/dbraw/zinc/85/64/22/553856422.db2.gz JFRKRSVYXWOULG-MOHJPFBDSA-N 0 0 542.078 6.229 50 10 KKCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(OCCOc5ccc(C(C)(C)C)cc5)cc4)C3=N)S2)cc1 ZINC000097958807 553857973 /nfs/dbraw/zinc/85/79/73/553857973.db2.gz OPUKMQHYICDSBR-UBOOULPNSA-N 0 0 538.673 6.418 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Br)cc4)cc3)C2=N)S1 ZINC000097958883 553858743 /nfs/dbraw/zinc/85/87/43/553858743.db2.gz NABXLPUOBRDLEF-UQIALHJZSA-N 0 0 527.444 5.716 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000097959041 553860039 /nfs/dbraw/zinc/86/00/39/553860039.db2.gz FSWUCHDQPYDWQS-HNZQFXJSSA-N 0 0 583.522 6.841 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 ZINC000097959126 553861069 /nfs/dbraw/zinc/86/10/69/553861069.db2.gz YNFWDUHMRUALAD-KOEQRZSOSA-N 0 0 540.106 7.219 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000097959417 553863650 /nfs/dbraw/zinc/86/36/50/553863650.db2.gz NIEXFYRXESPFHC-PERRAXLGSA-N 0 0 604.470 5.404 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)ccc1OCc1ccccc1F ZINC000097959425 553863661 /nfs/dbraw/zinc/86/36/61/553863661.db2.gz ZPDDGQDBFONNQD-NSLYMETJSA-N 0 0 546.649 6.313 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2cc(C)ccc2n1CCCOc1ccccc1 ZINC000097959537 553864527 /nfs/dbraw/zinc/86/45/27/553864527.db2.gz QTGDPEVLAPRXHV-DNKLRWHDSA-N 0 0 563.683 6.425 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000097960731 553873344 /nfs/dbraw/zinc/87/33/44/553873344.db2.gz GMEMRTOQEUXHKH-HRAHYRFZSA-N 0 0 614.724 6.373 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1Br ZINC000097960942 553874362 /nfs/dbraw/zinc/87/43/62/553874362.db2.gz JECJMOMYOKLKAP-UYRXBGFRSA-N 0 0 525.240 7.000 50 10 KKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1Br ZINC000097960943 553874395 /nfs/dbraw/zinc/87/43/95/553874395.db2.gz YXYXAYFVXBZNKF-NKFKGCMQSA-N 0 0 523.430 7.673 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl ZINC000097961913 553881709 /nfs/dbraw/zinc/88/17/09/553881709.db2.gz KYAAIDUPFLZOMA-METPVLKDSA-N 0 0 609.129 6.325 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000097962104 553883044 /nfs/dbraw/zinc/88/30/44/553883044.db2.gz LBXBDHXSJNVVSS-LPYMAVHISA-N 0 0 638.392 7.280 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000097962100 553883090 /nfs/dbraw/zinc/88/30/90/553883090.db2.gz ZVNZVRYLZUFWJZ-WSDLNYQXSA-N 0 0 545.469 6.127 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000097962214 553883904 /nfs/dbraw/zinc/88/39/04/553883904.db2.gz DSNNPVBKPPAIME-UFFVCSGVSA-N 0 0 646.330 7.731 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=N)S1 ZINC000097962971 553886097 /nfs/dbraw/zinc/88/60/97/553886097.db2.gz KPEJCOQHMSDEQF-IDQZTLFTSA-N 0 0 561.889 6.499 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)cc1C ZINC000033040549 553893805 /nfs/dbraw/zinc/89/38/05/553893805.db2.gz IQYMMDOCKASFAC-LJAQVGFWSA-N 0 0 510.707 7.238 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1F ZINC000033040599 553894002 /nfs/dbraw/zinc/89/40/02/553894002.db2.gz RLINUAYNBOLSPU-MUUNZHRXSA-N 0 0 514.670 7.068 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1cc(C)ccc1C)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033051205 553895952 /nfs/dbraw/zinc/89/59/52/553895952.db2.gz OGJLTHIMANQRLC-WJOKGBTCSA-N 0 0 530.676 6.791 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000097964123 553896526 /nfs/dbraw/zinc/89/65/26/553896526.db2.gz KJFUBQUXMHRYJH-XDHOZWIPSA-N 0 0 546.489 6.140 50 10 KKCARN Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c3ccccc32)c1 ZINC000097964345 553897468 /nfs/dbraw/zinc/89/74/68/553897468.db2.gz BNBDAZPVUSPIFE-FMCGABEWSA-N 0 0 579.751 7.237 50 10 KKCARN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C2=N)S1 ZINC000097964936 553901958 /nfs/dbraw/zinc/90/19/58/553901958.db2.gz QKZYQKMICHXDHP-DTYYGWTMSA-N 0 0 574.493 7.003 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc(-c4ccccc4)nc4ccccc42)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965103 553902875 /nfs/dbraw/zinc/90/28/75/553902875.db2.gz ZTWWPEIOZQTTCH-QSHFERGKSA-N 0 0 605.786 8.471 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965172 553903388 /nfs/dbraw/zinc/90/33/88/553903388.db2.gz OCKBIWXCNUZBMP-GXHXGEPUSA-N 0 0 558.726 7.174 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965170 553903405 /nfs/dbraw/zinc/90/34/05/553903405.db2.gz OCKBIWXCNUZBMP-XBUFRAFFSA-N 0 0 558.726 7.174 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2Br)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965204 553903576 /nfs/dbraw/zinc/90/35/76/553903576.db2.gz XXRNAIWQMCXRLV-RBHYIFIUSA-N 0 0 557.536 7.018 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000097966239 553907892 /nfs/dbraw/zinc/90/78/92/553907892.db2.gz HVLJJOOZXVKPJQ-VNBAYUTASA-N 0 0 591.487 5.891 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Br)cc1 ZINC000097966472 553909062 /nfs/dbraw/zinc/90/90/62/553909062.db2.gz TUCDNVVJGKLYNP-PDGQHHTCSA-N 0 0 604.550 6.542 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1CN(C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000033266839 553917478 /nfs/dbraw/zinc/91/74/78/553917478.db2.gz CFKUHDKKFXZRQS-GDLZYMKVSA-N 0 0 520.612 6.314 50 10 KKCARN CCOCCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 ZINC000033266850 553917522 /nfs/dbraw/zinc/91/75/22/553917522.db2.gz CTPUMKVSARGRFJ-NDEPHWFRSA-N 0 0 512.658 5.079 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(OC)ccc3N(C(C)=O)C(C)(C)C2=S)S1 ZINC000033345132 553921916 /nfs/dbraw/zinc/92/19/16/553921916.db2.gz AEKMSIVLMTVKEH-LKUDQCMESA-N 0 0 511.690 6.291 50 10 KKCARN Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000033349834 553922478 /nfs/dbraw/zinc/92/24/78/553922478.db2.gz QIOHASBCSJFNPG-AXZYZTBISA-N 0 0 518.440 5.833 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1C ZINC000033352610 553922580 /nfs/dbraw/zinc/92/25/80/553922580.db2.gz WSLSJGYZWDMVHD-PCLIKHOPSA-N 0 0 515.660 6.631 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1 ZINC000033353384 553924728 /nfs/dbraw/zinc/92/47/28/553924728.db2.gz UWPVRHMYRQKZBO-NJNXFGOHSA-N 0 0 559.463 8.924 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccccc1 ZINC000033355460 553935042 /nfs/dbraw/zinc/93/50/42/553935042.db2.gz KNSXYDUHMDLLKC-RCCKNPSSSA-N 0 0 598.305 7.764 50 10 KKCARN O=c1c2cc(I)ccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1Cc1ccccc1 ZINC000097968978 553935417 /nfs/dbraw/zinc/93/54/17/553935417.db2.gz CBOANTJEODZHOQ-OBGWFSINSA-N 0 0 593.468 7.223 50 10 KKCARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000033356008 553938301 /nfs/dbraw/zinc/93/83/01/553938301.db2.gz YYDDDGCWMWJLTM-UHFFFAOYSA-N 0 0 533.971 7.075 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000033357141 553946827 /nfs/dbraw/zinc/94/68/27/553946827.db2.gz MXDJDFQBOZRGJA-UHFFFAOYSA-N 0 0 595.055 6.366 50 10 KKCARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000033357601 553949224 /nfs/dbraw/zinc/94/92/24/553949224.db2.gz NOYBIBWBXUZFEQ-UHFFFAOYSA-N 0 0 530.625 5.455 50 10 KKCARN Cc1c2c3cc(-c4ccccc4)c(/N=N/c4ccc(Br)cc4)n3nc(C)c2c(C)n1-c1ccc(C)cc1 ZINC000097971154 553961084 /nfs/dbraw/zinc/96/10/84/553961084.db2.gz WGPQCYKSGOKUAY-JEIPZWNWSA-N 0 0 548.488 9.357 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097971157 553961095 /nfs/dbraw/zinc/96/10/95/553961095.db2.gz UVJNOXXQSVICLT-JWABDOFGSA-N 0 0 558.082 6.817 50 10 KKCARN N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000033586334 553963497 /nfs/dbraw/zinc/96/34/97/553963497.db2.gz NDAIDCDTFSLXDL-DAVZBEIMSA-N 0 0 521.602 5.418 50 10 KKCARN O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000033600926 553964160 /nfs/dbraw/zinc/96/41/60/553964160.db2.gz JLKYJYCJYTWJIV-TVPGTPATSA-N 0 0 502.322 6.524 50 10 KKCARN CCOC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)c1 ZINC000033770791 553972914 /nfs/dbraw/zinc/97/29/14/553972914.db2.gz QUCSCDTYPXJRMW-QFIPXVFZSA-N 0 0 514.419 6.996 50 10 KKCARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000097976819 553973081 /nfs/dbraw/zinc/97/30/81/553973081.db2.gz VFEIETOQNYMHJI-YADARESESA-N 0 0 550.236 6.721 50 10 KKCARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000033922336 553976808 /nfs/dbraw/zinc/97/68/08/553976808.db2.gz BPIRDENPHYEOFU-SZXQPVLSSA-N 0 0 511.577 7.748 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4S[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000033934954 553977560 /nfs/dbraw/zinc/97/75/60/553977560.db2.gz HVQFYVSVNPLREU-SWFBWHSRSA-N 0 0 517.606 6.048 50 10 biogenic KKCARN CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 ZINC000097979400 553979066 /nfs/dbraw/zinc/97/90/66/553979066.db2.gz CGUOVASVHQJENM-CXUHLZMHSA-N 0 0 560.619 5.165 50 10 KKCARN CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000034378735 553981513 /nfs/dbraw/zinc/98/15/13/553981513.db2.gz KVYCUTGBNCTDJB-OZNIXHKMSA-N 0 0 523.604 6.273 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(NS(=O)(=O)C=Cc4ccccc4)cc3)c2C)cc1 ZINC000097980090 553985122 /nfs/dbraw/zinc/98/51/22/553985122.db2.gz YBNICKULBKDJLO-ISLYRVAYSA-N 0 0 544.629 5.555 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000034861901 554021704 /nfs/dbraw/zinc/02/17/04/554021704.db2.gz DOMAQNZTRFIJBY-JWGRYVKWSA-N 0 0 520.680 6.865 50 10 KKCARN COc1ccc(-c2ccc(CCC(=O)NCc3ccc(F)cc3Cl)n2-c2ccc(SC)cc2)cc1 ZINC000034915640 554029855 /nfs/dbraw/zinc/02/98/55/554029855.db2.gz YGOMPBXSLZQHDS-UHFFFAOYSA-N 0 0 509.046 6.916 50 10 KKCARN CC(=O)Nc1ccc(-n2c(CCC(=O)N3CCN(c4ccccc4)CC3)ccc2-c2ccc(F)cc2)cc1 ZINC000034915636 554029888 /nfs/dbraw/zinc/02/98/88/554029888.db2.gz GJRWIEURWSXLKE-UHFFFAOYSA-N 0 0 510.613 5.523 50 10 KKCARN Cc1cc(C)c(C(=O)Nc2ccc(NC(=O)c3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1 ZINC000097994441 554031785 /nfs/dbraw/zinc/03/17/85/554031785.db2.gz DJXLHUQVJIATMT-UHFFFAOYSA-N 0 0 530.624 6.817 50 10 KKCARN COc1ccc(OC)c(-n2c(C)c(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2-c2ccccc2)c1 ZINC000035074675 554034060 /nfs/dbraw/zinc/03/40/60/554034060.db2.gz AHWOZNWESJBJHW-PMERELPUSA-N 0 0 516.641 7.184 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1cc(OC)cc(OC)c1 ZINC000097999415 554042952 /nfs/dbraw/zinc/04/29/52/554042952.db2.gz BAMDSRDPHUFIIT-UHFFFAOYSA-N 0 0 615.751 5.618 50 10 KKCARN O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc2c(c1)OCCO2 ZINC000035623025 554061736 /nfs/dbraw/zinc/06/17/36/554061736.db2.gz KYCCNYQGZYYNHW-FQEVSTJZSA-N 0 0 500.392 6.591 50 10 KKCARN CCOC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OCC)c2O)c2ccc(C(F)(F)F)cc2)c1O ZINC000098008172 554066607 /nfs/dbraw/zinc/06/66/07/554066607.db2.gz JBILIKNTMULOFV-UHFFFAOYSA-N 0 0 528.570 6.390 50 10 KKCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)nn3-c3cccc(Cl)c3)CC2)cc1 ZINC000035726158 554068574 /nfs/dbraw/zinc/06/85/74/554068574.db2.gz GHZJHSZPYVETOO-UHFFFAOYSA-N 0 0 507.421 5.817 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccccc2F)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000098010827 554074881 /nfs/dbraw/zinc/07/48/81/554074881.db2.gz OADULYPHIHUKBV-UHFFFAOYSA-N 0 0 569.699 5.696 50 10 KKCARN COc1ccc(OC)c(-n2c(C)c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2-c2ccccc2)c1 ZINC000035829029 554079301 /nfs/dbraw/zinc/07/93/01/554079301.db2.gz GRWPFDCLPSDXDH-JLHYYAGUSA-N 0 0 521.661 5.941 50 10 KKCARN CCOc1ccc(-n2c(C)c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2-c2ccccc2)cc1 ZINC000035829042 554079330 /nfs/dbraw/zinc/07/93/30/554079330.db2.gz FSCYBJSXOOILHD-UHFFFAOYSA-N 0 0 520.633 5.972 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000035840397 554080423 /nfs/dbraw/zinc/08/04/23/554080423.db2.gz CAFMMSRTIRABLN-JFHPUIQFSA-N 0 0 525.604 6.402 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000035844206 554082374 /nfs/dbraw/zinc/08/23/74/554082374.db2.gz LBNIJUQIRXNRNY-NGDRWEMDSA-N 0 0 513.568 6.450 50 10 KKCARN Cc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035844040 554082365 /nfs/dbraw/zinc/08/23/65/554082365.db2.gz SRVVVALPRGEYOQ-ZONZVBGPSA-N 0 0 510.033 6.697 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000035851484 554083485 /nfs/dbraw/zinc/08/34/85/554083485.db2.gz RMFNDXKXJHGKTF-ULNSLHSMSA-N 0 0 514.556 5.845 50 10 KKCARN CC(C)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000035848338 554083536 /nfs/dbraw/zinc/08/35/36/554083536.db2.gz LLWSUTAUSNSZOE-YKILCQELSA-N 0 0 523.632 7.126 50 10 KKCARN CCc1cccc2c([C@@H](CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888981 554089734 /nfs/dbraw/zinc/08/97/34/554089734.db2.gz RXRJDDFCWZWBCY-SANMLTNESA-N 0 0 511.622 5.338 50 10 KKCARN COc1ccc(N2CCN(c3cc(C)nc(SCc4ccc(C(=O)Nc5ccc(F)cc5)o4)n3)CC2)cc1 ZINC000098015140 554096212 /nfs/dbraw/zinc/09/62/12/554096212.db2.gz BTYYAVWJYXXKCR-UHFFFAOYSA-N 0 0 533.629 5.397 50 10 KKCARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000098017629 554109340 /nfs/dbraw/zinc/10/93/40/554109340.db2.gz IOEYOMIRSLXMNJ-UHFFFAOYSA-N 0 0 586.780 6.874 50 10 KKCARN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c(C)n2-c2ccccc2F)c1 ZINC000098019643 554113553 /nfs/dbraw/zinc/11/35/53/554113553.db2.gz VDPFLSJTLXZIAU-UHFFFAOYSA-N 0 0 542.567 5.107 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3ccccc3OCC)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098048247 554160726 /nfs/dbraw/zinc/16/07/26/554160726.db2.gz IHKWJKWDGKCVOQ-UHFFFAOYSA-N 0 0 539.654 5.543 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(I)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccccc1 ZINC000098048831 554162135 /nfs/dbraw/zinc/16/21/35/554162135.db2.gz MWUMABFFXNCEIA-SETSBSEESA-N 0 0 610.403 6.030 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000100041120 554192115 /nfs/dbraw/zinc/19/21/15/554192115.db2.gz MIIUCHHUSGDRNF-YAGSLNJISA-N 0 0 532.648 6.357 50 10 KKCARN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=[NH+]c1cccc(=NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)[nH]1 ZINC000100040947 554192269 /nfs/dbraw/zinc/19/22/69/554192269.db2.gz NQIUUQWGFXDBRS-YFJQDTPYSA-N 0 0 505.582 5.135 50 10 KKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000100041131 554192291 /nfs/dbraw/zinc/19/22/91/554192291.db2.gz DPSXIFOHJLSACJ-HJVIKEODSA-N 0 0 532.648 6.357 50 10 KKCARN COc1ccc(C(=O)Nc2ccccc2)cc1NN=C1c2ccccc2C=C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000100045243 554193213 /nfs/dbraw/zinc/19/32/13/554193213.db2.gz GLZGTQYOWXFUNZ-XAHDOWKMSA-N 0 0 561.554 7.382 50 10 KKCARN O=C1NC(=S)S/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000100055381 554196267 /nfs/dbraw/zinc/19/62/67/554196267.db2.gz HEZULKXHAHZRSM-XQNSMLJCSA-N 0 0 517.473 7.063 50 10 KKCARN CC(C)CC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000100083358 554207792 /nfs/dbraw/zinc/20/77/92/554207792.db2.gz ZKLXPBRMHZFPHR-JJEHFPDLSA-N 0 0 557.952 6.325 50 10 KKCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000100148793 554231039 /nfs/dbraw/zinc/23/10/39/554231039.db2.gz PYAKYNZUDFZNJN-NCSHVNCESA-N 0 0 526.547 5.710 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](C=Cc1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100157543 554233225 /nfs/dbraw/zinc/23/32/25/554233225.db2.gz ADDCJVMJQJXQLR-LMUXAACNSA-N 0 0 518.352 5.029 50 10 KKCARN CCCCOc1ccc(C2=NC(=CNc3ccc(Br)cc3C(=O)c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000100178301 554241205 /nfs/dbraw/zinc/24/12/05/554241205.db2.gz MYPJQLJPXDYNRI-IWIPYMOSSA-N 0 0 588.285 7.423 50 10 KKCARN CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000037423677 554243750 /nfs/dbraw/zinc/24/37/50/554243750.db2.gz IPULRSPIQOIUQC-NRFANRHFSA-N 0 0 518.720 5.872 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1Br ZINC000100192131 554245075 /nfs/dbraw/zinc/24/50/75/554245075.db2.gz NDRKWUKNTMBQGP-CAPFRKAQSA-N 0 0 547.246 7.943 50 10 KKCARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000100192126 554245112 /nfs/dbraw/zinc/24/51/12/554245112.db2.gz ORACKWQPQXFARY-XMHGGMMESA-N 0 0 537.240 8.487 50 10 KKCARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260383 554265522 /nfs/dbraw/zinc/26/55/22/554265522.db2.gz BVMJFRPJFACDJQ-YVNNLAQVSA-N 0 0 538.880 7.766 50 10 KKCARN O=C1/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 ZINC000100260408 554265594 /nfs/dbraw/zinc/26/55/94/554265594.db2.gz ZRLYUBKRHJRFBK-NHDPSOOVSA-N 0 0 522.425 7.252 50 10 KKCARN N=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000100266680 554267158 /nfs/dbraw/zinc/26/71/58/554267158.db2.gz DFQVVYMOZABPLF-UQNSKHTCSA-N 0 0 541.847 6.893 50 10 KKCARN Cc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1C ZINC000100266815 554267163 /nfs/dbraw/zinc/26/71/63/554267163.db2.gz ZYIZVIRTIQLFNT-LHFQHGSDSA-N 0 0 526.618 5.459 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(Br)c1OCc1ccccc1F ZINC000100266695 554267185 /nfs/dbraw/zinc/26/71/85/554267185.db2.gz CQMGLTJPNIQRJT-WFJZUQIDSA-N 0 0 599.869 6.497 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100267579 554267675 /nfs/dbraw/zinc/26/76/75/554267675.db2.gz AWRUJCSTUAETFD-INKCSCAPSA-N 0 0 536.440 6.885 50 10 KKCARN N=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100267694 554267972 /nfs/dbraw/zinc/26/79/72/554267972.db2.gz BIKQYJVPFZJPQY-BBDFVPCZSA-N 0 0 529.452 7.301 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000100269794 554268842 /nfs/dbraw/zinc/26/88/42/554268842.db2.gz RGZVNPRZAUPXLH-KQWNVCNZSA-N 0 0 542.476 6.321 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 ZINC000100269858 554268852 /nfs/dbraw/zinc/26/88/52/554268852.db2.gz KFJZJNGDLVODCI-JWGURIENSA-N 0 0 542.476 6.321 50 10 KKCARN COc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2cccc(Cl)c2C)cc1Br ZINC000100285850 554279915 /nfs/dbraw/zinc/27/99/15/554279915.db2.gz CDRLIUQHGRQIGC-NDENLUEZSA-N 0 0 526.774 6.162 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OC(=O)c1cccs1 ZINC000100300381 554290811 /nfs/dbraw/zinc/29/08/11/554290811.db2.gz ILDFBONMTJYLDE-PXLXIMEGSA-N 0 0 563.682 5.180 50 10 KKCARN O=C(Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3)cc1C2=O)c1ccc(Cl)cc1 ZINC000043190987 554297744 /nfs/dbraw/zinc/29/77/44/554297744.db2.gz IVMMANMPWOTTAJ-UHFFFAOYSA-N 0 0 515.352 6.273 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000044086222 554300299 /nfs/dbraw/zinc/30/02/99/554300299.db2.gz NPLBGRFJASASLG-UHFFFAOYSA-N 0 0 502.821 6.338 50 10 KKCARN O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000044086395 554300595 /nfs/dbraw/zinc/30/05/95/554300595.db2.gz UUMYSQKMPCXSRN-UHFFFAOYSA-N 0 0 512.860 6.745 50 10 KKCARN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000100316659 554303026 /nfs/dbraw/zinc/30/30/26/554303026.db2.gz ZWFLCNKLMMTZAY-FSJBWODESA-N 0 0 619.946 6.543 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000100319227 554303826 /nfs/dbraw/zinc/30/38/26/554303826.db2.gz QUPBXDGBYHJSHK-LIQPLZLLSA-N 0 0 554.915 6.070 50 10 KKCARN CCN(CC)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)OC)cc1 ZINC000049597332 554323590 /nfs/dbraw/zinc/32/35/90/554323590.db2.gz JEWBHOYZNPPTKZ-RRPNLBNLSA-N 0 0 508.460 5.984 50 10 KKCARN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)cc1 ZINC000100342490 554327510 /nfs/dbraw/zinc/32/75/10/554327510.db2.gz UGGVXMDTGAXJHT-OEAKJJBVSA-N 0 0 543.483 6.639 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(N(C)C)cc1)N1c3ccccc3N=C(Nc3cccc(C(F)(F)F)c3)C1=N2 ZINC000053319441 554337988 /nfs/dbraw/zinc/33/79/88/554337988.db2.gz PYNLNWZBZBNYGV-LJAQVGFWSA-N 0 0 592.629 7.456 50 10 KKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000100357447 554338061 /nfs/dbraw/zinc/33/80/61/554338061.db2.gz QYIMYQXPDMTBNN-LGJNPRDNSA-N 0 0 586.497 7.563 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053362875 554345536 /nfs/dbraw/zinc/34/55/36/554345536.db2.gz FIVXQSCFMBHISA-GMAHTHKFSA-N 0 0 500.234 6.448 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1 ZINC000053363051 554345782 /nfs/dbraw/zinc/34/57/82/554345782.db2.gz ALZJEZFFBVWKGI-RBBKRZOGSA-N 0 0 504.197 6.279 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000053363016 554345851 /nfs/dbraw/zinc/34/58/51/554345851.db2.gz ACCLZQXCHVRKEH-ZJSXRUAMSA-N 0 0 530.260 6.538 50 10 KKCARN CCc1ccc(C2=N[C@H](c3cccc(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363592 554345866 /nfs/dbraw/zinc/34/58/66/554345866.db2.gz KVDFKHAYNIFAND-VWNXMTODSA-N 0 0 514.261 6.702 50 10 KKCARN CCc1ccc(C2=N[C@@H](c3cccc(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053363590 554345899 /nfs/dbraw/zinc/34/58/99/554345899.db2.gz KVDFKHAYNIFAND-LADGPHEKSA-N 0 0 514.261 6.702 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000053363018 554345915 /nfs/dbraw/zinc/34/59/15/554345915.db2.gz ACCLZQXCHVRKEH-XUZZJYLKSA-N 0 0 530.260 6.538 50 10 KKCARN Oc1ccc(Br)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363745 554346176 /nfs/dbraw/zinc/34/61/76/554346176.db2.gz JBQSVYGTPABCEM-XXBNENTESA-N 0 0 520.210 6.413 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364045 554346459 /nfs/dbraw/zinc/34/64/59/554346459.db2.gz IYMCCEXUQWAEQF-HOFKKMOUSA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364093 554346464 /nfs/dbraw/zinc/34/64/64/554346464.db2.gz SAHGCGVIBHSMCZ-XUZZJYLKSA-N 0 0 548.250 6.678 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053364100 554346512 /nfs/dbraw/zinc/34/65/12/554346512.db2.gz OAHHSKRIWHSQHN-PXDATVDWSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000053363917 554346533 /nfs/dbraw/zinc/34/65/33/554346533.db2.gz JSXLROCUYBSPBK-FNZWTVRRSA-N 0 0 525.399 5.513 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3cc(Br)ccc3OC)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364313 554346974 /nfs/dbraw/zinc/34/69/74/554346974.db2.gz ASERXXSQARFFFL-WIOPSUGQSA-N 0 0 560.286 6.547 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364393 554347022 /nfs/dbraw/zinc/34/70/22/554347022.db2.gz BAXUCGYUXLJKSF-VWNXMTODSA-N 0 0 503.799 6.568 50 10 KKCARN Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364719 554347231 /nfs/dbraw/zinc/34/72/31/554347231.db2.gz ZBHUDMMTHQOZRG-GGAORHGYSA-N 0 0 518.224 6.587 50 10 KKCARN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000053364529 554347343 /nfs/dbraw/zinc/34/73/43/554347343.db2.gz NRGHEBWZFTYVKU-RBBKRZOGSA-N 0 0 520.652 6.793 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364945 554347553 /nfs/dbraw/zinc/34/75/53/554347553.db2.gz ZVKCXJKAQZQBJU-ZJSXRUAMSA-N 0 0 548.250 6.678 50 10 KKCARN COc1cccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364971 554347592 /nfs/dbraw/zinc/34/75/92/554347592.db2.gz ZAPDWRHVIOUGAZ-QPPBQGQZSA-N 0 0 546.259 6.157 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000100365559 554351707 /nfs/dbraw/zinc/35/17/07/554351707.db2.gz UPFITTRDIPGPAU-YDZHTSKRSA-N 0 0 569.502 6.189 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc(Br)c1 ZINC000100391161 554367008 /nfs/dbraw/zinc/36/70/08/554367008.db2.gz LZAYQXOWNYIWJY-UYRXBGFRSA-N 0 0 537.240 8.487 50 10 KKCARN O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4Cl)S3)CC2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000100393340 554367949 /nfs/dbraw/zinc/36/79/49/554367949.db2.gz KSZSLUABWDGWHN-KFSYKRRRSA-N 0 0 598.364 6.559 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 ZINC000100414433 554378602 /nfs/dbraw/zinc/37/86/02/554378602.db2.gz NPUGASPDXRYGGI-QKDODKLFSA-N 0 0 533.967 5.702 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000100414479 554378893 /nfs/dbraw/zinc/37/88/93/554378893.db2.gz MAVJYUGKUNIXSN-VJGNERBWSA-N 0 0 584.411 6.481 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000100415383 554381540 /nfs/dbraw/zinc/38/15/40/554381540.db2.gz IYQTVQXGMVBYEC-HBMCJLEFSA-N 0 0 525.866 5.054 50 10 KKCARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O ZINC000100415517 554381712 /nfs/dbraw/zinc/38/17/12/554381712.db2.gz JZOIVSPAXVUOLB-FKBYEOEOSA-N 0 0 550.792 5.106 50 10 KKCARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000100425365 554386279 /nfs/dbraw/zinc/38/62/79/554386279.db2.gz BTCAUABYJCBUGL-OGVWKLGRSA-N 0 0 548.086 8.270 50 10 KKCARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100425344 554386360 /nfs/dbraw/zinc/38/63/60/554386360.db2.gz SHVQVTXCVUTPDW-OOOSNSGVSA-N 0 0 513.641 7.617 50 10 KKCARN O=C(c1ccccc1)N1CCC(CNC=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 ZINC000100432856 554392431 /nfs/dbraw/zinc/39/24/31/554392431.db2.gz PUXFQODMCDTAAW-HIXSDJFHSA-N 0 0 521.646 5.073 50 10 KKCARN O=C1C(=CNCCC(c2ccccc2)c2ccccc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000100437504 554393092 /nfs/dbraw/zinc/39/30/92/554393092.db2.gz FMBBAZKULNNUBY-HPNDGRJYSA-N 0 0 514.654 6.743 50 10 KKCARN Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 ZINC000100501513 554405791 /nfs/dbraw/zinc/40/57/91/554405791.db2.gz SSFAFBRLQLHNAE-HHIUUMQKSA-N 0 0 579.897 7.040 50 10 KKCARN CCCCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCCCC)C2=O)SC1=S ZINC000100501876 554406057 /nfs/dbraw/zinc/40/60/57/554406057.db2.gz SWFDXLFAXRPNJJ-QURGRASLSA-N 0 0 602.866 5.726 50 10 KKCARN CCOC(=O)N1CCc2c(sc(NCc3cc(OC)ccc3OC)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000059586837 554407393 /nfs/dbraw/zinc/40/73/93/554407393.db2.gz XTIFWIBKNHCAHO-UHFFFAOYSA-N 0 0 555.653 5.162 50 10 KKCARN CC1=C(c2ccccc2)c2cc(Br)ccc2N[C@@H]1Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000100555852 554416024 /nfs/dbraw/zinc/41/60/24/554416024.db2.gz TZLQSFLJERVYLQ-GDLZYMKVSA-N 0 0 574.316 8.128 50 10 KKCARN COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl ZINC000059645990 554416815 /nfs/dbraw/zinc/41/68/15/554416815.db2.gz PLTSQYHPIVEITB-XFAGBWLFSA-N 0 0 565.722 8.823 50 10 KKCARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000059646055 554417210 /nfs/dbraw/zinc/41/72/10/554417210.db2.gz FXEBNUNYCFOAEN-HHJKRLRDSA-N 0 0 529.887 7.038 50 10 KKCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccccc2Br)cc1 ZINC000100561986 554418343 /nfs/dbraw/zinc/41/83/43/554418343.db2.gz MXTGKIJGIMTNKE-PXLXIMEGSA-N 0 0 543.259 5.687 50 10 KKCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccc(Br)cc2Br)C(=O)Nc2ccccc2F)cc1 ZINC000100563213 554418876 /nfs/dbraw/zinc/41/88/76/554418876.db2.gz XNAADSBYFUPPFL-XKZIYDEJSA-N 0 0 561.249 5.826 50 10 KKCARN CCOC(=O)C1=C(C(=O)OCC)SC(=C2c3cc(C)ccc3N(C(=O)c3ccc(C)cc3)C(C)(C)C2=S)S1 ZINC000059706084 554425657 /nfs/dbraw/zinc/42/56/57/554425657.db2.gz HHEPXXZNMBKJLP-UHFFFAOYSA-N 0 0 567.754 6.599 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(OC)cc3N(C(=O)c3cccc(C)c3)C(C)(C)C2=S)S1 ZINC000059824598 554431813 /nfs/dbraw/zinc/43/18/13/554431813.db2.gz ZICNXQZFAHOFKQ-UHFFFAOYSA-N 0 0 555.699 5.519 50 10 KKCARN O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100601212 554431845 /nfs/dbraw/zinc/43/18/45/554431845.db2.gz QNNHHZLAJDEGDH-KEBDBYFISA-N 0 0 547.492 6.720 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000100642104 554436024 /nfs/dbraw/zinc/43/60/24/554436024.db2.gz UXHCNKGOWFNBDJ-PEYOBPGZSA-N 0 0 557.470 5.562 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1cc(C)cc(CC)c1 ZINC000100642212 554436333 /nfs/dbraw/zinc/43/63/33/554436333.db2.gz KTECNISIEPOAPB-DEGVDWGGSA-N 0 0 585.524 6.206 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OCc1ccccc1 ZINC000100656633 554437919 /nfs/dbraw/zinc/43/79/19/554437919.db2.gz NDVWHJJVDNIJTE-XKPYOKEHSA-N 0 0 527.444 5.702 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccccc5C(F)(F)F)c(C)c43)CC2)cc1 ZINC000100664892 554439615 /nfs/dbraw/zinc/43/96/15/554439615.db2.gz XUBBQGGFZZLVCH-UHFFFAOYSA-N 0 0 527.572 5.606 50 10 KKCARN COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc(C)c(Cl)cc5OC)c(C)c43)CC2)cc1 ZINC000100664896 554439985 /nfs/dbraw/zinc/43/99/85/554439985.db2.gz WBAUZHZQWXXXAR-UHFFFAOYSA-N 0 0 538.073 5.558 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000100666719 554440186 /nfs/dbraw/zinc/44/01/86/554440186.db2.gz DELQHDPHXBWWFR-UJSNWEPXSA-N 0 0 560.598 6.238 50 10 KKCARN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21 ZINC000100666649 554440192 /nfs/dbraw/zinc/44/01/92/554440192.db2.gz AZDNMFNZNZGMNJ-ALEMRJAQSA-N 0 0 539.583 6.415 50 10 KKCARN CC(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1 ZINC000100670196 554440981 /nfs/dbraw/zinc/44/09/81/554440981.db2.gz BLGZRELJJCUEBF-HJOGWXRNSA-N 0 0 534.395 5.812 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000100710533 554453649 /nfs/dbraw/zinc/45/36/49/554453649.db2.gz GNUWLPILAHLJJA-WRLNMTLESA-N 0 0 540.645 5.713 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100711578 554453897 /nfs/dbraw/zinc/45/38/97/554453897.db2.gz SEYBKINVDRPIBD-KUMDLULQSA-N 0 0 532.666 5.969 50 10 KKCARN COc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 ZINC000100729547 554459383 /nfs/dbraw/zinc/45/93/83/554459383.db2.gz CDTMQRBDJNKYMG-NQDAVXOOSA-N 0 0 582.059 5.429 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1Br ZINC000100740448 554462841 /nfs/dbraw/zinc/46/28/41/554462841.db2.gz WGQLRCVIFSHWQN-IWIPYMOSSA-N 0 0 605.539 6.165 50 10 KKCARN Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1CCOc1ccccc1Cl ZINC000100745500 554464173 /nfs/dbraw/zinc/46/41/73/554464173.db2.gz PYMMHMFVVQMUFZ-LGYUBBMRSA-N 0 0 531.947 5.864 50 10 KKCARN CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)ccc1Cl ZINC000100752236 554466283 /nfs/dbraw/zinc/46/62/83/554466283.db2.gz FGLWOWKLSREWQQ-UYRXBGFRSA-N 0 0 581.956 5.163 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(I)c1 ZINC000100768287 554470616 /nfs/dbraw/zinc/47/06/16/554470616.db2.gz XHNUBYXFZBXPGJ-YBEGLDIGSA-N 0 0 528.824 5.175 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C ZINC000100773027 554471663 /nfs/dbraw/zinc/47/16/63/554471663.db2.gz YXYMWFLKZPOVRO-FTCFVLISSA-N 0 0 546.048 6.419 50 10 KKCARN CCOc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)cc1 ZINC000100774805 554471880 /nfs/dbraw/zinc/47/18/80/554471880.db2.gz PCVODCQLPUJCGK-AJYIMBPMSA-N 0 0 543.670 5.403 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C ZINC000100785986 554472737 /nfs/dbraw/zinc/47/27/37/554472737.db2.gz IZFNRHZIVJZCGA-PGOXGVTESA-N 0 0 533.719 6.407 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000100789884 554473037 /nfs/dbraw/zinc/47/30/37/554473037.db2.gz LKXXIEOHDJDZRF-STZFKDTASA-N 0 0 528.124 6.316 50 10 KKCARN N=C1/C(=C/c2cccc(OCCOc3ccc(C4CCCCC4)cc3)c2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000100789310 554473042 /nfs/dbraw/zinc/47/30/42/554473042.db2.gz ZCXWTLIQSWTXBG-JZUABAFBSA-N 0 0 549.696 7.496 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4cccc(Cl)c4)C3=O)SC2=S)cc1OC ZINC000100836776 554483731 /nfs/dbraw/zinc/48/37/31/554483731.db2.gz FQGNAJPMWGIPRL-QPLCGJKRSA-N 0 0 594.114 5.157 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1C1CCCCC1 ZINC000100838040 554485169 /nfs/dbraw/zinc/48/51/69/554485169.db2.gz HXXDWPTZOFNBDB-CEUNXORHSA-N 0 0 586.182 8.306 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838051 554485202 /nfs/dbraw/zinc/48/52/02/554485202.db2.gz DTQCPZWQCLZPKL-BRPDVVIDSA-N 0 0 588.198 8.553 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000100838761 554486522 /nfs/dbraw/zinc/48/65/22/554486522.db2.gz VEMPHKTUBCBHKX-ANYBSYGZSA-N 0 0 553.753 7.900 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000100838952 554486709 /nfs/dbraw/zinc/48/67/09/554486709.db2.gz OWURQASKUXGBST-IOGUJBTOSA-N 0 0 553.709 6.499 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1C ZINC000100839475 554487366 /nfs/dbraw/zinc/48/73/66/554487366.db2.gz AWVKDTJLCOIRPD-COEJQBHMSA-N 0 0 591.136 8.088 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000100839769 554487618 /nfs/dbraw/zinc/48/76/18/554487618.db2.gz YWNGHMRNKOWJBS-RRFFURKPSA-N 0 0 553.731 5.025 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c1 ZINC000100839800 554487978 /nfs/dbraw/zinc/48/79/78/554487978.db2.gz ACLUPVYXKYRDAO-CEUNXORHSA-N 0 0 585.751 6.708 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000100840170 554488156 /nfs/dbraw/zinc/48/81/56/554488156.db2.gz JZANTORDKIJZTQ-BRPDVVIDSA-N 0 0 585.751 6.789 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000100840417 554488796 /nfs/dbraw/zinc/48/87/96/554488796.db2.gz RALBDKFBYHTFDT-JDCMOKTRSA-N 0 0 603.769 7.571 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000100840488 554489128 /nfs/dbraw/zinc/48/91/28/554489128.db2.gz ZMTYDVCRQHRESI-XGPRFBRNSA-N 0 0 533.719 6.407 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC(=S)N1Cc1ccco1 ZINC000100840501 554489156 /nfs/dbraw/zinc/48/91/56/554489156.db2.gz LTWKUMKAMKZGRQ-RGXNXFOYSA-N 0 0 599.737 8.266 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000100856975 554493688 /nfs/dbraw/zinc/49/36/88/554493688.db2.gz WPZVRXNFKWLWGJ-CPNJWEJPSA-N 0 0 534.153 6.925 50 10 KKCARN Cc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4cccc(Cl)c4)C3=O)SC2=S)cc1 ZINC000100871308 554498739 /nfs/dbraw/zinc/49/87/39/554498739.db2.gz ASLFYMPUQLAYBI-VHXPQNKSSA-N 0 0 534.062 5.405 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C ZINC000100871484 554499328 /nfs/dbraw/zinc/49/93/28/554499328.db2.gz FVEHRPXLURGKAC-CEUNXORHSA-N 0 0 553.753 7.736 50 10 KKCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Br)c3)C2=O)SC1=S ZINC000100871974 554499964 /nfs/dbraw/zinc/49/99/64/554499964.db2.gz ZHGKHTZYCZGXAZ-MRCUWXFGSA-N 0 0 544.496 5.196 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000100872017 554500265 /nfs/dbraw/zinc/50/02/65/554500265.db2.gz ZEWNXBMSLHNMLB-FCQUAONHSA-N 0 0 554.480 5.750 50 10 KKCARN O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1cccc(Br)c1 ZINC000100871997 554500268 /nfs/dbraw/zinc/50/02/68/554500268.db2.gz RNYSNZWWXCCHSK-FCQUAONHSA-N 0 0 564.486 5.206 50 10 KKCARN Cc1cc(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000100889573 554510913 /nfs/dbraw/zinc/51/09/13/554510913.db2.gz IRKXMNXSYDQVNV-UHFFFAOYSA-N 0 0 618.130 8.428 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C)n1-c1ccc(C)cc1 ZINC000100889903 554511278 /nfs/dbraw/zinc/51/12/78/554511278.db2.gz UAIGQXGQEOQCDN-HXUWFJFHSA-N 0 0 553.753 7.263 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)SC2=S)cc1 ZINC000100893640 554513240 /nfs/dbraw/zinc/51/32/40/554513240.db2.gz GOWUWVIIKITNQR-RQZHXJHFSA-N 0 0 557.697 5.111 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000100895994 554514117 /nfs/dbraw/zinc/51/41/17/554514117.db2.gz HWRVHSFWXVPRGI-CFRMEGHHSA-N 0 0 532.046 6.323 50 10 KKCARN 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CCOc1ccccc1[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O ZINC000103542066 555438680 /nfs/dbraw/zinc/43/86/80/555438680.db2.gz IGJPGVNAHHPVOF-JFHPUIQFSA-N 0 0 570.601 6.310 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103544619 555440056 /nfs/dbraw/zinc/44/00/56/555440056.db2.gz JYMJWURAJYXCMG-OCBJUFRSSA-N 0 0 556.574 5.920 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000103546151 555440646 /nfs/dbraw/zinc/44/06/46/555440646.db2.gz UUPMHDPPIYRJFR-OCBJUFRSSA-N 0 0 558.565 6.359 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000103548163 555442048 /nfs/dbraw/zinc/44/20/48/555442048.db2.gz MYHOACNLOGGVLD-ULNSLHSMSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 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CCc1sc2nc(SCC(=O)c3cc(C)n(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3C)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000150403812 571478828 /nfs/dbraw/zinc/47/88/28/571478828.db2.gz QDHOEQXXDGJSJU-UHFFFAOYSA-N 0 0 692.885 5.730 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000150406528 571479570 /nfs/dbraw/zinc/47/95/70/571479570.db2.gz MBQVYDQMWOZVCX-UHFFFAOYSA-N 0 0 628.194 8.906 50 10 KKCARN COc1ccc(CN2CCN(c3cc(Nc4ccc5c(c4)OCCO5)c4c5c3noc5-c3ccccc3C4=O)CC2)c(OC)c1OC ZINC000150418421 571486382 /nfs/dbraw/zinc/48/63/82/571486382.db2.gz YVMIOJSBOKGHGO-UHFFFAOYSA-N 0 0 634.689 5.902 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)c5ccccc53)C(C(=O)OCC)=C(C)N=4)c2C)cc1 ZINC000150424636 571489396 /nfs/dbraw/zinc/48/93/96/571489396.db2.gz QFFHDTBXTRNUAB-ACHQHTMYSA-N 0 0 649.769 5.544 50 10 KKCARN Nc1c(C(=O)c2ccc(Br)cc2)sc(Nc2ccc(OC(F)F)cc2)c1-c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000150431024 571493268 /nfs/dbraw/zinc/49/32/68/571493268.db2.gz 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CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Sc2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150635636 571524304 /nfs/dbraw/zinc/52/43/04/571524304.db2.gz PLUGFVXVQITWCK-GKTLAHRSSA-N 0 0 653.595 8.582 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(I)cc1)C1(C(=O)c3ccccc3C1=O)N(c1ccccc1)[C@H]2c1ccc(I)cc1 ZINC000150655790 571526871 /nfs/dbraw/zinc/52/68/71/571526871.db2.gz FBHXAVAQDUDYDI-ZWXJPIIXSA-N 0 0 811.413 8.125 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Br)cc1)[C@H]1C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000150657626 571527033 /nfs/dbraw/zinc/52/70/33/571527033.db2.gz BKRVQIIHAFWDFT-GMQQYTKMSA-N 0 0 628.862 6.590 50 10 KKCARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)c(N)c32)cc1 ZINC000215745354 571585798 /nfs/dbraw/zinc/58/57/98/571585798.db2.gz AVMBYZFXQBLLLJ-UHFFFAOYSA-N 0 0 562.695 7.374 50 10 KKCARN COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)sc3n2)cc1 ZINC000215744926 571585816 /nfs/dbraw/zinc/58/58/16/571585816.db2.gz 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COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000227234186 572151783 /nfs/dbraw/zinc/15/17/83/572151783.db2.gz JIHZXFZUKLWBIK-JBOQNHBVSA-N 0 0 590.473 6.774 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000227237895 572151871 /nfs/dbraw/zinc/15/18/71/572151871.db2.gz TYFIRTAJYANBAT-JBOQNHBVSA-N 0 0 598.913 8.272 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)c1 ZINC000227244852 572152687 /nfs/dbraw/zinc/15/26/87/572152687.db2.gz VUTKKSIWHNHNCC-OWHBQTKESA-N 0 0 589.619 6.168 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000227248715 572152758 /nfs/dbraw/zinc/15/27/58/572152758.db2.gz CJSXBFHBKAQADD-DTXPUJKBSA-N 0 0 582.458 7.757 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229597337 572155254 /nfs/dbraw/zinc/15/52/54/572155254.db2.gz RKHHZMPPQMXDKE-JBOQNHBVSA-N 0 0 590.473 6.774 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229608867 572155699 /nfs/dbraw/zinc/15/56/99/572155699.db2.gz KHQDMADGRDSMNN-JBOQNHBVSA-N 0 0 530.023 6.965 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000229605565 572155897 /nfs/dbraw/zinc/15/58/97/572155897.db2.gz QLRCAJYHIBMDHP-NHKHRBQYSA-N 0 0 568.431 7.449 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229614721 572157075 /nfs/dbraw/zinc/15/70/75/572157075.db2.gz AIZCHOJOLGEWAW-QAXCHELISA-N 0 0 571.629 6.029 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000229633865 572158418 /nfs/dbraw/zinc/15/84/18/572158418.db2.gz RCDDHSQHFOGGKX-VJGNERBWSA-N 0 0 556.470 7.371 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229866895 572163017 /nfs/dbraw/zinc/16/30/17/572163017.db2.gz JVNQGQYQKTUPDG-JCYYIGJDSA-N 0 0 565.666 6.069 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229866851 572163279 /nfs/dbraw/zinc/16/32/79/572163279.db2.gz GNHRCODOBKECND-NHKHRBQYSA-N 0 0 560.993 6.565 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229871045 572163679 /nfs/dbraw/zinc/16/36/79/572163679.db2.gz ABEXFCACSIEGCN-NHKHRBQYSA-N 0 0 544.538 6.050 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000229888676 572165572 /nfs/dbraw/zinc/16/55/72/572165572.db2.gz YCMXOSYZKZBHEB-YPKYBTACSA-N 0 0 603.646 6.476 50 10 KKCARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccc(Br)cc2)C12C(=O)c1ccccc1C2=O ZINC000229889338 572165641 /nfs/dbraw/zinc/16/56/41/572165641.db2.gz YKFMYLWCZDBBGK-VJGNERBWSA-N 0 0 554.484 6.806 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229891596 572165701 /nfs/dbraw/zinc/16/57/01/572165701.db2.gz QQFBTAGDOYIDAD-YPKYBTACSA-N 0 0 576.048 6.674 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229893310 572166097 /nfs/dbraw/zinc/16/60/97/572166097.db2.gz QWLRAMATASVKNB-VJGNERBWSA-N 0 0 556.058 6.406 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000229898025 572166494 /nfs/dbraw/zinc/16/64/94/572166494.db2.gz VYKDXBQNMOASHM-IUAQSZDVSA-N 0 0 561.981 6.053 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229905229 572167920 /nfs/dbraw/zinc/16/79/20/572167920.db2.gz ASTJLJCZELZDQM-OJDZSJEKSA-N 0 0 570.601 6.310 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229907339 572168386 /nfs/dbraw/zinc/16/83/86/572168386.db2.gz JKWDMNJDUULXKJ-OJDZSJEKSA-N 0 0 586.600 5.928 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229908916 572168398 /nfs/dbraw/zinc/16/83/98/572168398.db2.gz LNGOJRBOVGDPMW-NHKHRBQYSA-N 0 0 582.077 6.735 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229914882 572168974 /nfs/dbraw/zinc/16/89/74/572168974.db2.gz HUPYRHCTPJHXFZ-QAXCHELISA-N 0 0 557.621 6.849 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229921416 572169695 /nfs/dbraw/zinc/16/96/95/572169695.db2.gz SVXFRJIUMYZNLH-YPKYBTACSA-N 0 0 578.039 7.194 50 10 KKCARN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000229926376 572170200 /nfs/dbraw/zinc/17/02/00/572170200.db2.gz SZNRUMYDPKRDJJ-OZNIXHKMSA-N 0 0 576.996 5.809 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229926813 572170325 /nfs/dbraw/zinc/17/03/25/572170325.db2.gz AZKCTTHVOSEGNN-DCMFLLSESA-N 0 0 599.639 5.945 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000229928370 572170854 /nfs/dbraw/zinc/17/08/54/572170854.db2.gz JOQOPTGQLOFDFJ-FLBADVGZSA-N 0 0 557.577 6.067 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229928824 572170920 /nfs/dbraw/zinc/17/09/20/572170920.db2.gz RTFOKEKRKGDUTN-DCMFLLSESA-N 0 0 555.630 6.329 50 10 KKCARN COc1cc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000229934891 572171063 /nfs/dbraw/zinc/17/10/63/572171063.db2.gz YGBJCZKRUJLZRA-UPRLRBBYSA-N 0 0 586.084 6.414 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229937515 572171926 /nfs/dbraw/zinc/17/19/26/572171926.db2.gz NOYFWFXFCAVOKN-OJDZSJEKSA-N 0 0 559.593 6.159 50 10 KKCARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229951121 572173499 /nfs/dbraw/zinc/17/34/99/572173499.db2.gz BRAMNYTZUZGZFO-RWSKJCERSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229951116 572173506 /nfs/dbraw/zinc/17/35/06/572173506.db2.gz BRAMNYTZUZGZFO-OJDZSJEKSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229950154 572173550 /nfs/dbraw/zinc/17/35/50/572173550.db2.gz DERMLRCNYMCPRN-OJDZSJEKSA-N 0 0 594.038 6.813 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000229952261 572173576 /nfs/dbraw/zinc/17/35/76/572173576.db2.gz CAFHKVPKLXHPRQ-NHKHRBQYSA-N 0 0 567.538 7.161 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000229952908 572173623 /nfs/dbraw/zinc/17/36/23/572173623.db2.gz WNASLEVFHMEBMF-WTGSTYHVSA-N 0 0 569.613 5.937 50 10 KKCARN CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000229976766 572176117 /nfs/dbraw/zinc/17/61/17/572176117.db2.gz IXHAEEBZNSFMDO-IARZGTGTSA-N 0 0 540.059 6.787 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229979986 572176570 /nfs/dbraw/zinc/17/65/70/572176570.db2.gz TZUZXEGHFRCAHN-HHMOXRITSA-N 0 0 592.651 6.568 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)c1ccc([N+](=O)[O-])cc1 ZINC000230008702 572178293 /nfs/dbraw/zinc/17/82/93/572178293.db2.gz XFINGZQEHQEYCI-DRLORSAXSA-N 0 0 533.378 6.224 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4c(ccc5cccnc54)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000230026472 572179572 /nfs/dbraw/zinc/17/95/72/572179572.db2.gz YIXIEZKOHMTYHW-AARCXHMLSA-N 0 0 592.651 6.568 50 10 KKCARN Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000230199192 572184888 /nfs/dbraw/zinc/18/48/88/572184888.db2.gz JPBKODLTWNNMOK-JBOQNHBVSA-N 0 0 548.013 7.104 50 10 KKCARN Cc1cc(N=Nc2ccc(N=Nc3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000245239694 572213060 /nfs/dbraw/zinc/21/30/60/572213060.db2.gz LRNNLNQILLFYEU-UHFFFAOYSA-N 0 0 508.589 11.657 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000245246161 572218710 /nfs/dbraw/zinc/21/87/10/572218710.db2.gz JOQOPTGQLOFDFJ-HZFRXHCASA-N 0 0 557.577 6.067 50 10 KKCARN COc1ccc(N2CCN(C(=O)C3CCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1 ZINC000248150656 572255637 /nfs/dbraw/zinc/25/56/37/572255637.db2.gz VOWGWOQQAQKREU-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/27/85/76/572278576.db2.gz SAXHTMKKOASKMS-SSEXGKCCSA-N 0 0 600.810 5.382 50 10 KKCARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252676941 572280524 /nfs/dbraw/zinc/28/05/24/572280524.db2.gz XYGMQXIOMCZKSB-AREMUKBSSA-N 0 0 610.961 5.622 50 10 KKCARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252677446 572280736 /nfs/dbraw/zinc/28/07/36/572280736.db2.gz YTSHDTOHWCWDNK-SANMLTNESA-N 0 0 581.616 5.143 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1ccccc1 ZINC000253487863 572290888 /nfs/dbraw/zinc/29/08/88/572290888.db2.gz SBZOPAIQZLMSAG-NGDRWEMDSA-N 0 0 540.575 6.220 50 10 KKCARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)cc6-c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253503029 572295757 /nfs/dbraw/zinc/29/57/57/572295757.db2.gz BVLGDALJKFDSIM-VPPYFNEBSA-N 0 0 664.927 10.792 50 10 KKCARN Ic1ccc2c3ccc(I)cc3c3nc4ccccc4nc3c2c1 ZINC000100427675 1069842487 /nfs/dbraw/zinc/84/24/87/1069842487.db2.gz LVAIMPPIVMZGNR-UHFFFAOYSA-N 0 0 532.122 6.299 50 10 KKCARN CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097983171 1070947431 /nfs/dbraw/zinc/94/74/31/1070947431.db2.gz MKHWOWVUDBPQRC-IWIPYMOSSA-N 0 0 605.523 6.330 50 10 KKCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)N4CCC(O)(c5cccc(C(F)(F)F)c5)CC4)c3[C@H]12 ZINC000888090666 1071065921 /nfs/dbraw/zinc/06/59/21/1071065921.db2.gz NGMADNDNAQZGQZ-WJOKGBTCSA-N 0 0 602.657 5.707 50 10 KKCARN CCCCN1c2ccccc2N(CCCC)C1=C/C=C/C=C/C=C1C(=O)N(CCCC)C(=S)N(CCCC)C1=O ZINC000685944579 1071080814 /nfs/dbraw/zinc/08/08/14/1071080814.db2.gz OIBWSHJIHXULCK-WXUKJITCSA-N 0 0 562.824 7.349 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000029492520 1071179560 /nfs/dbraw/zinc/17/95/60/1071179560.db2.gz QVTDIRLIHNBIHW-BLYFRCJBSA-N 0 0 668.263 7.710 50 10 KKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000059706530 1071230777 /nfs/dbraw/zinc/23/07/77/1071230777.db2.gz CBVRGHGANBQGEE-HAVVHWLPSA-N 0 0 533.122 7.374 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2NCCCn2ccnc2)SC1=S ZINC000102834593 1071304165 /nfs/dbraw/zinc/30/41/65/1071304165.db2.gz SILHPWRKYMLHFE-OFXNXBLFSA-N 0 0 538.743 5.119 50 10 KKCARN O=C(c1ccccc1)c1ccccc1NC=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 ZINC000003371620 1071320134 /nfs/dbraw/zinc/32/01/34/1071320134.db2.gz YCYJZVZGKVRVFW-XIEYBQDHSA-N 0 0 512.487 6.576 50 10 KKCARN Cc1cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)C=Cc2ccccc2)C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103059856 1071329541 /nfs/dbraw/zinc/32/95/41/1071329541.db2.gz CZGUSEPYUBFWCG-SLIGWNDSSA-N 0 0 562.610 5.454 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(NS(=O)(=O)C=Cc4ccccc4)cc3)c2C)cc1 ZINC000103056815 1071329624 /nfs/dbraw/zinc/32/96/24/1071329624.db2.gz YBNICKULBKDJLO-ZCXUNETKSA-N 0 0 544.629 5.555 50 10 KKCARN Cc1cc(C(=O)COC(=O)CNS(=O)(=O)C=Cc2ccc(C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103119522 1071336638 /nfs/dbraw/zinc/33/66/38/1071336638.db2.gz DBEXVPBQJTXTDL-KHPPLWFESA-N 0 0 535.449 5.026 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=S)NC(=O)c2ccco2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000012311232 1072821888 /nfs/dbraw/zinc/82/18/88/1072821888.db2.gz FJESGKLJVYHOOS-LRXRSFGMSA-N 0 0 527.694 5.723 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(C)c1 ZINC000096401958 1072834506 /nfs/dbraw/zinc/83/45/06/1072834506.db2.gz IKZZNHHDHCJQQM-IKYHASTISA-N 0 0 502.640 5.326 50 10 KKCARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc(O)c(O)cc23)/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000097979860 1072838070 /nfs/dbraw/zinc/83/80/70/1072838070.db2.gz UWVGAGGHBUNQKK-IOKRJLGCSA-N 0 0 605.643 6.987 50 10 KKCARN Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(Br)cc3)C23C(=O)c2ccccc2C3=O)c1 ZINC000000680210 551523819 /nfs/dbraw/zinc/52/38/19/551523819.db2.gz CKIBJDIKDWCVEN-HVNZXBJASA-N 0 0 577.430 6.496 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(Cl)cc1 ZINC000000689326 551526983 /nfs/dbraw/zinc/52/69/83/551526983.db2.gz MMIAWWTZMNBDJC-QCDSWUKFSA-N 0 0 536.942 6.218 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Cl)cc1 ZINC000000864594 551552321 /nfs/dbraw/zinc/55/23/21/551552321.db2.gz UHJKHUCGEMYTPM-RNAHPLFWSA-N 0 0 518.952 6.079 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(Br)cc1 ZINC000001001295 551595736 /nfs/dbraw/zinc/59/57/36/551595736.db2.gz GKIXGOUMZKRZJB-FYBSXPHGSA-N 0 0 581.393 6.327 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001009436 551596502 /nfs/dbraw/zinc/59/65/02/551596502.db2.gz LICBSFIRLFZRKJ-PCCBWWKXSA-N 0 0 560.311 5.707 50 10 KKCARN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000001010984 551596813 /nfs/dbraw/zinc/59/68/13/551596813.db2.gz FUTRQNROCZSOQF-YDZHTSKRSA-N 0 0 524.440 6.052 50 10 KKCARN Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(F)c3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000001013787 551596974 /nfs/dbraw/zinc/59/69/74/551596974.db2.gz COMYVAZBWAPFIE-HVNZXBJASA-N 0 0 516.524 5.873 50 10 KKCARN Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000001103785 551609208 /nfs/dbraw/zinc/60/92/08/551609208.db2.gz WSRZCSISCDPSGR-RSZPVBOMSA-N 0 0 502.621 5.170 50 10 KKCARN Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000001103787 551609489 /nfs/dbraw/zinc/60/94/89/551609489.db2.gz WSRZCSISCDPSGR-VYVDHXHBSA-N 0 0 502.621 5.170 50 10 KKCARN Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4Cl)SC3=S)s2)c1 ZINC000001193265 551622124 /nfs/dbraw/zinc/62/21/24/551622124.db2.gz GAWWRPGOZJLUKJ-MOSHPQCFSA-N 0 0 514.097 5.926 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc(F)cc1 ZINC000001200257 551623354 /nfs/dbraw/zinc/62/33/54/551623354.db2.gz GIXZZMYUHKRZEO-RNAHPLFWSA-N 0 0 581.393 6.327 50 10 KKCARN CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1 ZINC000001200064 551623356 /nfs/dbraw/zinc/62/33/56/551623356.db2.gz GVQLOWNGYDYVQC-UHFFFAOYSA-N 0 0 526.636 5.239 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1nc(-c2ccccc2)cs1 ZINC000001217603 551626907 /nfs/dbraw/zinc/62/69/07/551626907.db2.gz VHZGBOOFJHCPNK-YVLHZVERSA-N 0 0 516.467 5.413 50 10 KKCARN CCOc1ccc([C@@H]2C3(O[C@H](c4ccc(Cl)cc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1 ZINC000001218481 551627051 /nfs/dbraw/zinc/62/70/51/551627051.db2.gz NAXLMQXYXIDFAB-QVWWMRLHSA-N 0 0 563.005 6.477 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC ZINC000001273164 551635213 /nfs/dbraw/zinc/63/52/13/551635213.db2.gz AUAFJXSRKWXSFS-OCBJUFRSSA-N 0 0 571.629 6.029 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N23)c1 ZINC000001278894 551636356 /nfs/dbraw/zinc/63/63/56/551636356.db2.gz DIUHSTLTCCUYJE-XFCANUNOSA-N 0 0 585.656 6.337 50 10 KKCARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4cc(-c5sccc5-n5c(C)ccc5C)nn43)C(=O)N1CC2 ZINC000001390405 551660948 /nfs/dbraw/zinc/66/09/48/551660948.db2.gz MEZPIUWICCKGKB-HSZRJFAPSA-N 0 0 525.634 5.178 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1ccc(Br)cc1 ZINC000001746222 551691817 /nfs/dbraw/zinc/69/18/17/551691817.db2.gz GCZRPXFHFZSSCC-WQRHYEAKSA-N 0 0 564.280 6.018 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c(C)n1-c1ccccc1F ZINC000001746333 551691843 /nfs/dbraw/zinc/69/18/43/551691843.db2.gz KVNLFAFNOISIIL-UHFFFAOYSA-N 0 0 529.662 6.458 50 10 KKCARN N=C1/C(=C\c2ccc(OCCOCCOc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000001747610 551692148 /nfs/dbraw/zinc/69/21/48/551692148.db2.gz HFIFFWSUSXALEO-PMDNAOKTSA-N 0 0 511.603 5.465 50 10 KKCARN CCOc1ccc2c(c1)/C(=C1/SC(C(=O)OC)=C(c3ccccc3)S1)C(=S)C(C)(C)N2C(=O)c1ccccc1 ZINC000001746406 551692197 /nfs/dbraw/zinc/69/21/97/551692197.db2.gz QXQPIOIQPKCGNH-KRUMMXJUSA-N 0 0 573.761 7.585 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000001751459 551693326 /nfs/dbraw/zinc/69/33/26/551693326.db2.gz WFVLJFBZJUIYAA-NHKHRBQYSA-N 0 0 568.431 7.449 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000001758131 551693841 /nfs/dbraw/zinc/69/38/41/551693841.db2.gz VUTKKSIWHNHNCC-YKILCQELSA-N 0 0 589.619 6.168 50 10 KKCARN COC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OC)ccc3N(C(=O)c3ccccc3)C(C)(C)C2=S)S1 ZINC000001761545 551694348 /nfs/dbraw/zinc/69/43/48/551694348.db2.gz NZUWNFGRYGUSFX-FAJYDZGRSA-N 0 0 559.734 7.195 50 10 KKCARN O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(Cl)c1Cl ZINC000001766884 551695182 /nfs/dbraw/zinc/69/51/82/551695182.db2.gz JSESACIPZVPJIA-ZSOIEALJSA-N 0 0 502.242 5.596 50 10 KKCARN Cc1cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001772347 551696744 /nfs/dbraw/zinc/69/67/44/551696744.db2.gz RBRRCAOZICRZAR-UHFFFAOYSA-N 0 0 501.599 6.890 50 10 KKCARN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)c(OC)c3)SC2=S)c1 ZINC000001789672 551701330 /nfs/dbraw/zinc/70/13/30/551701330.db2.gz BDACCGZACXUBMX-MSXFZWOLSA-N 0 0 546.041 6.490 50 10 KKCARN CCOC(=O)c1c(CSc2ccccc2)n(-c2ccccc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000001795473 551702629 /nfs/dbraw/zinc/70/26/29/551702629.db2.gz VHAJPYGUYRGEQE-UHFFFAOYSA-N 0 0 539.495 6.629 50 10 biogenic KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000001800615 551703496 /nfs/dbraw/zinc/70/34/96/551703496.db2.gz IBVHIJBVBUGTEG-QJOMJCCJSA-N 0 0 518.708 5.072 50 10 KKCARN CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001801936 551703757 /nfs/dbraw/zinc/70/37/57/551703757.db2.gz ULUNMGRIBVXIDM-PGMHBOJBSA-N 0 0 531.541 6.258 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CC[C@H](C)C5)c2C)cc1 ZINC000001804883 551704354 /nfs/dbraw/zinc/70/43/54/551704354.db2.gz DPJUXRGZCHUVPC-IBGZPJMESA-N 0 0 569.752 6.963 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1cccc(F)c1 ZINC000001804871 551704363 /nfs/dbraw/zinc/70/43/63/551704363.db2.gz KZLHBCDFSFVHKZ-UHFFFAOYSA-N 0 0 593.749 8.253 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2CCC[C@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001816795 551707862 /nfs/dbraw/zinc/70/78/62/551707862.db2.gz QWSMCSSCNFKCRH-INIZCTEOSA-N 0 0 506.624 5.746 50 10 KKCARN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[NH+]2CCCCCC2)c(=O)c1-c1nc2ccccc2s1 ZINC000001819999 551708695 /nfs/dbraw/zinc/70/86/95/551708695.db2.gz LVKZLUJTNDJBMH-UHFFFAOYSA-N 0 0 506.624 5.890 50 10 KKCARN Cc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001821082 551708821 /nfs/dbraw/zinc/70/88/21/551708821.db2.gz AAAJKADIHVIGTC-UYRXBGFRSA-N 0 0 539.681 6.088 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2/c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000001835404 551712285 /nfs/dbraw/zinc/71/22/85/551712285.db2.gz ZJGPINOMWRCVGB-FTOHGRHOSA-N 0 0 534.062 5.658 50 10 KKCARN Cc1cccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)c1 ZINC000001835955 551712382 /nfs/dbraw/zinc/71/23/82/551712382.db2.gz INXNYPMQQXUJKN-XDQFEMHDSA-N 0 0 513.644 5.313 50 10 KKCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)cc1Cl ZINC000001858039 551716485 /nfs/dbraw/zinc/71/64/85/551716485.db2.gz DYGQSAPXDLGURC-HAHDFKILSA-N 0 0 508.987 5.609 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000001868912 551718786 /nfs/dbraw/zinc/71/87/86/551718786.db2.gz CLRPUQKOQVIKPZ-OLUZHXLYSA-N 0 0 594.494 7.627 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(C(C)C)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)c1 ZINC000001872153 551719875 /nfs/dbraw/zinc/71/98/75/551719875.db2.gz AZOGBFNMGYCDSM-XFCANUNOSA-N 0 0 588.103 7.788 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3c4ccccc4C=NN23)cc1 ZINC000001874513 551721228 /nfs/dbraw/zinc/72/12/28/551721228.db2.gz ZGECGQVULOQQRI-WTGSTYHVSA-N 0 0 572.617 5.518 50 10 KKCARN O=C(c1cccs1)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21 ZINC000001877039 551722935 /nfs/dbraw/zinc/72/29/35/551722935.db2.gz MVBUKRLFWCHORB-KWXIBIRDSA-N 0 0 555.577 7.083 50 10 KKCARN CCOc1ccccc1N=C1Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@H]2c1ccc(N(C)C)cc1 ZINC000001877749 551723343 /nfs/dbraw/zinc/72/33/43/551723343.db2.gz LWAWUDJXMURLAJ-JGCGQSQUSA-N 0 0 567.697 7.441 50 10 KKCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)c(Cl)c3)S2)CC1 ZINC000001879307 551723916 /nfs/dbraw/zinc/72/39/16/551723916.db2.gz WTIREULGAXSOTE-UQQQWYQISA-N 0 0 565.095 5.837 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001884305 551725021 /nfs/dbraw/zinc/72/50/21/551725021.db2.gz FZRXPRDBMCHFGR-MFOYZWKCSA-N 0 0 515.740 5.729 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)C(F)(F)F)C(C)(C)C2=S)S1 ZINC000001885566 551725404 /nfs/dbraw/zinc/72/54/04/551725404.db2.gz JZHXZBADGBNDBQ-CLCOLTQESA-N 0 0 563.688 7.441 50 10 KKCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3cccc(C)c3)C1=N2 ZINC000001885348 551725489 /nfs/dbraw/zinc/72/54/89/551725489.db2.gz GLBNUMPNLDSDRX-LJAQVGFWSA-N 0 0 589.497 7.753 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001887738 551725920 /nfs/dbraw/zinc/72/59/20/551725920.db2.gz IQUBMTNDOFCZDJ-OLUZHXLYSA-N 0 0 574.032 6.582 50 10 KKCARN COc1cc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000001890450 551726528 /nfs/dbraw/zinc/72/65/28/551726528.db2.gz YGBJCZKRUJLZRA-HZFUHODCSA-N 0 0 586.084 6.414 50 10 KKCARN O=C(Nc1ccc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001891610 551726743 /nfs/dbraw/zinc/72/67/43/551726743.db2.gz JZMZGNXOTKVWGH-UHFFFAOYSA-N 0 0 580.596 6.322 50 10 KKCARN Cc1cc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001895922 551727759 /nfs/dbraw/zinc/72/77/59/551727759.db2.gz CWXRADHTOFTIPZ-UHFFFAOYSA-N 0 0 523.605 7.760 50 10 KKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001897580 551728915 /nfs/dbraw/zinc/72/89/15/551728915.db2.gz SOPVIZYVQRPSPP-QFEZKATASA-N 0 0 511.628 5.978 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000001898542 551729569 /nfs/dbraw/zinc/72/95/69/551729569.db2.gz SYAXXUGRNNCYSR-VJGNERBWSA-N 0 0 566.476 6.827 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(Cl)cc3Cl)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000001898943 551729870 /nfs/dbraw/zinc/72/98/70/551729870.db2.gz CJSXBFHBKAQADD-OIFRRMEBSA-N 0 0 582.458 7.757 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000001899476 551729930 /nfs/dbraw/zinc/72/99/30/551729930.db2.gz ASPFOEOSUWYSRJ-OIFRRMEBSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000001900729 551730596 /nfs/dbraw/zinc/73/05/96/551730596.db2.gz RKHHZMPPQMXDKE-OIFRRMEBSA-N 0 0 590.473 6.774 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000002058706 551740869 /nfs/dbraw/zinc/74/08/69/551740869.db2.gz CDXQRXFGPYMWGR-UUYOSTAYSA-N 0 0 502.444 6.987 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc2ccccc21 ZINC000002059081 551741052 /nfs/dbraw/zinc/74/10/52/551741052.db2.gz KIPJWNYRWHHADN-QJOMJCCJSA-N 0 0 508.404 8.878 50 10 KKCARN C[C@H](C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002079133 551750872 /nfs/dbraw/zinc/75/08/72/551750872.db2.gz AEILBXHSFQWBLI-CYBMUJFWSA-N 0 0 574.247 7.869 50 10 KKCARN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000002080361 551751297 /nfs/dbraw/zinc/75/12/97/551751297.db2.gz BOEXQYRNYGCSQN-SSDVNMTOSA-N 0 0 508.512 5.156 50 10 KKCARN O=C(NN1C(=O)c2cc(Br)ccc2N[C@H]1c1c(O)ccc2ccccc21)c1ccc(Cl)cc1 ZINC000002085487 551755335 /nfs/dbraw/zinc/75/53/35/551755335.db2.gz CJXQSSHBHKGZRT-HSZRJFAPSA-N 0 0 522.786 5.873 50 10 KKCARN CCSc1nnc2c(n1)O[C@H](c1cc(O)c(O)c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000002087000 551756557 /nfs/dbraw/zinc/75/65/57/551756557.db2.gz NKUQWAAUDQSSER-MRXNPFEDSA-N 0 0 526.210 5.090 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002089295 551758306 /nfs/dbraw/zinc/75/83/06/551758306.db2.gz WEWVCTBHZLXVPN-BFOKUZPWSA-N 0 0 599.778 5.209 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)ccc3N(C(=O)c3cccc(OC)c3)C(C)(C)C2=S)S1 ZINC000002095738 551761472 /nfs/dbraw/zinc/76/14/72/551761472.db2.gz DTEQCRBOHYRTSZ-GDWJVWIDSA-N 0 0 587.788 7.893 50 10 KKCARN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002119797 551770066 /nfs/dbraw/zinc/77/00/66/551770066.db2.gz SFQBPEYYJCUKKY-MTJSOVHGSA-N 0 0 505.970 7.344 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000002137470 551773874 /nfs/dbraw/zinc/77/38/74/551773874.db2.gz DPNATJNYDNJTBA-YPKYBTACSA-N 0 0 541.603 6.020 50 10 KKCARN O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Br)cc1 ZINC000002188699 551788775 /nfs/dbraw/zinc/78/87/75/551788775.db2.gz KLYBIUZHJWOXQZ-UFPGJGBJSA-N 0 0 522.826 6.969 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)SC2=S)cc1 ZINC000002194598 551791692 /nfs/dbraw/zinc/79/16/92/551791692.db2.gz DDJZEXNXNRKMOZ-XYGWBWBKSA-N 0 0 513.644 5.958 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000002204033 551793021 /nfs/dbraw/zinc/79/30/21/551793021.db2.gz VKNBDNPXBDEOIV-TYYMKKSVSA-N 0 0 501.658 5.808 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S ZINC000002204126 551793097 /nfs/dbraw/zinc/79/30/97/551793097.db2.gz AQIHFIWXLUTSQW-JLPGSUDCSA-N 0 0 507.681 5.873 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000002209081 551793860 /nfs/dbraw/zinc/79/38/60/551793860.db2.gz LBNIJUQIRXNRNY-OCBJUFRSSA-N 0 0 513.568 6.450 50 10 KKCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)SC1=S ZINC000002222150 551796364 /nfs/dbraw/zinc/79/63/64/551796364.db2.gz VTQVENPLIGJHAC-IWIPYMOSSA-N 0 0 501.608 6.088 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN32)cc1 ZINC000002235703 551798362 /nfs/dbraw/zinc/79/83/62/551798362.db2.gz MJHHYGSAXPTSMW-OYKXOOMRSA-N 0 0 512.565 5.500 50 10 KKCARN CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N(C)C1=O ZINC000002248569 551800736 /nfs/dbraw/zinc/80/07/36/551800736.db2.gz RVERTYSXXXHJEW-UHFFFAOYSA-N 0 0 540.417 6.008 50 10 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CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 ZINC000013513723 553468088 /nfs/dbraw/zinc/46/80/88/553468088.db2.gz SMYUIWBACVLYQO-NNJUAHJLSA-N 0 0 525.634 5.504 50 10 KKCARN Cc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000013525367 553468969 /nfs/dbraw/zinc/46/89/69/553468969.db2.gz KQSXLTFSTPJBGF-UHFFFAOYSA-N 0 0 510.590 5.722 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000013646941 553480016 /nfs/dbraw/zinc/48/00/16/553480016.db2.gz ZSCHDGGNGVOXAO-IOOSODASSA-N 0 0 505.665 5.627 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000013647652 553480222 /nfs/dbraw/zinc/48/02/22/553480222.db2.gz HMNSANQMTRQMCX-HEANMHFVSA-N 0 0 504.681 5.139 50 10 KKCARN CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000013748818 553487600 /nfs/dbraw/zinc/48/76/00/553487600.db2.gz QTNPPHUGLJPNKU-HKWRFOASSA-N 0 0 513.088 5.376 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N(CCC)CCC)SC1=S ZINC000013759272 553488766 /nfs/dbraw/zinc/48/87/66/553488766.db2.gz WZPJLCYTPMQAGG-SUNMQZQPSA-N 0 0 514.761 6.047 50 10 KKCARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 ZINC000013759558 553488767 /nfs/dbraw/zinc/48/87/67/553488767.db2.gz PEIFODPDXSDEMF-LLIKLIDUSA-N 0 0 525.634 5.639 50 10 KKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1 ZINC000013765237 553488906 /nfs/dbraw/zinc/48/89/06/553488906.db2.gz KKGQUPWMJOPNLH-UNOMPAQXSA-N 0 0 513.006 6.541 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013773653 553489558 /nfs/dbraw/zinc/48/95/58/553489558.db2.gz QGMPAAVNKMLGSO-HZHRSRAPSA-N 0 0 507.633 6.206 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 ZINC000013774213 553489566 /nfs/dbraw/zinc/48/95/66/553489566.db2.gz BBRMLROMAJWAQT-OSEFQUDUSA-N 0 0 504.681 5.202 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C)c3)C2=O)SC1=S ZINC000013799181 553491010 /nfs/dbraw/zinc/49/10/10/553491010.db2.gz WICSQQWBWCIPBO-LYEHZDMLSA-N 0 0 521.708 5.768 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000013800214 553491170 /nfs/dbraw/zinc/49/11/70/553491170.db2.gz LKAAVWZHFNRTPE-XYGWBWBKSA-N 0 0 505.709 6.821 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000013801847 553491397 /nfs/dbraw/zinc/49/13/97/553491397.db2.gz IVYVIMBPIGZGOD-ULJHMMPZSA-N 0 0 507.681 5.812 50 10 KKCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000013801859 553491495 /nfs/dbraw/zinc/49/14/95/553491495.db2.gz GGTBGHNLMIFAFD-SMIDNAKXSA-N 0 0 511.603 5.766 50 10 KKCARN COc1ccc(OCCn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)cc1 ZINC000013802145 553491515 /nfs/dbraw/zinc/49/15/15/553491515.db2.gz LXDNVXHDHIWIAN-ZLVHZUDPSA-N 0 0 520.614 6.033 50 10 KKCARN 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COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000013895219 553494551 /nfs/dbraw/zinc/49/45/51/553494551.db2.gz IXMPNBOGPRQTAW-NDENLUEZSA-N 0 0 500.439 6.021 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(OC)c3)C2=N)S1 ZINC000013895749 553494726 /nfs/dbraw/zinc/49/47/26/553494726.db2.gz RMOZHHPVILDKQL-NMBITUCBSA-N 0 0 506.628 5.579 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1[C@@H](C)CC ZINC000013897893 553495095 /nfs/dbraw/zinc/49/50/95/553495095.db2.gz MIWSYHXYVBSOEZ-ARLNZREDSA-N 0 0 506.628 5.696 50 10 KKCARN CC[C@@H](C)c1ccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 ZINC000013899035 553495167 /nfs/dbraw/zinc/49/51/67/553495167.db2.gz ZAYQNASBPVGXML-LZAVRKJISA-N 0 0 507.612 5.452 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C ZINC000013940258 553496180 /nfs/dbraw/zinc/49/61/80/553496180.db2.gz QQVOTNWUYXLDCF-HHGACTJFSA-N 0 0 520.655 5.825 50 10 KKCARN CCN1C(=O)/C(=C\c2cc(Cl)c(OCCOCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000013942283 553496685 /nfs/dbraw/zinc/49/66/85/553496685.db2.gz OSSAGVDJNKPPKQ-PXLXIMEGSA-N 0 0 522.088 5.661 50 10 KKCARN Cc1cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000014358223 553512802 /nfs/dbraw/zinc/51/28/02/553512802.db2.gz QRNGEPPGZDYHFZ-UHFFFAOYSA-N 0 0 507.339 7.538 50 10 KKCARN O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000015012006 553525432 /nfs/dbraw/zinc/52/54/32/553525432.db2.gz GWIKONNJVLFFQA-XDHOZWIPSA-N 0 0 503.386 5.953 50 10 KKCARN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1C ZINC000015227595 553529283 /nfs/dbraw/zinc/52/92/83/553529283.db2.gz GEYQOFCGVNSISI-ICALIKLASA-N 0 0 501.637 5.613 50 10 KKCARN C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2O1 ZINC000015227828 553529545 /nfs/dbraw/zinc/52/95/45/553529545.db2.gz HDUVHOZIYLXBNJ-NLULDLIBSA-N 0 0 509.656 6.264 50 10 KKCARN CCN(Cc1ccccc1)c1ccc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000015910570 553540670 /nfs/dbraw/zinc/54/06/70/553540670.db2.gz CRZGBSMZADMKRB-SVBPBHIXSA-N 0 0 531.700 6.851 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)Nc1ccccc1OC ZINC000015930882 553542398 /nfs/dbraw/zinc/54/23/98/553542398.db2.gz UWLGBKLEUJFHRN-HKWRFOASSA-N 0 0 519.985 5.571 50 10 KKCARN CCOc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(N(CC)CC)cc2)cc(OCC)c1OCC ZINC000015953599 553545820 /nfs/dbraw/zinc/54/58/20/553545820.db2.gz SNCZWXBANJWZBM-NUAIVLOPSA-N 0 0 538.729 6.237 50 10 biogenic KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016001559 553550092 /nfs/dbraw/zinc/55/00/92/553550092.db2.gz JOIHQDPYNAAEPU-GSDHBNRESA-N 0 0 513.996 6.528 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccnc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000016007518 553550249 /nfs/dbraw/zinc/55/02/49/553550249.db2.gz RMFNDXKXJHGKTF-NHKHRBQYSA-N 0 0 514.556 5.845 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000016310737 553559741 /nfs/dbraw/zinc/55/97/41/553559741.db2.gz YFXWALWMUHUHKF-HZHRSRAPSA-N 0 0 511.646 5.173 50 10 KKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016694237 553573873 /nfs/dbraw/zinc/57/38/73/553573873.db2.gz URXGSABCTBZLLV-HMAPJEAMSA-N 0 0 501.395 5.513 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S ZINC000016729722 553575890 /nfs/dbraw/zinc/57/58/90/553575890.db2.gz SLPPROBFACJXJH-JWGURIENSA-N 0 0 504.706 6.931 50 10 KKCARN CCCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000016731345 553577100 /nfs/dbraw/zinc/57/71/00/553577100.db2.gz MFTZPHJABQXDLT-VXPUYCOJSA-N 0 0 501.471 5.410 50 10 KKCARN Cc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N(C4CCCCC4)C3=O)C2=O)cc1C ZINC000016731968 553577270 /nfs/dbraw/zinc/57/72/70/553577270.db2.gz BBEQWURSGXACGX-VHXPQNKSSA-N 0 0 505.665 5.193 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000016732082 553577542 /nfs/dbraw/zinc/57/75/42/553577542.db2.gz NUEXVCFCUJRMEN-MRCUWXFGSA-N 0 0 515.498 6.148 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1F ZINC000016732745 553577682 /nfs/dbraw/zinc/57/76/82/553577682.db2.gz NARYSKIQMBBACW-ULJHMMPZSA-N 0 0 506.603 5.160 50 10 KKCARN CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000016733118 553577909 /nfs/dbraw/zinc/57/79/09/553577909.db2.gz UJPHOFMJXBZVFB-KQWNVCNZSA-N 0 0 512.100 6.983 50 10 KKCARN CCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(Br)ccc21 ZINC000016805382 553582790 /nfs/dbraw/zinc/58/27/90/553582790.db2.gz REIUMGPXLJQGJU-ZCXUNETKSA-N 0 0 507.862 5.631 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000016805376 553582868 /nfs/dbraw/zinc/58/28/68/553582868.db2.gz QVCFOVCSIKGCQD-HBAFHOPNSA-N 0 0 507.700 7.404 50 10 KKCARN CCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 ZINC000016805545 553583087 /nfs/dbraw/zinc/58/30/87/553583087.db2.gz QBKTXJMMCPUQEA-VXPUYCOJSA-N 0 0 519.461 5.897 50 10 KKCARN CNC(=S)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000016916926 553583905 /nfs/dbraw/zinc/58/39/05/553583905.db2.gz XXNYZGFIBWKBJR-DEOSSOPVSA-N 0 0 516.070 5.570 50 10 KKCARN CCOC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3cccc([N+](=O)[O-])c3)c2c1N ZINC000020131120 553591671 /nfs/dbraw/zinc/59/16/71/553591671.db2.gz XNCJCKHFTWIOFB-UHFFFAOYSA-N 0 0 504.568 5.808 50 10 KKCARN CCCCCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)N=C2c2ccccc2F)cc1 ZINC000017270030 553591807 /nfs/dbraw/zinc/59/18/07/553591807.db2.gz ZRAWZVZPHHIBGF-BWAHOGKJSA-N 0 0 507.403 6.992 50 10 KKCARN COc1cccc(C(=O)[C@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687052 553606131 /nfs/dbraw/zinc/60/61/31/553606131.db2.gz VVSGPPFNYKCHIX-YKILCQELSA-N 0 0 571.629 6.029 50 10 biogenic KKCARN CC(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 ZINC000018181529 553607724 /nfs/dbraw/zinc/60/77/24/553607724.db2.gz RVURBOGPHSVYAN-KMDXXIMOSA-N 0 0 517.940 5.298 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000018190343 553607989 /nfs/dbraw/zinc/60/79/89/553607989.db2.gz QVJIGPSKOHLCTC-BKUYFWCQSA-N 0 0 515.534 6.339 50 10 KKCARN N=C1/C(=C\c2ccc(Sc3cccc4ccccc43)o2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000020238752 553624244 /nfs/dbraw/zinc/62/42/44/553624244.db2.gz MUOADNAMENOVQN-BSMJIXEWSA-N 0 0 510.600 6.282 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020239096 553624598 /nfs/dbraw/zinc/62/45/98/553624598.db2.gz GMBYXEMNPDLGSF-YBSSFRMFSA-N 0 0 504.499 5.697 50 10 KKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)o1 ZINC000020238975 553624616 /nfs/dbraw/zinc/62/46/16/553624616.db2.gz RQTVQCSSTXHWFK-IZZZYSEOSA-N 0 0 515.595 5.999 50 10 KKCARN Cc1cc(C)c(Nc2cc(NCc3ccc4c(c3)OCO4)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1 ZINC000020322465 553637899 /nfs/dbraw/zinc/63/78/99/553637899.db2.gz MRIMNWVHXOQNFP-UHFFFAOYSA-N 0 0 503.558 7.049 50 10 KKCARN COc1ccc(/C=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)cc1OC ZINC000083315316 553676735 /nfs/dbraw/zinc/67/67/35/553676735.db2.gz GKCFOTFECRUYBB-KGENOOAVSA-N 0 0 501.995 6.315 50 10 KKCARN CCOC(=O)c1c(COc2cccc3ccccc32)n(C)c2cc(-c3cccnc3)c([O-])c(C[NH+](C)C)c21 ZINC000085393682 553679660 /nfs/dbraw/zinc/67/96/60/553679660.db2.gz SUUVKJHUBIEULJ-UHFFFAOYSA-N 0 0 509.606 5.916 50 10 KKCARN COc1ccc(N2CCN(C(=O)CN3C(=O)/C(=C/c4cccc(Cl)c4)Sc4ccccc43)CC2)cc1 ZINC000020727025 553690658 /nfs/dbraw/zinc/69/06/58/553690658.db2.gz DYCXUKZYUFEDQY-ITYLOYPMSA-N 0 0 520.054 5.177 50 10 KKCARN Cc1cccc(C2=NN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000089669260 553694088 /nfs/dbraw/zinc/69/40/88/553694088.db2.gz OISDQASRUBSYFE-SSEXGKCCSA-N 0 0 518.064 7.680 50 10 KKCARN CC[C@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000020113033 553695077 /nfs/dbraw/zinc/69/50/77/553695077.db2.gz DYXAVASMACJLPD-GOTSBHOMSA-N 0 0 504.671 6.400 50 10 biogenic KKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113031 553695136 /nfs/dbraw/zinc/69/51/36/553695136.db2.gz DYXAVASMACJLPD-PKTZIBPZSA-N 0 0 504.671 6.400 50 10 biogenic KKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764123 553696441 /nfs/dbraw/zinc/69/64/41/553696441.db2.gz HENFBZAYGIMAOE-GBXCKJPGSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1ccc(C2=N[C@H](c3ccc(C(F)(F)F)cc3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764484 553696639 /nfs/dbraw/zinc/69/66/39/553696639.db2.gz SFOBKOZAYLCOKW-UPVQGACJSA-N 0 0 519.361 6.795 50 10 KKCARN COc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764600 553696682 /nfs/dbraw/zinc/69/66/82/553696682.db2.gz OWTWLCAOBBFYKB-URXFXBBRSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000020764434 553696689 /nfs/dbraw/zinc/69/66/89/553696689.db2.gz XYMOEABBDSOVRG-DHLKQENFSA-N 0 0 509.400 5.563 50 10 KKCARN COc1ccc(C2=N[C@H](c3cc(Br)ccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764577 553696691 /nfs/dbraw/zinc/69/66/91/553696691.db2.gz BTIJGNUIDWJPPH-QPPBQGQZSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1ccc(C2=N[C@@H](c3ccc(C(F)(F)F)cc3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764472 553696694 /nfs/dbraw/zinc/69/66/94/553696694.db2.gz SFOBKOZAYLCOKW-ISKFKSNPSA-N 0 0 519.361 6.795 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(Cl)cc3Cl)N2)c1O ZINC000020764418 553696710 /nfs/dbraw/zinc/69/67/10/553696710.db2.gz PNFMFLCNVDSVTB-XUZZJYLKSA-N 0 0 520.254 7.083 50 10 KKCARN COc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764592 553696723 /nfs/dbraw/zinc/69/67/23/553696723.db2.gz OWTWLCAOBBFYKB-QPPBQGQZSA-N 0 0 501.808 6.048 50 10 KKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cc(Br)ccc3OC)N2)c1O ZINC000020764353 553696741 /nfs/dbraw/zinc/69/67/41/553696741.db2.gz AKFVWVYTCCVVNZ-OFVILXPXSA-N 0 0 515.835 6.438 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000020764937 553696986 /nfs/dbraw/zinc/69/69/86/553696986.db2.gz RXWPPAFQZSDFQF-JTHBVZDNSA-N 0 0 518.224 6.587 50 10 KKCARN CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 ZINC000095471573 553701425 /nfs/dbraw/zinc/70/14/25/553701425.db2.gz DVNREPUMLSNZLI-ONUIUJJFSA-N 0 0 504.612 5.221 50 10 KKCARN [O-]c1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000021486946 553709869 /nfs/dbraw/zinc/70/98/69/553709869.db2.gz RURRBFRAODPVNC-RUZDIDTESA-N 0 0 515.938 6.663 50 10 KKCARN O=C1c2ccccc2C(=O)c2c(Nc3ccc(Nc4cccc5c4C(=O)c4ccccc4C5=O)c4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000095857648 553714196 /nfs/dbraw/zinc/71/41/96/553714196.db2.gz APWOKAUQXMGVOF-UHFFFAOYSA-N 0 0 650.646 7.500 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccccc3)C2=N)S1 ZINC000022063633 553725560 /nfs/dbraw/zinc/72/55/60/553725560.db2.gz VFSOYOFHIKFZGW-OCTOJFLBSA-N 0 0 513.417 5.326 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000096576709 553756119 /nfs/dbraw/zinc/75/61/19/553756119.db2.gz KDEGHKYTYBEGAQ-GDNBJRDFSA-N 0 0 505.701 5.322 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)c(C)cc3N(C(=O)Cc3ccc(F)cc3)C(C)(C)C2=S)S1 ZINC000097944145 553768835 /nfs/dbraw/zinc/76/88/35/553768835.db2.gz RNWXNXKYTZHIEY-UHFFFAOYSA-N 0 0 571.717 5.887 50 10 KKCARN CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000097944492 553769842 /nfs/dbraw/zinc/76/98/42/553769842.db2.gz SSLDDQIKEYTJJE-YBEGLDIGSA-N 0 0 529.275 6.025 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000097946089 553776502 /nfs/dbraw/zinc/77/65/02/553776502.db2.gz BGLXFRXQVMFMCR-BCJTWVECSA-N 0 0 612.799 8.914 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000097946160 553777204 /nfs/dbraw/zinc/77/72/04/553777204.db2.gz MXYHWEHXUWBRHW-BCJTWVECSA-N 0 0 607.113 8.606 50 10 KKCARN CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097946461 553779507 /nfs/dbraw/zinc/77/95/07/553779507.db2.gz ZHBOWKOYKFTOHB-FSGOGVSDSA-N 0 0 561.732 7.881 50 10 KKCARN CCCCCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000097946514 553780043 /nfs/dbraw/zinc/78/00/43/553780043.db2.gz KIFBDTPQHGUVBQ-HKOYGPOVSA-N 0 0 537.707 5.858 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1Cl ZINC000097946524 553780048 /nfs/dbraw/zinc/78/00/48/553780048.db2.gz LKGRTQNVDZIBSD-FDRCZSESSA-N 0 0 546.117 7.554 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000097946535 553780064 /nfs/dbraw/zinc/78/00/64/553780064.db2.gz QOIIXZVWYBVRJZ-XBISJKRFSA-N 0 0 542.686 5.111 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl ZINC000097946563 553780246 /nfs/dbraw/zinc/78/02/46/553780246.db2.gz VATWIBKSOVDCTD-PKAZHMFMSA-N 0 0 576.143 7.392 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097946619 553780573 /nfs/dbraw/zinc/78/05/73/553780573.db2.gz ZDSKNAFHNYAJAK-HXYZFMKESA-N 0 0 631.867 9.689 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1Cl ZINC000097946651 553780786 /nfs/dbraw/zinc/78/07/86/553780786.db2.gz IUGVYADSIISDQI-UHSZJLINSA-N 0 0 560.144 7.944 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000097946649 553780794 /nfs/dbraw/zinc/78/07/94/553780794.db2.gz KMEMFJSVXWMZCO-QQXSKIMKSA-N 0 0 564.107 7.522 50 10 KKCARN CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000097946845 553781858 /nfs/dbraw/zinc/78/18/58/553781858.db2.gz YOOGQONWUZUHLC-SWKFRHMKSA-N 0 0 526.665 7.486 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1Br ZINC000097946945 553782341 /nfs/dbraw/zinc/78/23/41/553782341.db2.gz LRSHBHZZFUQCCO-SAHIIKMKSA-N 0 0 576.541 7.273 50 10 KKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)SC1=S ZINC000097946980 553782635 /nfs/dbraw/zinc/78/26/35/553782635.db2.gz DWOWEWOCXXTAMY-GRVPHDJPSA-N 0 0 536.099 7.736 50 10 KKCARN Cc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=C4\SC(=S)N(Cc5ccco5)C4=O)cc3)sc2c1 ZINC000097946969 553782673 /nfs/dbraw/zinc/78/26/73/553782673.db2.gz ZMAAWQSNPTWPPP-NDENLUEZSA-N 0 0 526.060 7.077 50 10 KKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000097946978 553782678 /nfs/dbraw/zinc/78/26/78/553782678.db2.gz HURMGXVMIFTJSX-WQRHYEAKSA-N 0 0 546.478 7.422 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)SC2=S)cc1OC ZINC000097946953 553782697 /nfs/dbraw/zinc/78/26/97/553782697.db2.gz UXIGGSIFCRJZPV-ONUIUJJFSA-N 0 0 606.567 6.763 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947010 553782825 /nfs/dbraw/zinc/78/28/25/553782825.db2.gz DNALEONPQXBIJH-CBIIRDDDSA-N 0 0 565.931 6.566 50 10 KKCARN CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097946988 553782832 /nfs/dbraw/zinc/78/28/32/553782832.db2.gz BOIBYGULDORQIN-QWSHFYNQSA-N 0 0 519.859 5.282 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O[C@@H](NC(=O)c4cccc5ccccc54)C(Cl)(Cl)Cl)cc3)SC2=S)cc1OC ZINC000097947013 553782877 /nfs/dbraw/zinc/78/28/77/553782877.db2.gz GNDUUEAJRLHAFM-KUSDHMTMSA-N 0 0 702.081 7.806 50 10 KKCARN CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000097947032 553783127 /nfs/dbraw/zinc/78/31/27/553783127.db2.gz QSOLBYXHWBEURG-QFXXMJIKSA-N 0 0 603.977 5.749 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccc(C)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947024 553783136 /nfs/dbraw/zinc/78/31/36/553783136.db2.gz ONMNNAXVADYEAZ-PGNDWZGLSA-N 0 0 529.898 5.721 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC1=S ZINC000097947131 553783883 /nfs/dbraw/zinc/78/38/83/553783883.db2.gz QLJHCCRIZRSYLP-QOMWVZHYSA-N 0 0 580.801 6.105 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000097947128 553783951 /nfs/dbraw/zinc/78/39/51/553783951.db2.gz BEOBRONTIUHHQH-JCMHNJIXSA-N 0 0 542.524 6.702 50 10 KKCARN O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(CSc2ccccn2)=NN1c1ccccc1 ZINC000097947123 553783954 /nfs/dbraw/zinc/78/39/54/553783954.db2.gz AXFRMGVYCOORFT-SXBRIOAWSA-N 0 0 662.797 5.534 50 10 KKCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)n3c(SCc4ccc(C)cc4)nc4ccccc43)C2=O)cc1 ZINC000097947153 553784136 /nfs/dbraw/zinc/78/41/36/553784136.db2.gz DEPPPBGLGIVCLV-UQQQWYQISA-N 0 0 559.738 6.577 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947209 553784455 /nfs/dbraw/zinc/78/44/55/553784455.db2.gz ORWYRGVSVGZWRL-QRQIAZFYSA-N 0 0 624.615 8.053 50 10 KKCARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Cl ZINC000097947227 553784651 /nfs/dbraw/zinc/78/46/51/553784651.db2.gz GGQCDCAETIQCPB-UQQQWYQISA-N 0 0 564.111 5.539 50 10 KKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947222 553784724 /nfs/dbraw/zinc/78/47/24/553784724.db2.gz AQPWIYKROGMDDP-JDCMOKTRSA-N 0 0 589.786 8.663 50 10 KKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)S2)C[C@H](C)O1 ZINC000097947251 553785006 /nfs/dbraw/zinc/78/50/06/553785006.db2.gz FJZQEYWULUYVLH-CPLHWZDISA-N 0 0 550.684 6.198 50 10 KKCARN O=C1/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Br)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000097947390 553785792 /nfs/dbraw/zinc/78/57/92/553785792.db2.gz FHASBCURURCAIU-MTJSOVHGSA-N 0 0 594.468 5.379 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1OC ZINC000097947435 553786361 /nfs/dbraw/zinc/78/63/61/553786361.db2.gz INKCBPHMOVZUCY-LPYMAVHISA-N 0 0 520.459 6.715 50 10 KKCARN CCOCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000097947513 553786825 /nfs/dbraw/zinc/78/68/25/553786825.db2.gz GMYMBSPELIBDTD-PLRJNAJWSA-N 0 0 562.761 5.090 50 10 KKCARN COc1cccc(C(=O)NN2C(=O)/C(=C/c3c(C)nn(-c4cc(C)ccc4C)c3Cl)SC2=S)c1 ZINC000024828786 553792442 /nfs/dbraw/zinc/79/24/42/553792442.db2.gz UFMHWVXSEQCEGB-UDWIEESQSA-N 0 0 513.044 5.006 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1cccc(Br)c1 ZINC000097948318 553792860 /nfs/dbraw/zinc/79/28/60/553792860.db2.gz GGYMRIBBWIDSIM-FYBSXPHGSA-N 0 0 563.403 6.188 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1cccc(Br)c1 ZINC000097948316 553792915 /nfs/dbraw/zinc/79/29/15/553792915.db2.gz GGYMRIBBWIDSIM-SETSBSEESA-N 0 0 563.403 6.188 50 10 KKCARN COc1ccc(-c2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)n2-c2ccc(SC)cc2)cc1 ZINC000025150859 553796468 /nfs/dbraw/zinc/79/64/68/553796468.db2.gz WYVBCHFMRJRDRC-UHFFFAOYSA-N 0 0 511.691 6.156 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576982 553810699 /nfs/dbraw/zinc/81/06/99/553810699.db2.gz UBLCMNDKWHWZGA-JYFHCDHNSA-N 0 0 505.799 7.204 50 10 KKCARN CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000025578518 553811144 /nfs/dbraw/zinc/81/11/44/553811144.db2.gz MBBQXROXFPTUOS-UPVQGACJSA-N 0 0 517.254 7.064 50 10 KKCARN CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c(C[NH+]2CCC(C)CC2)c1[O-] ZINC000025582180 553811654 /nfs/dbraw/zinc/81/16/54/553811654.db2.gz JAZAAKBBVUSWAZ-UHFFFAOYSA-N 0 0 527.543 6.290 50 10 KKCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1Cl ZINC000026593281 553819703 /nfs/dbraw/zinc/81/97/03/553819703.db2.gz UAIGPGJYZAXFDM-JIZKSDINSA-N 0 0 517.010 5.903 50 10 KKCARN N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000026641760 553819811 /nfs/dbraw/zinc/81/98/11/553819811.db2.gz XPMAPNKYTLIUGO-BIYKVKLYSA-N 0 0 501.782 6.574 50 10 KKCARN CN(C)c1ccc(CN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000097953943 553820031 /nfs/dbraw/zinc/82/00/31/553820031.db2.gz JBWQIEACEMBUCP-MRXNPFEDSA-N 0 0 531.914 5.757 50 10 KKCARN Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)cc1 ZINC000026675997 553820034 /nfs/dbraw/zinc/82/00/34/553820034.db2.gz BKXXCQKNSXAFAQ-ZFIZOQOESA-N 0 0 517.010 5.774 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 ZINC000026687458 553820348 /nfs/dbraw/zinc/82/03/48/553820348.db2.gz XVQGCWUHUCBAFR-BWAHOGKJSA-N 0 0 502.640 5.267 50 10 KKCARN CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)C(Cl)(Cl)Cl ZINC000026967201 553822899 /nfs/dbraw/zinc/82/28/99/553822899.db2.gz AJHNZCYQUZRGLH-XGHXRCDJSA-N 0 0 515.871 5.299 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027471355 553825911 /nfs/dbraw/zinc/82/59/11/553825911.db2.gz XQVAHMZFPRKNFA-BWAHOGKJSA-N 0 0 505.412 6.471 50 10 KKCARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000027521060 553827371 /nfs/dbraw/zinc/82/73/71/553827371.db2.gz PRCCMOYAIJVHDS-ULJHMMPZSA-N 0 0 523.858 7.424 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000027521485 553827672 /nfs/dbraw/zinc/82/76/72/553827672.db2.gz ZKVZQICMLNUXJH-OVVQPSECSA-N 0 0 506.046 6.303 50 10 KKCARN COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)cc1OC ZINC000027521777 553828175 /nfs/dbraw/zinc/82/81/75/553828175.db2.gz UWENFNNHICZILF-ODLFYWEKSA-N 0 0 507.340 5.030 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C2=N)S1 ZINC000027549385 553833782 /nfs/dbraw/zinc/83/37/82/553833782.db2.gz KOSGVXOKFMDBRW-UAJGQANVSA-N 0 0 520.655 5.833 50 10 KKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(OCC)c3)C2=N)S1 ZINC000027549429 553833829 /nfs/dbraw/zinc/83/38/29/553833829.db2.gz QVEHDJOXSKHSAC-NKSMQJPSSA-N 0 0 527.046 6.006 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 ZINC000027549877 553834328 /nfs/dbraw/zinc/83/43/28/553834328.db2.gz KEUVMOLIQARWFO-XQWBAOJFSA-N 0 0 527.046 5.780 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000027549921 553834341 /nfs/dbraw/zinc/83/43/41/553834341.db2.gz RTQXJLAGOVRYFN-VOKATDEVSA-N 0 0 527.046 5.780 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 ZINC000027549873 553834363 /nfs/dbraw/zinc/83/43/63/553834363.db2.gz KSJMSTUXYSHOND-XQWBAOJFSA-N 0 0 527.046 5.780 50 10 KKCARN Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000029492489 553845793 /nfs/dbraw/zinc/84/57/93/553845793.db2.gz QMGRRCNDZNPPSL-USHMODERSA-N 0 0 607.761 6.530 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000097957926 553849735 /nfs/dbraw/zinc/84/97/35/553849735.db2.gz UXFCSLYZTGXDNZ-CPKFZTGJSA-N 0 0 560.720 6.784 50 10 KKCARN CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S ZINC000097957984 553850083 /nfs/dbraw/zinc/85/00/83/553850083.db2.gz FRACVGADHSKVPW-UNOMPAQXSA-N 0 0 524.458 5.145 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000097958001 553850462 /nfs/dbraw/zinc/85/04/62/553850462.db2.gz NSIUKJPMPFOWIA-ARSUQUCFSA-N 0 0 568.699 6.390 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)c(OCC)c3)C2=N)S1 ZINC000097958115 553851424 /nfs/dbraw/zinc/85/14/24/553851424.db2.gz XHAQZIOCXVANOX-FDXLEVRDSA-N 0 0 534.682 6.260 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097958541 553855402 /nfs/dbraw/zinc/85/54/02/553855402.db2.gz PCFYJJQSGGLCLR-JLPGSUDCSA-N 0 0 560.524 7.564 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097958786 553857622 /nfs/dbraw/zinc/85/76/22/553857622.db2.gz BWRBJISAXPHCCK-ZNAHQGMLSA-N 0 0 547.862 6.109 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC ZINC000097958785 553857630 /nfs/dbraw/zinc/85/76/30/553857630.db2.gz MAOTXOIOAAWFMZ-ZXYIMJIPSA-N 0 0 591.089 6.067 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000097958945 553859026 /nfs/dbraw/zinc/85/90/26/553859026.db2.gz WXOMPIHOYCRVLL-JEHUDBGOSA-N 0 0 540.645 5.827 50 10 KKCARN CC[C@H](C)c1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2)cc1 ZINC000097958928 553859059 /nfs/dbraw/zinc/85/90/59/553859059.db2.gz AOOFRROQFRMAOQ-GXOHTKSMSA-N 0 0 538.673 6.634 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C5CCCCC5)cc4)c(OC)c3)C2=N)S1 ZINC000097959050 553860006 /nfs/dbraw/zinc/86/00/06/553860006.db2.gz XNUFBSHNMVIDJY-GBAQIOGOSA-N 0 0 581.138 7.273 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000097959052 553860017 /nfs/dbraw/zinc/86/00/17/553860017.db2.gz JMKNMDXMRZCMQX-XPOMDJLWSA-N 0 0 619.143 6.936 50 10 KKCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000097959107 553860652 /nfs/dbraw/zinc/86/06/52/553860652.db2.gz CBVRGHGANBQGEE-QJOMJCCJSA-N 0 0 533.122 7.374 50 10 KKCARN CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000097959248 553862120 /nfs/dbraw/zinc/86/21/20/553862120.db2.gz KNEIGSPVKUSLJV-KKSLMDIGSA-N 0 0 547.742 7.458 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000097959469 553863940 /nfs/dbraw/zinc/86/39/40/553863940.db2.gz RGBVTSDZVOJAHQ-KQWNVCNZSA-N 0 0 546.497 7.256 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccc([C@H](C)CC)cc1 ZINC000097959618 553864814 /nfs/dbraw/zinc/86/48/14/553864814.db2.gz FZXACYLCWHHOAY-ZVZNOJEUSA-N 0 0 561.769 7.848 50 10 KKCARN COc1ccc(C=C2SC(Nc3ccccc3OC)=NC2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000032561931 553869378 /nfs/dbraw/zinc/86/93/78/553869378.db2.gz CKOXIUKSMRBFKC-OYKKKHCWSA-N 0 0 505.552 5.582 50 10 KKCARN Cc1ccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000097961008 553874794 /nfs/dbraw/zinc/87/47/94/553874794.db2.gz DHKBUMFBNWOQQG-YRRMYEEHSA-N 0 0 664.230 9.830 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1O ZINC000097962213 553883883 /nfs/dbraw/zinc/88/38/83/553883883.db2.gz XPKWJWJGBRKQQN-MKMNVTDBSA-N 0 0 521.760 5.204 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097962219 553883897 /nfs/dbraw/zinc/88/38/97/553883897.db2.gz UKARQGFKGJCZCO-MXAYSNPKSA-N 0 0 614.945 8.388 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000097962668 553884932 /nfs/dbraw/zinc/88/49/32/553884932.db2.gz SFEKSDMEBBTDDB-QPJBPQEWSA-N 0 0 637.543 5.119 50 10 KKCARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040517 553893504 /nfs/dbraw/zinc/89/35/04/553893504.db2.gz VLUNPVVSOGZVMH-NDEPHWFRSA-N 0 0 512.679 6.629 50 10 KKCARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(N(C)C)cc2)CCCC4)c(Cl)c1 ZINC000033040559 553893760 /nfs/dbraw/zinc/89/37/60/553893760.db2.gz TVWNTOXFQWTIDB-NDEPHWFRSA-N 0 0 531.125 7.583 50 10 KKCARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)cc1 ZINC000033040571 553893779 /nfs/dbraw/zinc/89/37/79/553893779.db2.gz KMGUOMNQPGKAOC-MUUNZHRXSA-N 0 0 512.679 6.629 50 10 KKCARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(N(C)C)cc2)CCCC4)c1 ZINC000033040558 553893788 /nfs/dbraw/zinc/89/37/88/553893788.db2.gz OZOYUVLYTXYGOU-GDLZYMKVSA-N 0 0 510.707 7.238 50 10 KKCARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1)CCCC3 ZINC000033040608 553893977 /nfs/dbraw/zinc/89/39/77/553893977.db2.gz AQLKGWSQKOJXNW-LJAQVGFWSA-N 0 0 526.706 6.938 50 10 KKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CCCC4)cc1 ZINC000033040603 553894035 /nfs/dbraw/zinc/89/40/35/553894035.db2.gz VGEBKIRMRHEJFO-HHHXNRCGSA-N 0 0 518.633 6.899 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097964059 553896324 /nfs/dbraw/zinc/89/63/24/553896324.db2.gz QINZZAFZVQBSKV-FGXAMJACSA-N 0 0 595.906 6.666 50 10 KKCARN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000097964125 553896506 /nfs/dbraw/zinc/89/65/06/553896506.db2.gz PZGPAOINMBJLJS-JCMHNJIXSA-N 0 0 531.577 7.328 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000097964127 553896581 /nfs/dbraw/zinc/89/65/81/553896581.db2.gz ZWJMXNUHRNBJBO-BKUYFWCQSA-N 0 0 551.589 5.888 50 10 KKCARN Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1C ZINC000097964932 553901954 /nfs/dbraw/zinc/90/19/54/553901954.db2.gz GVIDUOGEIMWOSQ-REPNPYAISA-N 0 0 577.710 6.734 50 10 KKCARN Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c3ccccc32)cc1C ZINC000097964920 553901961 /nfs/dbraw/zinc/90/19/61/553901961.db2.gz PGRSBBLCBTXQLT-NNJIMWGHSA-N 0 0 563.683 6.344 50 10 KKCARN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COc2ccc4ccccc4c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000097965169 553903459 /nfs/dbraw/zinc/90/34/59/553903459.db2.gz OCKBIWXCNUZBMP-NYAIPACSSA-N 0 0 558.726 7.174 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097966234 553907616 /nfs/dbraw/zinc/90/76/16/553907616.db2.gz QVBDIHHRVHFTCZ-JBVVKUDMSA-N 0 0 565.482 6.947 50 10 KKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1Br ZINC000033155006 553911352 /nfs/dbraw/zinc/91/13/52/553911352.db2.gz DOJULVNHAGMKQO-XIEYBQDHSA-N 0 0 508.415 7.596 50 10 KKCARN COc1cc(/C=C2/C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc(OC)c1OC ZINC000033336012 553921550 /nfs/dbraw/zinc/92/15/50/553921550.db2.gz HDPHUWVFXOJQTM-RQZCQDPDSA-N 0 0 514.401 5.405 50 10 KKCARN CCCC(=O)N1c2ccc(C)cc2/C(=C2\SC(C(=O)OCC)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000033347486 553921884 /nfs/dbraw/zinc/92/18/84/553921884.db2.gz WSFJMLANTDAMEC-HPNDGRJYSA-N 0 0 523.745 7.371 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2/c3cc(OC)ccc3N(C(=O)CC)C(C)(C)C2=S)S1 ZINC000033347983 553922083 /nfs/dbraw/zinc/92/20/83/553922083.db2.gz GUYAAFQOMHMSOL-YYADALCUSA-N 0 0 525.717 6.681 50 10 KKCARN CCOc1cc(/C=C2/SC(N(C(C)=O)c3ccccc3C)=NC2=O)c(Br)cc1OC(C)C ZINC000033349788 553922492 /nfs/dbraw/zinc/92/24/92/553922492.db2.gz KJMAFFGKPGPLSI-WSDLNYQXSA-N 0 0 517.445 5.967 50 10 KKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc3)SC2=S)cc1 ZINC000033353135 553923192 /nfs/dbraw/zinc/92/31/92/553923192.db2.gz PSXJEXWOUBNGIT-YSSBIZNGSA-N 0 0 587.978 6.729 50 10 KKCARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000033353370 553924800 /nfs/dbraw/zinc/92/48/00/553924800.db2.gz WUDIPQQIEBNLGO-ZXVVBBHZSA-N 0 0 550.497 6.412 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000033355093 553932843 /nfs/dbraw/zinc/93/28/43/553932843.db2.gz ICAVRYIXMKMQNC-GDLZYMKVSA-N 0 0 583.113 6.455 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000033355121 553933252 /nfs/dbraw/zinc/93/32/52/553933252.db2.gz OGWBMQVRRLKJLM-GGSCDZLUSA-N 0 0 572.609 6.382 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C(=O)/C=C/c3ccc(OC)cc3)C(C)(C)C2=S)S1 ZINC000097968834 553934627 /nfs/dbraw/zinc/93/46/27/553934627.db2.gz OVKGIXJBJJZVSR-NTCAYCPXSA-N 0 0 567.710 5.610 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000033356386 553941120 /nfs/dbraw/zinc/94/11/20/553941120.db2.gz BTEVQFOVUCRENE-IHRLJDSVSA-N 0 0 521.942 5.574 50 10 KKCARN CC1CCN(c2cc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000033356523 553942336 /nfs/dbraw/zinc/94/23/36/553942336.db2.gz UYTYLRLJVHDWER-UHFFFAOYSA-N 0 0 557.094 6.130 50 10 KKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356521 553942363 /nfs/dbraw/zinc/94/23/63/553942363.db2.gz HSIAHWRTGVDPLV-UHFFFAOYSA-N 0 0 534.572 5.295 50 10 KKCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000033358251 553953990 /nfs/dbraw/zinc/95/39/90/553953990.db2.gz SPRLUGCWZOGWHJ-LPYMAVHISA-N 0 0 533.253 6.232 50 10 KKCARN COc1ccc(C2=NC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2cccc(C(C)=O)c2)cc1Br ZINC000033358330 553954529 /nfs/dbraw/zinc/95/45/29/553954529.db2.gz ZWHAOAQGYKFFEY-UUYOSTAYSA-N 0 0 520.339 5.403 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000033358537 553956542 /nfs/dbraw/zinc/95/65/42/553956542.db2.gz SRMLNZHRIAVODQ-GBIJUZDQSA-N 0 0 583.710 5.544 50 10 KKCARN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC(=S)N1c1cccc(F)c1 ZINC000033358621 553957101 /nfs/dbraw/zinc/95/71/01/553957101.db2.gz DMBAICXSSHKXHI-SRZZPIQSSA-N 0 0 518.404 6.712 50 10 KKCARN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1 ZINC000033358632 553957148 /nfs/dbraw/zinc/95/71/48/553957148.db2.gz UWJMJIQZTRLTKK-OCEACIFDSA-N 0 0 672.876 5.728 50 10 KKCARN CN(C)c1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000033409033 553958940 /nfs/dbraw/zinc/95/89/40/553958940.db2.gz WYYPOXKTIJFXQW-QNGOZBTKSA-N 0 0 505.068 6.594 50 10 KKCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000097972350 553966897 /nfs/dbraw/zinc/96/68/97/553966897.db2.gz UCZQPPYTYICFHG-YXHOTNNGSA-N 0 0 545.430 6.430 50 10 KKCARN CCN1C(=O)/C(=C/c2ccc(NC(=O)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)SC1=S ZINC000033710144 553969524 /nfs/dbraw/zinc/96/95/24/553969524.db2.gz CBGALEMVBGBKAF-JLPGSUDCSA-N 0 0 504.633 6.026 50 10 KKCARN CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000033938977 553979813 /nfs/dbraw/zinc/97/98/13/553979813.db2.gz RDZPSXIKZPEMSM-KHRWHRTMSA-N 0 0 513.085 6.909 50 10 KKCARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000034106187 553980560 /nfs/dbraw/zinc/98/05/60/553980560.db2.gz NODIOTJRJTZFFJ-NLRVBDNBSA-N 0 0 511.672 6.730 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1C ZINC000034105941 553980573 /nfs/dbraw/zinc/98/05/73/553980573.db2.gz OAQAXKGHMFTMEF-BUVRLJJBSA-N 0 0 501.633 6.241 50 10 KKCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4ccccc4nc4c3CCCC4=Cc3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000097979840 553983061 /nfs/dbraw/zinc/98/30/61/553983061.db2.gz KPKKRLWMVSRIRN-WEMUOSSPSA-N 0 0 612.770 8.865 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(=O)c3ccc4ccccc4c3)C(C)(C)C2=S)S1 ZINC000097994471 554032027 /nfs/dbraw/zinc/03/20/27/554032027.db2.gz PVDCLECNGBRMPW-UHFFFAOYSA-N 0 0 575.733 6.663 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1ccc(I)cc1 ZINC000097996139 554038343 /nfs/dbraw/zinc/03/83/43/554038343.db2.gz KIXPPMHBIXCKAZ-SETSBSEESA-N 0 0 610.403 6.030 50 10 KKCARN CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1ccccc1F ZINC000097996165 554038354 /nfs/dbraw/zinc/03/83/54/554038354.db2.gz SAPMKOHCMNSIPK-UHFFFAOYSA-N 0 0 573.689 5.740 50 10 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549.593 6.451 50 10 KKCARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000098017628 554109380 /nfs/dbraw/zinc/10/93/80/554109380.db2.gz ICSRDOKWKZMVNN-UHFFFAOYSA-N 0 0 541.652 5.264 50 10 KKCARN CN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035962117 554110880 /nfs/dbraw/zinc/11/08/80/554110880.db2.gz LFYLDJZCJGARQT-QFIPXVFZSA-N 0 0 502.924 5.147 50 10 KKCARN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)c(C)n2-c2ccccc2F)c1 ZINC000098019637 554113475 /nfs/dbraw/zinc/11/34/75/554113475.db2.gz BZEBWLYAMIPUNX-UHFFFAOYSA-N 0 0 577.012 5.760 50 10 KKCARN CCCCOC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)OCCCC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000098045122 554130893 /nfs/dbraw/zinc/13/08/93/554130893.db2.gz PZXDZRDSSHLSDM-UHFFFAOYSA-N 0 0 646.696 6.880 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)c(C)cc3N(C(=O)c3ccccc3Cl)C(C)(C)C2=S)S1 ZINC000098045430 554131563 /nfs/dbraw/zinc/13/15/63/554131563.db2.gz 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/nfs/dbraw/zinc/26/74/77/554267477.db2.gz IFRHVPWXKOBWBJ-BNLMHUEYSA-N 0 0 546.446 6.211 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100267615 554267629 /nfs/dbraw/zinc/26/76/29/554267629.db2.gz OPQILCNWCCWUSH-FBWGSYAESA-N 0 0 550.467 7.275 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000100269827 554268845 /nfs/dbraw/zinc/26/88/45/554268845.db2.gz IOJQLYKNFSHVQN-ONUIUJJFSA-N 0 0 554.133 7.644 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000100299659 554290224 /nfs/dbraw/zinc/29/02/24/554290224.db2.gz YRSUOJDNVDASEO-WSDLNYQXSA-N 0 0 530.454 6.623 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100299500 554290233 /nfs/dbraw/zinc/29/02/33/554290233.db2.gz VJNQCZUQFMCLBN-BHGWPJFGSA-N 0 0 540.106 6.876 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000100300005 554290646 /nfs/dbraw/zinc/29/06/46/554290646.db2.gz IFMHUQAWIHDYCV-LPYMAVHISA-N 0 0 529.561 6.647 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000100300129 554290649 /nfs/dbraw/zinc/29/06/49/554290649.db2.gz GCLDCDLDCZNZTK-SRZZPIQSSA-N 0 0 550.872 7.280 50 10 KKCARN COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1C ZINC000041108343 554295116 /nfs/dbraw/zinc/29/51/16/554295116.db2.gz DIIKUEQUMKSLNE-LNQWCPNTSA-N 0 0 513.623 5.418 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(OC)c3)SC2=S)cc1OC ZINC000100308610 554297308 /nfs/dbraw/zinc/29/73/08/554297308.db2.gz CCWKQBHLPKPPAB-TURZUDJPSA-N 0 0 591.751 6.673 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)SC2=S)cc1OC ZINC000100308641 554297564 /nfs/dbraw/zinc/29/75/64/554297564.db2.gz LALNSKBQPRKWKM-HZHRSRAPSA-N 0 0 541.672 5.437 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100310175 554300021 /nfs/dbraw/zinc/30/00/21/554300021.db2.gz DZAYIGYAEZKYIF-WSDLNYQXSA-N 0 0 523.548 5.705 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000100319221 554303918 /nfs/dbraw/zinc/30/39/18/554303918.db2.gz QUPBXDGBYHJSHK-QZPXRHMKSA-N 0 0 554.915 6.070 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S ZINC000100339942 554324575 /nfs/dbraw/zinc/32/45/75/554324575.db2.gz IDTUYLGVXAQZFI-LPYMAVHISA-N 0 0 530.440 6.582 50 10 KKCARN CC(C)c1ccc([C@@H]2N(c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H](c3ccc(C(C)C)cc3)C23C(=O)c2ccccc2C3=O)cc1 ZINC000049766781 554325677 /nfs/dbraw/zinc/32/56/77/554325677.db2.gz RFPMEPBFMUZGMY-UWXQCODUSA-N 0 0 643.783 9.162 50 10 KKCARN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000100341248 554325760 /nfs/dbraw/zinc/32/57/60/554325760.db2.gz FEQWKAOBQIKEOJ-WOJGMQOQSA-N 0 0 522.442 5.114 50 10 KKCARN COc1ccccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2OC)SC1=S ZINC000100342093 554326789 /nfs/dbraw/zinc/32/67/89/554326789.db2.gz GTHIUOKIMUNVTM-OVCLIPMQSA-N 0 0 609.248 5.319 50 10 KKCARN O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 ZINC000100347687 554330528 /nfs/dbraw/zinc/33/05/28/554330528.db2.gz KLHPQCUGOKJOIM-MOSHPQCFSA-N 0 0 528.036 5.946 50 10 KKCARN CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000053292099 554332279 /nfs/dbraw/zinc/33/22/79/554332279.db2.gz BNOSEALNIPVEJS-LJAQVGFWSA-N 0 0 557.614 6.181 50 10 KKCARN O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000100354918 554334232 /nfs/dbraw/zinc/33/42/32/554334232.db2.gz KYLATRGSSTUELR-UHFFFAOYSA-N 0 0 614.013 8.483 50 10 KKCARN CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000053319457 554338372 /nfs/dbraw/zinc/33/83/72/554338372.db2.gz JOWRPJQWPGLAHC-WJOKGBTCSA-N 0 0 569.669 7.125 50 10 KKCARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1O)N1c3ccccc3NC(=Nc3cccc(C)c3)C1=N2 ZINC000053335080 554340710 /nfs/dbraw/zinc/34/07/10/554340710.db2.gz YTBOOTAHBINLTQ-NDEPHWFRSA-N 0 0 590.485 7.148 50 10 KKCARN Cc1ccc([C@H]2N=C(c3ccc(Br)cc3)C[C@H](c3cc(Br)ccc3O)N2)c(C)c1 ZINC000053363900 554346078 /nfs/dbraw/zinc/34/60/78/554346078.db2.gz PYBNMMFBBJIFTL-VWNXMTODSA-N 0 0 514.261 6.757 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000053363748 554346134 /nfs/dbraw/zinc/34/61/34/554346134.db2.gz JBQSVYGTPABCEM-CVDCTZTESA-N 0 0 520.210 6.413 50 10 KKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(OC)c(Br)c3)N2)c1O ZINC000053364036 554346445 /nfs/dbraw/zinc/34/64/45/554346445.db2.gz IYMCCEXUQWAEQF-YIXXDRMTSA-N 0 0 509.444 6.347 50 10 KKCARN CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(F)c(Br)c3)N2)c1O ZINC000053364091 554346468 /nfs/dbraw/zinc/34/64/68/554346468.db2.gz SAHGCGVIBHSMCZ-ZJSXRUAMSA-N 0 0 548.250 6.678 50 10 KKCARN Oc1ccc(Cl)cc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000053364546 554347220 /nfs/dbraw/zinc/34/72/20/554347220.db2.gz CQOTUWAYKFLCED-IFMALSPDSA-N 0 0 538.642 6.932 50 10 KKCARN Cc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000053364715 554347396 /nfs/dbraw/zinc/34/73/96/554347396.db2.gz ZBHUDMMTHQOZRG-JTHBVZDNSA-N 0 0 518.224 6.587 50 10 KKCARN COc1cccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000053364993 554347605 /nfs/dbraw/zinc/34/76/05/554347605.db2.gz SXEUSXILOIQDNU-GMAHTHKFSA-N 0 0 534.223 6.287 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(Cl)c1Cl)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000100414570 554379373 /nfs/dbraw/zinc/37/93/73/554379373.db2.gz LVDRHBHYPYSKBQ-SBHAEUEKSA-N 0 0 571.210 5.451 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000100415215 554380854 /nfs/dbraw/zinc/38/08/54/554380854.db2.gz REMNUTUTHCRYID-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426404 554388050 /nfs/dbraw/zinc/38/80/50/554388050.db2.gz PFGQXRLMDUQAPJ-XOAACPPSSA-N 0 0 601.747 8.414 50 10 KKCARN O=C(C(=O)c1cccc(I)c1)c1ccc(C(=O)C(=O)c2cccc(I)c2)cc1 ZINC000100453662 554395635 /nfs/dbraw/zinc/39/56/35/554395635.db2.gz BZRSFTDIMXYQIN-UHFFFAOYSA-N 0 0 594.142 5.027 50 10 KKCARN O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100475376 554400672 /nfs/dbraw/zinc/40/06/72/554400672.db2.gz BOXXMBFFCGQWAB-FBHDLOMBSA-N 0 0 521.532 5.124 50 10 KKCARN Cc1cc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)ccc1Cl ZINC000100476227 554400928 /nfs/dbraw/zinc/40/09/28/554400928.db2.gz GDXJUTXJDULEIE-FSSWDIPSSA-N 0 0 550.792 5.106 50 10 KKCARN COc1cccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)c1OC ZINC000100491678 554403019 /nfs/dbraw/zinc/40/30/19/554403019.db2.gz UFERLHCCJDUFES-YCASKEOHSA-N 0 0 503.396 6.356 50 10 aggregator KKCARN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccc(Br)cc1 ZINC000100542147 554413421 /nfs/dbraw/zinc/41/34/21/554413421.db2.gz NKKZBQPQMQOWKC-WOJGMQOQSA-N 0 0 530.381 5.164 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100557334 554416734 /nfs/dbraw/zinc/41/67/34/554416734.db2.gz CJXWLAVKYFLJBA-PVHODMMVSA-N 0 0 578.418 5.811 50 10 KKCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000100566344 554419777 /nfs/dbraw/zinc/41/97/77/554419777.db2.gz IDWPBLRVLPOECX-PXLXIMEGSA-N 0 0 543.259 5.687 50 10 KKCARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574914 554422704 /nfs/dbraw/zinc/42/27/04/554422704.db2.gz FCHGSGIRSJAGBI-PKTZIBPZSA-N 0 0 563.268 6.427 50 10 KKCARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574920 554422747 /nfs/dbraw/zinc/42/27/47/554422747.db2.gz FCHGSGIRSJAGBI-DHIUTWEWSA-N 0 0 563.268 6.427 50 10 KKCARN COc1cc(OC)c(/C=C2\C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000059735139 554427087 /nfs/dbraw/zinc/42/70/87/554427087.db2.gz SIAQGUNZYBMBGL-MTJSOVHGSA-N 0 0 605.470 6.641 50 10 KKCARN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000100601264 554431874 /nfs/dbraw/zinc/43/18/74/554431874.db2.gz CDGJPKFJVJBDGO-UFFVCSGVSA-N 0 0 540.415 7.997 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100618096 554433334 /nfs/dbraw/zinc/43/33/34/554433334.db2.gz QERQDQSZZACRCB-IMUCPKNRSA-N 0 0 611.167 5.521 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(C)c(C)cc3N(C(=O)C(C)C)C(C)(C)C2=S)S1 ZINC000100634119 554435508 /nfs/dbraw/zinc/43/55/08/554435508.db2.gz LAZFKVZGBSXVLS-SLMZUGIISA-N 0 0 537.772 7.535 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OCCOc1ccccc1 ZINC000100642082 554436038 /nfs/dbraw/zinc/43/60/38/554436038.db2.gz IVIBNACUXOIZJR-HACRSSKKSA-N 0 0 543.443 5.335 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100648013 554436667 /nfs/dbraw/zinc/43/66/67/554436667.db2.gz BRLLQEHFIOSUPO-IMUCPKNRSA-N 0 0 594.712 5.006 50 10 KKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000100654431 554437595 /nfs/dbraw/zinc/43/75/95/554437595.db2.gz JAKUKBFMLHNMQV-PEYOBPGZSA-N 0 0 529.018 5.234 50 10 KKCARN CCOc1cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000100656690 554437979 /nfs/dbraw/zinc/43/79/79/554437979.db2.gz WTILACZESPOTLS-WTBBOTSPSA-N 0 0 534.682 6.332 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1C ZINC000100666742 554440235 /nfs/dbraw/zinc/44/02/35/554440235.db2.gz IPDRLYQPWYAYCN-AMCWRZLLSA-N 0 0 562.570 5.050 50 10 KKCARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)c4ccc(OC)c(OC)c4)cc2C3=O)cc1OC ZINC000100690262 554449860 /nfs/dbraw/zinc/44/98/60/554449860.db2.gz IUQITYNTRLFDBD-UHFFFAOYSA-N 0 0 566.566 5.001 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000100696563 554451079 /nfs/dbraw/zinc/45/10/79/554451079.db2.gz ZZONCBUECLLPHQ-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000100710435 554453260 /nfs/dbraw/zinc/45/32/60/554453260.db2.gz ZQBJGROQSOGHKK-MWXWASHKSA-N 0 0 526.618 5.405 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2OC)cc1 ZINC000100710571 554453615 /nfs/dbraw/zinc/45/36/15/554453615.db2.gz GUTBYKVFKMPZLP-SMIDNAKXSA-N 0 0 542.617 5.023 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C ZINC000100710604 554453625 /nfs/dbraw/zinc/45/36/25/554453625.db2.gz QSEWADISQVUYEE-VVFBJTNSSA-N 0 0 554.672 6.022 50 10 KKCARN COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)cc1 ZINC000100711539 554453849 /nfs/dbraw/zinc/45/38/49/554453849.db2.gz UKTDNWHPVLPSLL-SHSFFGECSA-N 0 0 529.018 5.090 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000100711646 554453884 /nfs/dbraw/zinc/45/38/84/554453884.db2.gz QRIYESAQGMQYFI-IQZWZXOTSA-N 0 0 541.073 6.089 50 10 KKCARN COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC ZINC000100711664 554454138 /nfs/dbraw/zinc/45/41/38/554454138.db2.gz SSKDYOARWXFDSC-LZOQZYQRSA-N 0 0 543.045 5.480 50 10 KKCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2OC)cc1 ZINC000100711661 554454180 /nfs/dbraw/zinc/45/41/80/554454180.db2.gz NOFJLRCOYPWGRC-WNUQXASFSA-N 0 0 542.617 5.137 50 10 KKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)SC1=S ZINC000100716579 554454874 /nfs/dbraw/zinc/45/48/74/554454874.db2.gz CDLYUXVWHJZPSL-ZQJHPXIRSA-N 0 0 545.733 8.005 50 10 KKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000100727333 554457746 /nfs/dbraw/zinc/45/77/46/554457746.db2.gz CNNUDQWMUBHBKD-OZXSUGGESA-N 0 0 550.250 7.313 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000100729471 554459049 /nfs/dbraw/zinc/45/90/49/554459049.db2.gz OSGAGAUIEMVVES-CSEHATQYSA-N 0 0 545.642 5.466 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100741163 554463135 /nfs/dbraw/zinc/46/31/35/554463135.db2.gz YCHLDQUWABZTKE-ACRUOGEOSA-N 0 0 526.759 5.342 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000100753470 554466697 /nfs/dbraw/zinc/46/66/97/554466697.db2.gz ZIGRUYWEPPJEGL-MKPYTUQKSA-N 0 0 530.049 6.930 50 10 KKCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(I)cc1 ZINC000100769225 554470685 /nfs/dbraw/zinc/47/06/85/554470685.db2.gz HGMYDWHWTYJYJY-ATVHPVEESA-N 0 0 542.851 5.565 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3)C2=O)SC1=S ZINC000100775176 554471934 /nfs/dbraw/zinc/47/19/34/554471934.db2.gz KDNWPQBEUDUSNY-AXUOHLPSSA-N 0 0 537.707 5.468 50 10 KKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)C2=O)cc1 ZINC000100782767 554472435 /nfs/dbraw/zinc/47/24/35/554472435.db2.gz PRVYZDZPLMNMKE-IWIPYMOSSA-N 0 0 537.131 7.459 50 10 KKCARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C ZINC000100793278 554473570 /nfs/dbraw/zinc/47/35/70/554473570.db2.gz MYRUFXRRKZOWKR-GAEQYNAZSA-N 0 0 544.721 6.352 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C(=O)OCC)cc3)C2=O)SC1=S ZINC000100836793 554483737 /nfs/dbraw/zinc/48/37/37/554483737.db2.gz DAYGQZNNNYRCAC-VHXPQNKSSA-N 0 0 551.690 5.000 50 10 KKCARN O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccco1 ZINC000100837898 554484585 /nfs/dbraw/zinc/48/45/85/554484585.db2.gz AKIRTHMUHBVNAB-QRQIAZFYSA-N 0 0 584.122 7.766 50 10 KKCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)C[C@H](C)O1 ZINC000100838914 554486729 /nfs/dbraw/zinc/48/67/29/554486729.db2.gz OCTYGOFTGQPKGB-HGKDCZMISA-N 0 0 568.674 6.337 50 10 KKCARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000100840014 554487939 /nfs/dbraw/zinc/48/79/39/554487939.db2.gz PTIAICMCXVOOKI-NAZSJVEXSA-N 0 0 567.758 5.353 50 10 KKCARN C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)S2)C1 ZINC000100839861 554487982 /nfs/dbraw/zinc/48/79/82/554487982.db2.gz JLIUSQZHWCALQI-KFWCYXQISA-N 0 0 569.130 7.474 50 10 KKCARN CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4F)cc3)S2)CC1 ZINC000100839868 554488033 /nfs/dbraw/zinc/48/80/33/554488033.db2.gz NUVNPFNKJRAYNO-CEUNXORHSA-N 0 0 552.675 6.960 50 10 KKCARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c(C)c1 ZINC000100839797 554488039 /nfs/dbraw/zinc/48/80/39/554488039.db2.gz ZRLITRNIWHAMAS-QXPFVDMISA-N 0 0 605.163 8.478 50 10 KKCARN COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000100840425 554488724 /nfs/dbraw/zinc/48/87/24/554488724.db2.gz DJPJNSWOWSXZSR-IMRQLAEWSA-N 0 0 559.688 6.495 50 10 KKCARN COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000100840410 554488753 /nfs/dbraw/zinc/48/87/53/554488753.db2.gz OLWQVBVNKMVJRN-ONUIUJJFSA-N 0 0 545.661 6.105 50 10 KKCARN CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccccc2Br)cc1 ZINC000100848462 554491816 /nfs/dbraw/zinc/49/18/16/554491816.db2.gz MCJZNKVKRBQLRP-HSZRJFAPSA-N 0 0 527.260 6.269 50 10 KKCARN CCOc1ccc(-c2cc(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000100871270 554498706 /nfs/dbraw/zinc/49/87/06/554498706.db2.gz MDYAEWWORLHMES-WGOQTCKBSA-N 0 0 577.087 6.901 50 10 KKCARN CCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)C1=O ZINC000100871356 554499001 /nfs/dbraw/zinc/49/90/01/554499001.db2.gz MXDKWNKHDROHJV-MRCUWXFGSA-N 0 0 547.496 5.037 50 10 KKCARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)C2=O)c(OC)c1 ZINC000100871646 554499625 /nfs/dbraw/zinc/49/96/25/554499625.db2.gz HCNWZOYZAPVUAL-LCINFKEOSA-N 0 0 559.669 5.022 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1Cl ZINC000100871748 554499970 /nfs/dbraw/zinc/49/99/70/554499970.db2.gz URXQERYXSOVXDI-SAHIIKMKSA-N 0 0 532.090 7.164 50 10 KKCARN CCCCN1c2ccc(Br)cc2/C(=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)C1=O ZINC000100872299 554501033 /nfs/dbraw/zinc/50/10/33/554501033.db2.gz KQSPMLGJAZIMPI-DQRAZIAOSA-N 0 0 561.523 5.427 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C3\c4ccccc4N(CC(=O)Nc4ccc(C)cc4C)C3=O)SC2=S)cc1 ZINC000100872298 554501065 /nfs/dbraw/zinc/50/10/65/554501065.db2.gz DCCMJDSCXPPCMM-QPLCGJKRSA-N 0 0 543.670 5.069 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S ZINC000100873090 554501892 /nfs/dbraw/zinc/50/18/92/554501892.db2.gz OPQVHWJRGBZLEN-XYZKMYPFSA-N 0 0 547.790 7.992 50 10 KKCARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CC[C@H](C)C5)c2C)cc1 ZINC000100889804 554510976 /nfs/dbraw/zinc/51/09/76/554510976.db2.gz RPWUYLSVIFLFDP-FQEVSTJZSA-N 0 0 611.789 7.131 50 10 KKCARN CCCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)c2cc(Br)ccc21 ZINC000100893205 554512835 /nfs/dbraw/zinc/51/28/35/554512835.db2.gz YEZMWNCWIZSEKS-NFFVOIMASA-N 0 0 537.589 7.164 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000100893058 554512905 /nfs/dbraw/zinc/51/29/05/554512905.db2.gz APBRDHFRKUOESZ-LBNMDVIHSA-N 0 0 543.552 6.784 50 10 KKCARN O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100911918 554518008 /nfs/dbraw/zinc/51/80/08/554518008.db2.gz ZFDPDIHTRCOESB-KOEQRZSOSA-N 0 0 535.025 5.620 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100924730 554523457 /nfs/dbraw/zinc/52/34/57/554523457.db2.gz GXOGKTZCHOPMIN-PCLIKHOPSA-N 0 0 535.025 5.620 50 10 KKCARN COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000100930284 554526835 /nfs/dbraw/zinc/52/68/35/554526835.db2.gz YWABKNJYDYSMMK-DEOSSOPVSA-N 0 0 600.741 5.322 50 10 KKCARN CC(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 ZINC000100936892 554531105 /nfs/dbraw/zinc/53/11/05/554531105.db2.gz GRYUMZGNFAXSTP-UHSBVEPQSA-N 0 0 546.052 5.984 50 10 KKCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000100945286 554533752 /nfs/dbraw/zinc/53/37/52/554533752.db2.gz XSYUIGMPMWGQFX-SDYUXKCASA-N 0 0 532.025 5.689 50 10 KKCARN Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 ZINC000100946345 554534307 /nfs/dbraw/zinc/53/43/07/554534307.db2.gz GNTDFWSORBHLOC-VLXLKOCRSA-N 0 0 532.025 5.559 50 10 KKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S ZINC000100947992 554536426 /nfs/dbraw/zinc/53/64/26/554536426.db2.gz GBRALFFNFRGHGD-SZHLLGMXSA-N 0 0 528.099 6.558 50 10 KKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S ZINC000100947988 554536494 /nfs/dbraw/zinc/53/64/94/554536494.db2.gz GBRALFFNFRGHGD-VKZJTJHYSA-N 0 0 528.099 6.558 50 10 KKCARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000100952771 554537687 /nfs/dbraw/zinc/53/76/87/554537687.db2.gz SUHZHLNMQOVXHI-KKUQBAQOSA-N 0 0 540.457 6.498 50 10 KKCARN Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000100959073 554541853 /nfs/dbraw/zinc/54/18/53/554541853.db2.gz SAYHXBXNNCDNLO-USHMODERSA-N 0 0 539.726 7.079 50 10 KKCARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000100969644 554543382 /nfs/dbraw/zinc/54/33/82/554543382.db2.gz UDOGKWQOXYVREW-SSBOKUKZSA-N 0 0 544.538 6.050 50 10 KKCARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000100970213 554543656 /nfs/dbraw/zinc/54/36/56/554543656.db2.gz OANGWAPUYGARBC-DYIKCSJPSA-N 0 0 540.575 6.220 50 10 KKCARN Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 ZINC000100970476 554543671 /nfs/dbraw/zinc/54/36/71/554543671.db2.gz SBZOPAIQZLMSAG-DYIKCSJPSA-N 0 0 540.575 6.220 50 10 KKCARN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1 ZINC000100972175 554544275 /nfs/dbraw/zinc/54/42/75/554544275.db2.gz FRKAYTLEXGBJOU-DYIKCSJPSA-N 0 0 540.575 6.220 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000101000877 554552260 /nfs/dbraw/zinc/55/22/60/554552260.db2.gz YDYFTSNYAWGXGG-UNOMPAQXSA-N 0 0 568.067 6.636 50 10 KKCARN CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)SC1=S ZINC000101013429 554558688 /nfs/dbraw/zinc/55/86/88/554558688.db2.gz IQHMYZGFFPDRFP-QOMWVZHYSA-N 0 0 535.804 8.213 50 10 KKCARN CC(C)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000101015939 554560200 /nfs/dbraw/zinc/56/02/00/554560200.db2.gz HHIRHOMNOGYVTP-HJOGWXRNSA-N 0 0 544.401 5.268 50 10 KKCARN COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000101041648 554567543 /nfs/dbraw/zinc/56/75/43/554567543.db2.gz NHDZWGHIFASORL-BZXCCTPPSA-N 0 0 546.674 5.889 50 10 KKCARN O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000101051225 554568636 /nfs/dbraw/zinc/56/86/36/554568636.db2.gz ZUYSPTJXPOQEJA-HMAPJEAMSA-N 0 0 529.405 5.954 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101071332 554575702 /nfs/dbraw/zinc/57/57/02/554575702.db2.gz RDOFZPVZEPUSQB-CYXNTTPDSA-N 0 0 619.353 7.260 50 10 KKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000101077948 554578019 /nfs/dbraw/zinc/57/80/19/554578019.db2.gz WZCQPKZVNOEHNX-ZVHZXABRSA-N 0 0 529.394 5.272 50 10 KKCARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 ZINC000101083641 554579732 /nfs/dbraw/zinc/57/97/32/554579732.db2.gz BUMVCFYLKHBJOJ-SSBOKUKZSA-N 0 0 605.444 6.674 50 10 KKCARN N=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN21 ZINC000101086551 554580762 /nfs/dbraw/zinc/58/07/62/554580762.db2.gz WGSYSHNRQWCFND-BTGMWCQSSA-N 0 0 518.396 5.091 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092676 554583095 /nfs/dbraw/zinc/58/30/95/554583095.db2.gz SQSAJDOXKVJWGV-ZNZIZOMTSA-N 0 0 585.454 6.406 50 10 KKCARN CN(C)c1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000101098785 554585437 /nfs/dbraw/zinc/58/54/37/554585437.db2.gz ODEJYUFPSLIZTF-VJBWXMMDSA-N 0 0 588.289 5.082 50 10 KKCARN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)SC2=S)cc1 ZINC000101099683 554586371 /nfs/dbraw/zinc/58/63/71/554586371.db2.gz KJXOMDIIYBUOOV-OGLMXYFKSA-N 0 0 527.667 6.837 50 10 KKCARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000101101197 554588019 /nfs/dbraw/zinc/58/80/19/554588019.db2.gz RWSVSQFDSVZUJJ-YTCPBCGMSA-N 0 0 549.548 7.022 50 10 KKCARN COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NCc5ccccc5)cc4)nc(C)c3C)CC2)cc1 ZINC000101101309 554638741 /nfs/dbraw/zinc/63/87/41/554638741.db2.gz ILYCPPQJQMRUCH-UHFFFAOYSA-N 0 0 553.732 5.651 50 10 KKCARN O=C1C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000101108212 554640494 /nfs/dbraw/zinc/64/04/94/554640494.db2.gz AFHYIGKQUORKMG-UHFFFAOYSA-N 0 0 529.415 6.457 50 10 KKCARN Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1Cl ZINC000101119946 554643614 /nfs/dbraw/zinc/64/36/14/554643614.db2.gz QRZNZCVTKLOJRL-DEGVDWGGSA-N 0 0 536.057 5.249 50 10 KKCARN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000101122771 554643911 /nfs/dbraw/zinc/64/39/11/554643911.db2.gz BPXXZOFHLCCOOF-CIAFOILYSA-N 0 0 553.833 6.470 50 10 KKCARN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000101128896 554647399 /nfs/dbraw/zinc/64/73/99/554647399.db2.gz ARJZLSFNEWAVFC-XIEYBQDHSA-N 0 0 588.158 5.384 50 10 KKCARN Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000101130646 554649771 /nfs/dbraw/zinc/64/97/71/554649771.db2.gz YSRCQQXWJHNZIF-KOEQRZSOSA-N 0 0 556.713 5.456 50 10 KKCARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000101133341 554650719 /nfs/dbraw/zinc/65/07/19/554650719.db2.gz AFEBCXQEDIVCCZ-YTFSRNRJSA-N 0 0 520.368 5.305 50 10 KKCARN Cc1ccc(-c2ccccc2)n1[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)N(CC(C)C)CC(C)C)C(C)(C)C ZINC000101148188 554656552 /nfs/dbraw/zinc/65/65/52/554656552.db2.gz RIAIKFUBJYQDBD-CRXYYGHGSA-N 0 0 538.846 6.967 50 10 KKCARN O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000101155590 554658660 /nfs/dbraw/zinc/65/86/60/554658660.db2.gz CCKVMMJJJGVWCN-HYARGMPZSA-N 0 0 518.853 6.699 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101156889 554658775 /nfs/dbraw/zinc/65/87/75/554658775.db2.gz PNMCHUFEKRJOPX-QKNQBKEWSA-N 0 0 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O=C1c2ccccc2-c2onc3c2c1c(NC1CCCCC1)cc3N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101432272 554770595 /nfs/dbraw/zinc/77/05/95/554770595.db2.gz UWKNBJNALSTTBF-UHFFFAOYSA-N 0 0 536.632 5.835 50 10 KKCARN Cc1cc(C)c(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1 ZINC000101432978 554771605 /nfs/dbraw/zinc/77/16/05/554771605.db2.gz VNVWTKKEFTZUDS-UHFFFAOYSA-N 0 0 532.619 7.174 50 10 KKCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000101441899 554773314 /nfs/dbraw/zinc/77/33/14/554773314.db2.gz IQANUYULVHQPJV-VYIPLNHISA-N 0 0 533.591 5.764 50 10 KKCARN COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000101441905 554773364 /nfs/dbraw/zinc/77/33/64/554773364.db2.gz FIARANKXUHZVLJ-SPXSAIPKSA-N 0 0 519.564 5.373 50 10 KKCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000101462874 554779577 /nfs/dbraw/zinc/77/95/77/554779577.db2.gz PBMPHHQQIFCJDC-MQFCAXDBSA-N 0 0 597.549 7.231 50 10 KKCARN 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COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000102896754 555136831 /nfs/dbraw/zinc/13/68/31/555136831.db2.gz OQSQTQWZVGEJLS-SLGZMBILSA-N 0 0 599.639 5.945 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000102896897 555137188 /nfs/dbraw/zinc/13/71/88/555137188.db2.gz PZOLZTXIMPXAJR-XWHIBYANSA-N 0 0 590.075 6.982 50 10 KKCARN CCOC(=O)c1c(Cc2ccc3c(c2)OCO3)c(C)sc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000102927617 555152392 /nfs/dbraw/zinc/15/23/92/555152392.db2.gz XROATOBDASEIEU-UHFFFAOYSA-N 0 0 611.628 5.124 50 10 KKCARN COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000103019018 555210783 /nfs/dbraw/zinc/21/07/83/555210783.db2.gz TUSBNAZTENHWPG-XDAJTCOGSA-N 0 0 568.095 5.164 50 10 KKCARN Cc1cc(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1-c1cccc(Br)c1 ZINC000103059509 555239644 /nfs/dbraw/zinc/23/96/44/555239644.db2.gz 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/nfs/dbraw/zinc/35/86/50/555358650.db2.gz AMGYULGBZQVLEE-JMIUGGIZSA-N 0 0 513.940 6.355 50 10 KKCARN COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4ccc(C(=O)N5CCCC5)cc4)n3)CC2)cc1 ZINC000103401333 555386952 /nfs/dbraw/zinc/38/69/52/555386952.db2.gz PJHNOZAMBKDTDS-UHFFFAOYSA-N 0 0 545.753 5.638 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103429641 555412054 /nfs/dbraw/zinc/41/20/54/555412054.db2.gz WZMPUIUZAIHNNE-XKZIYDEJSA-N 0 0 523.548 6.100 50 10 KKCARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1cc(N(CC)CC)ccc1CN(C(=O)Nc1ccccc1OC)C(C)C ZINC000103429731 555412236 /nfs/dbraw/zinc/41/22/36/555412236.db2.gz QMRCWPFGSZPFNO-UHFFFAOYSA-N 0 0 625.788 6.709 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103430183 555412600 /nfs/dbraw/zinc/41/26/00/555412600.db2.gz PXCUYTBEBJFMPF-KSEXSDGBSA-N 0 0 584.468 8.396 50 10 KKCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103431544 555413538 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COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000103534654 555434792 /nfs/dbraw/zinc/43/47/92/555434792.db2.gz CKKLTSSHNXLBGN-IDZRBWSNSA-N 0 0 546.022 6.665 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103539552 555437794 /nfs/dbraw/zinc/43/77/94/555437794.db2.gz NVNLQRXPNDOAIB-JFHPUIQFSA-N 0 0 586.600 5.928 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103539793 555437855 /nfs/dbraw/zinc/43/78/55/555437855.db2.gz XGFQQEFJPARAQM-IDZRBWSNSA-N 0 0 556.574 5.920 50 10 KKCARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103539559 555437874 /nfs/dbraw/zinc/43/78/74/555437874.db2.gz NVNLQRXPNDOAIB-OLUZHXLYSA-N 0 0 586.600 5.928 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103541415 555438724 /nfs/dbraw/zinc/43/87/24/555438724.db2.gz KOSLSNNEURTIQT-IDZRBWSNSA-N 0 0 556.574 5.920 50 10 KKCARN CN(C)c1ccc([C@@]2([C@@]3(c4ccc(N(C)C)cc4)C(=O)c4ccc(Cl)cc4C3=O)C(=O)c3ccc(Cl)cc3C2=O)cc1 ZINC000103543574 555439641 /nfs/dbraw/zinc/43/96/41/555439641.db2.gz DHHOGISTGVORPE-AQOUDTPCSA-N 0 0 597.498 6.460 50 10 KKCARN COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000103546859 555440950 /nfs/dbraw/zinc/44/09/50/555440950.db2.gz AKPWKQQWCCUHAQ-OCBJUFRSSA-N 0 0 559.593 6.159 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4cc(Cl)ccc4N32)c1 ZINC000103551784 555444152 /nfs/dbraw/zinc/44/41/52/555444152.db2.gz QKUVWIQDDCISFS-OCBJUFRSSA-N 0 0 564.012 6.804 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000103551900 555444154 /nfs/dbraw/zinc/44/41/54/555444154.db2.gz IASXYPYXBIAHRU-CHQNGUEUSA-N 0 0 560.049 6.973 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103552421 555444531 /nfs/dbraw/zinc/44/45/31/555444531.db2.gz GNHRCODOBKECND-NLDZOOGBSA-N 0 0 560.993 6.565 50 10 KKCARN COc1cccc([C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 ZINC000103553685 555445147 /nfs/dbraw/zinc/44/51/47/555445147.db2.gz VLOVLBXJHQXPEU-CKOYEXALSA-N 0 0 567.685 7.210 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000103553520 555445199 /nfs/dbraw/zinc/44/51/99/555445199.db2.gz MBDBXPOEOAQUPJ-MPFGFTFXSA-N 0 0 582.077 6.735 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000103557243 555446616 /nfs/dbraw/zinc/44/66/16/555446616.db2.gz LISIWFDMJWZKNI-HPUNYJORSA-N 0 0 551.429 6.799 50 10 KKCARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(N(C)C)cc1)N1c3ccccc3NC(=Nc3ccc(Br)cc3)C1=N2 ZINC000103562046 555449540 /nfs/dbraw/zinc/44/95/40/555449540.db2.gz WIISONYLIQKIHW-WJOKGBTCSA-N 0 0 616.567 8.113 50 10 KKCARN O=C(c1ccccc1)c1cc(Cl)ccc1NC=C1N=C(C(F)(F)F)N(c2nc3ccccc3s2)C1=O ZINC000103585695 555451869 /nfs/dbraw/zinc/45/18/69/555451869.db2.gz QUGCVGWTLKRHOH-CPNJWEJPSA-N 0 0 526.927 6.442 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000103596549 555453637 /nfs/dbraw/zinc/45/36/37/555453637.db2.gz PLZBWVLMIFXRAT-YVBHXKDBSA-N 0 0 622.574 5.750 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Br)cc1)C1(C(=O)c3ccccc3C1=O)N(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000169314900 562855745 /nfs/dbraw/zinc/85/57/45/562855745.db2.gz GVYJEWXRTMQIEE-ZWXJPIIXSA-N 0 0 717.413 8.440 50 10 KKCARN O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000103860647 571367513 /nfs/dbraw/zinc/36/75/13/571367513.db2.gz FZRXPRDBMCHFGR-RQZCQDPDSA-N 0 0 515.740 5.729 50 10 KKCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000103958214 571370450 /nfs/dbraw/zinc/37/04/50/571370450.db2.gz AESLTKGMPALITK-STZFKDTASA-N 0 0 540.460 6.391 50 10 KKCARN O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 ZINC000104071692 571372194 /nfs/dbraw/zinc/37/21/94/571372194.db2.gz CAFHKVPKLXHPRQ-AWCRTANDSA-N 0 0 567.538 7.161 50 10 KKCARN COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4ccc(F)cc4)[C@@H]3C2)cc1 ZINC000104919658 571387786 /nfs/dbraw/zinc/38/77/86/571387786.db2.gz ARSNADAFFCQCDF-RSXGOPAZSA-N 0 0 513.535 5.037 50 10 KKCARN O=C(c1ccccc1I)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000105508490 571406785 /nfs/dbraw/zinc/40/67/85/571406785.db2.gz UXALUKRAGSHJOU-NTEUORMPSA-N 0 0 530.206 5.095 50 10 KKCARN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000105979291 571409699 /nfs/dbraw/zinc/40/96/99/571409699.db2.gz FDPMJEYBJPYLSX-LPYMAVHISA-N 0 0 576.481 5.835 50 10 KKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000105979295 571409733 /nfs/dbraw/zinc/40/97/33/571409733.db2.gz YDHIXUOBWCHTSP-PKAZHMFMSA-N 0 0 606.563 7.994 50 10 KKCARN Cc1ccc2c(c1)N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccccc1 ZINC000106014385 571410312 /nfs/dbraw/zinc/41/03/12/571410312.db2.gz TUAFMTOXWOQTQN-NGDRWEMDSA-N 0 0 564.468 7.618 50 10 KKCARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 ZINC000106020614 571410853 /nfs/dbraw/zinc/41/08/53/571410853.db2.gz FNOTUXMHJCMXSH-FUWNPBJGSA-N 0 0 569.613 5.937 50 10 KKCARN O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000107178956 571419843 /nfs/dbraw/zinc/41/98/43/571419843.db2.gz JCQQXKPXIBFDRH-WENCSYSZSA-N 0 0 531.475 7.230 50 10 KKCARN Cc1ncsc1C(=O)N1N=C2/C(=C\c3ccc(N4CCOCC4)cc3)CCC[C@@H]2[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000110974269 571431910 /nfs/dbraw/zinc/43/19/10/571431910.db2.gz SEZBQIVMXUPAFS-XGHINSSWSA-N 0 0 583.758 5.562 50 10 KKCARN COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC[C@H](C)COc1ccccc1 ZINC000137533319 571450481 /nfs/dbraw/zinc/45/04/81/571450481.db2.gz CVIMUOAWSBZZMP-WMEFYXPRSA-N 0 0 525.630 6.093 50 10 KKCARN COc1cc(NC(=O)[C@H](N=Nc2ccc(-c3ccc(N=N[C@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348891 571461298 /nfs/dbraw/zinc/46/12/98/571461298.db2.gz CTCGHGAGCLXAHB-UZTGCPOJSA-N 0 0 752.055 9.308 50 10 KKCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)cc(C)c3N(C(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)C(C)(C)C2=S)S1 ZINC000150358974 571463598 /nfs/dbraw/zinc/46/35/98/571463598.db2.gz QWYXZYXANQSBSA-VWLOTQADSA-N 0 0 712.871 6.412 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150364217 571464423 /nfs/dbraw/zinc/46/44/23/571464423.db2.gz HKAYRHDTCPBZNS-DFONMQJTSA-N 0 0 674.222 7.158 50 10 KKCARN CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000150385698 571468993 /nfs/dbraw/zinc/46/89/93/571468993.db2.gz OHCGBKPZENUGIY-VIZOYTHASA-N 0 0 672.145 6.463 50 10 KKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150389241 571471675 /nfs/dbraw/zinc/47/16/75/571471675.db2.gz XSLCSKLNGHYMGX-SSDVNMTOSA-N 0 0 670.909 7.375 50 10 KKCARN COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1OC ZINC000150400628 571477989 /nfs/dbraw/zinc/47/79/89/571477989.db2.gz UCLSPXOSAJWTSE-HWIUFGAZSA-N 0 0 668.240 8.233 50 10 KKCARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150407127 571480024 /nfs/dbraw/zinc/48/00/24/571480024.db2.gz DUFBWWIEBHYTLF-USDTVRPUSA-N 0 0 697.051 5.868 50 10 KKCARN Cc1cc(C(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000150412434 571484448 /nfs/dbraw/zinc/48/44/48/571484448.db2.gz KUMQGXGCDZAKST-UHFFFAOYSA-N 0 0 640.628 8.568 50 10 KKCARN COC(=O)c1ccc(Nc2cc(N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000150418435 571486414 /nfs/dbraw/zinc/48/64/14/571486414.db2.gz WNAFWFAPJANEGW-UHFFFAOYSA-N 0 0 634.689 5.917 50 10 KKCARN COc1cc(Nc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC ZINC000150419240 571486798 /nfs/dbraw/zinc/48/67/98/571486798.db2.gz ZQPYHEIXRLRHJL-UHFFFAOYSA-N 0 0 630.623 7.154 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)S/C(=C2\c3cc(OCC)ccc3N(C(=O)c3cccc([N+](=O)[O-])c3)C(C)(C)C2=S)S1 ZINC000150425258 571489765 /nfs/dbraw/zinc/48/97/65/571489765.db2.gz YKNBJSWTTPSXML-GDWJVWIDSA-N 0 0 632.785 7.883 50 10 KKCARN Nc1c(C(=O)c2ccc(OC(F)F)cc2)sc(Nc2ccc(OC(F)F)cc2)c1-c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000150431120 571493463 /nfs/dbraw/zinc/49/34/63/571493463.db2.gz GNGULMOMJAILEZ-UHFFFAOYSA-N 0 0 654.646 6.592 50 10 KKCARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000150434150 571494751 /nfs/dbraw/zinc/49/47/51/571494751.db2.gz AYHLZAYHYSWFIW-MDNSZFDISA-N 0 0 647.866 7.452 50 10 KKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000150455506 571504311 /nfs/dbraw/zinc/50/43/11/571504311.db2.gz WZFRSCBZIQMCKZ-MGKZEPQOSA-N 0 0 632.524 6.084 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000150474017 571510370 /nfs/dbraw/zinc/51/03/70/571510370.db2.gz VQQQAEBHUOQRJB-AJQTZOPKSA-N 0 0 649.615 6.732 50 10 KKCARN COc1ccc(-n2c(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000150497575 571518218 /nfs/dbraw/zinc/51/82/18/571518218.db2.gz VGBNHXUNEICFCB-UHFFFAOYSA-N 0 0 651.179 8.878 50 10 KKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1Br ZINC000150606649 571522638 /nfs/dbraw/zinc/52/26/38/571522638.db2.gz QWYOBQBLDRMPMT-OEAKJJBVSA-N 0 0 625.957 6.510 50 10 KKCARN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Oc1cc2sc(=O)oc2c(-c2ccc(Br)cc2)c1 ZINC000150655357 571526597 /nfs/dbraw/zinc/52/65/97/571526597.db2.gz HRIKWYBAMULYBA-NHDPSOOVSA-N 0 0 616.511 6.620 50 10 KKCARN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000169683223 571558074 /nfs/dbraw/zinc/55/80/74/571558074.db2.gz OVBFUOZKUTWIPE-PWRODBHTSA-N 0 0 525.866 5.054 50 10 KKCARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000207656053 571573211 /nfs/dbraw/zinc/57/32/11/571573211.db2.gz WHFSAJMAXOLADR-HMQSQOOHSA-N 0 0 608.561 5.112 50 10 KKCARN O=C1c2ccccc2C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)C1(C(=O)c3ccccc3C1=O)N(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000224675905 571601078 /nfs/dbraw/zinc/60/10/78/571601078.db2.gz VQQQAEBHUOQRJB-ZWXJPIIXSA-N 0 0 649.615 6.732 50 10 KKCARN CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2c1C(=NNc1ccccc1)C(=O)C(Br)=C2 ZINC000261490735 572109540 /nfs/dbraw/zinc/10/95/40/572109540.db2.gz ABSSBUWCRBQPIT-BYYHNAKLSA-N 0 0 512.791 7.653 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227027954 572147953 /nfs/dbraw/zinc/14/79/53/572147953.db2.gz LHPFYTCUCVSCOV-GSDHBNRESA-N 0 0 564.003 7.407 50 10 KKCARN O=C(c1ccccc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N21 ZINC000227066674 572148912 /nfs/dbraw/zinc/14/89/12/572148912.db2.gz MIUULNHRMXJTIG-KCHLEUMXSA-N 0 0 561.435 6.160 50 10 KKCARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000227083437 572149858 /nfs/dbraw/zinc/14/98/58/572149858.db2.gz WOTFNLWOXQSANK-RWSKJCERSA-N 0 0 607.584 6.947 50 10 KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000227237878 572151640 /nfs/dbraw/zinc/15/16/40/572151640.db2.gz PFDFOMFRJAVKCA-AWCRTANDSA-N 0 0 551.976 6.935 50 10 KKCARN CC(=O)Oc1cccc2c1N1[C@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000227235652 572151743 /nfs/dbraw/zinc/15/17/43/572151743.db2.gz MSOISGVNYRETKW-ATNBEAFSSA-N 0 0 618.483 6.691 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227240729 572152112 /nfs/dbraw/zinc/15/21/12/572152112.db2.gz YDYHRBAJFZULDI-QAXCHELISA-N 0 0 589.619 6.168 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227244080 572152702 /nfs/dbraw/zinc/15/27/02/572152702.db2.gz DCSGPQSKPVQVDX-CPCREDONSA-N 0 0 589.619 6.168 50 10 KKCARN O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000227243314 572152860 /nfs/dbraw/zinc/15/28/60/572152860.db2.gz MVBUKRLFWCHORB-VJGNERBWSA-N 0 0 555.577 7.083 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)c1 ZINC000227244831 572152987 /nfs/dbraw/zinc/15/29/87/572152987.db2.gz VUTKKSIWHNHNCC-QAXCHELISA-N 0 0 589.619 6.168 50 10 KKCARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000334163537 572154856 /nfs/dbraw/zinc/15/48/56/572154856.db2.gz WFISUPAKBKJDOQ-ZPGRZCPFSA-N 0 0 573.696 7.669 50 10 KKCARN CC(=O)Nc1cccc2c1C=C[C@@H]1N2[C@@H](C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C12C(=O)c1ccccc1C2=O ZINC000229603274 572155127 /nfs/dbraw/zinc/15/51/27/572155127.db2.gz PWNZHMGUKNBWCA-VJGNERBWSA-N 0 0 544.529 5.686 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229613775 572156346 /nfs/dbraw/zinc/15/63/46/572156346.db2.gz PBDXHYMPLMNADN-GSDHBNRESA-N 0 0 530.451 7.042 50 10 KKCARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N32)cc1 ZINC000229650916 572159014 /nfs/dbraw/zinc/15/90/14/572159014.db2.gz RPGAGWDVVYGSRA-QAXCHELISA-N 0 0 589.619 6.168 50 10 KKCARN COc1cccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(C)ccc4N32)c1 ZINC000229861907 572162093 /nfs/dbraw/zinc/16/20/93/572162093.db2.gz HVLZVYCRRNOOAG-QAXCHELISA-N 0 0 585.656 6.337 50 10 KKCARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000229865292 572162327 /nfs/dbraw/zinc/16/23/27/572162327.db2.gz SQSAJDOXKVJWGV-GSDHBNRESA-N 0 0 585.454 6.406 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000229863901 572162509 /nfs/dbraw/zinc/16/25/09/572162509.db2.gz RKPXTWXRZURGIQ-JBOQNHBVSA-N 0 0 575.020 6.873 50 10 KKCARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc6oc(=O)cc(-c7ccccc7)c6cc5Cl)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000229869121 572163391 /nfs/dbraw/zinc/16/33/91/572163391.db2.gz XTMLICIYPNABCR-SXSYGPDASA-N 0 0 713.399 11.836 50 10 biogenic KKCARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21 ZINC000229871299 572163709 /nfs/dbraw/zinc/16/37/09/572163709.db2.gz YIEICXSUEIMIKC-HPUNYJORSA-N 0 0 595.880 6.908 50 10 KKCARN COc1cccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC ZINC000229888351 572165221 /nfs/dbraw/zinc/16/52/21/572165221.db2.gz IQFSCGIHGAVKRT-OIFRRMEBSA-N 0 0 594.038 6.813 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC ZINC000229891583 572165558 /nfs/dbraw/zinc/16/55/58/572165558.db2.gz QQFBTAGDOYIDAD-OJDZSJEKSA-N 0 0 576.048 6.674 50 10 KKCARN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000229890185 572165679 /nfs/dbraw/zinc/16/56/79/572165679.db2.gz NVUZOETXXCYRCX-DCMFLLSESA-N 0 0 555.630 6.329 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(Cl)ccc4N23)cc1 ZINC000229897187 572166477 /nfs/dbraw/zinc/16/64/77/572166477.db2.gz XQOBKQAMYHMHKR-JBOQNHBVSA-N 0 0 548.013 7.104 50 10 KKCARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4cc(F)ccc4N23)cc1 ZINC000229896093 572166600 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