smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000728557498 1069849768 /nfs/dbraw/zinc/84/97/68/1069849768.db2.gz CKZRODUHNSFVRN-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)Nc2ccccc2F)cc1 ZINC000024077789 1070951878 /nfs/dbraw/zinc/95/18/78/1070951878.db2.gz HVNGXPZHILOHPC-UHFFFAOYSA-O 1 0 500.457 6.830 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(NC(=O)C(C)C)cc2)C(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000027085831 1071050806 /nfs/dbraw/zinc/05/08/06/1071050806.db2.gz OOULOEARWWQGOR-UHFFFAOYSA-O 1 0 500.566 5.947 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cccc(C(F)(F)F)c2)[n+]2ccc(C)cc2)cc1 ZINC000027078060 1071050857 /nfs/dbraw/zinc/05/08/57/1071050857.db2.gz OJXCLARWQOPFFH-UHFFFAOYSA-O 1 0 500.566 5.031 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(NC(=O)C(C)C)cc2)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000027078041 1071050864 /nfs/dbraw/zinc/05/08/64/1071050864.db2.gz DGYMNYWXIPTDEI-UHFFFAOYSA-O 1 0 500.566 5.947 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000027205542 1071051835 /nfs/dbraw/zinc/05/18/35/1071051835.db2.gz FIXJVHSEWUIGDU-UHFFFAOYSA-O 1 0 500.471 6.564 20 0 KKADRO C[N@H+](Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1CCCCC1 ZINC000514403074 1071110818 /nfs/dbraw/zinc/11/08/18/1071110818.db2.gz QWMZLJNTGSWZCC-UHFFFAOYSA-N 1 0 537.648 5.509 20 0 KKADRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccc(CC)cc2)c1C ZINC000917610451 1071196145 /nfs/dbraw/zinc/19/61/45/1071196145.db2.gz PILXIADQCOSKAI-UHFFFAOYSA-O 1 0 500.644 5.981 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000917610539 1071196238 /nfs/dbraw/zinc/19/62/38/1071196238.db2.gz TZJCERUDPXLDHF-NRFANRHFSA-O 1 0 500.688 5.960 20 0 KKADRO O=C(c1ccc(Cl)s1)C(C(=S)Nc1ccc2c(c1)OCCCO2)[n+]1ccc2c(c1)CCCC2 ZINC000727416079 1071278498 /nfs/dbraw/zinc/27/84/98/1071278498.db2.gz XQXWKJYEQSUAMG-UHFFFAOYSA-O 1 0 500.065 6.052 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)Nc1ccc(Cl)nc1 ZINC000727159582 1071278622 /nfs/dbraw/zinc/27/86/22/1071278622.db2.gz KYELJFHEGJXZRI-UHFFFAOYSA-O 1 0 500.069 5.589 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728040465 1071279337 /nfs/dbraw/zinc/27/93/37/1071279337.db2.gz ILLIFNYPYLSDBG-SFHVURJKSA-O 1 0 500.644 5.458 20 0 KKADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728043748 1071280040 /nfs/dbraw/zinc/28/00/40/1071280040.db2.gz WWBMBDJMUAOJSG-IBGZPJMESA-O 1 0 500.644 5.512 20 0 KKADRO O=C(c1ccc2c(c1)COC2)C(C(=S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1 ZINC000746020583 1071288823 /nfs/dbraw/zinc/28/88/23/1071288823.db2.gz HWSDVGGESZOLOL-UHFFFAOYSA-O 1 0 500.043 6.572 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)Nc2ccc(SC(F)F)cc2)cc1 ZINC000746018577 1071288895 /nfs/dbraw/zinc/28/88/95/1071288895.db2.gz UMTWAQWYFMGVOC-UHFFFAOYSA-O 1 0 500.616 5.188 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000746020809 1071289058 /nfs/dbraw/zinc/28/90/58/1071289058.db2.gz NUSUQZPWJITVCB-UHFFFAOYSA-O 1 0 500.471 6.932 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(OC)c(Cl)c2)C(=S)Nc2cc(C)ccc2F)cc1 ZINC000744115101 1071289073 /nfs/dbraw/zinc/28/90/73/1071289073.db2.gz LZRZBWBBIPFWKW-UHFFFAOYSA-O 1 0 500.059 7.311 20 0 KKADRO CN(CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000726571037 1072908675 /nfs/dbraw/zinc/90/86/75/1072908675.db2.gz CNPGLTVCGGYCPP-UHFFFAOYSA-O 1 0 500.732 6.088 20 0 KKADRO CN(CCCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc2c(c1)CCCC2)c1ccccc1 ZINC000726572298 1072909088 /nfs/dbraw/zinc/90/90/88/1072909088.db2.gz XRJNKGJORNCTDZ-UHFFFAOYSA-O 1 0 500.688 5.210 20 0 KKADRO O=C(c1cc2ccccc2o1)C(C(=S)NCCc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1 ZINC000726573199 1072909504 /nfs/dbraw/zinc/90/95/04/1072909504.db2.gz QJFWCBHMUAWMDZ-UHFFFAOYSA-O 1 0 500.427 5.563 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726573261 1072909563 /nfs/dbraw/zinc/90/95/63/1072909563.db2.gz UVJPIRKDOJRTNT-UHFFFAOYSA-O 1 0 500.515 6.831 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)c1 ZINC000726572804 1072909885 /nfs/dbraw/zinc/90/98/85/1072909885.db2.gz GEGRIKWPPXZFAN-UHFFFAOYSA-O 1 0 500.515 6.831 20 0 KKADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2cccc(Br)c2)[n+]2ccccc2)c1 ZINC000726964512 1072910512 /nfs/dbraw/zinc/91/05/12/1072910512.db2.gz ZKBDOIFMEYGPOV-UHFFFAOYSA-O 1 0 500.438 5.857 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)(C)C)cc1)C(=S)Nc1c(Cl)ccc(C)c1Cl ZINC000728557451 1069849658 /nfs/dbraw/zinc/84/96/58/1069849658.db2.gz BILPYKINUNPXPU-UHFFFAOYSA-O 1 0 500.515 7.773 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(NC(=O)C(C)C)cc2)C(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000027078024 1071050740 /nfs/dbraw/zinc/05/07/40/1071050740.db2.gz VXFOFCRPVWYMGN-UHFFFAOYSA-O 1 0 500.566 5.947 20 0 KKADRO Cc1cccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027173147 1071051319 /nfs/dbraw/zinc/05/13/19/1071051319.db2.gz IWYJQAHDQIVMDO-UHFFFAOYSA-O 1 0 500.688 6.197 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027178078 1071051825 /nfs/dbraw/zinc/05/18/25/1071051825.db2.gz JTYXAXIGTIZGIH-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO CC(=O)N(c1nc(CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)cs1)c1ccccc1F ZINC000514291945 1071092745 /nfs/dbraw/zinc/09/27/45/1071092745.db2.gz KPKGXAXMTNJMAA-UHFFFAOYSA-N 1 0 553.729 6.088 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000912832012 1071178812 /nfs/dbraw/zinc/17/88/12/1071178812.db2.gz BJTDNDCVBNOTJD-UHFFFAOYSA-O 1 0 500.688 6.284 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)Nc2cccc(NC(C)=O)c2)cc1 ZINC000913141500 1071179551 /nfs/dbraw/zinc/17/95/51/1071179551.db2.gz YBJWJVSQJMGYSY-UHFFFAOYSA-O 1 0 500.644 6.906 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000916203130 1071193323 /nfs/dbraw/zinc/19/33/23/1071193323.db2.gz XMEGKIDIHRNVIH-UHFFFAOYSA-O 1 0 500.610 6.160 20 0 KKADRO Cc1c(Cl)cccc1NC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cccc(CO)c1 ZINC000917606922 1071195642 /nfs/dbraw/zinc/19/56/42/1071195642.db2.gz JJFHJYHTJYQMCU-UHFFFAOYSA-O 1 0 500.043 6.323 20 0 KKADRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccc(CC)cc2)c1C ZINC000917610866 1071196100 /nfs/dbraw/zinc/19/61/00/1071196100.db2.gz XMQXDOVWFXUOLB-UHFFFAOYSA-O 1 0 500.644 6.410 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000917610592 1071196242 /nfs/dbraw/zinc/19/62/42/1071196242.db2.gz VXVXCTSFNAVLMZ-NRFANRHFSA-O 1 0 500.688 5.960 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(N3CCCC3=O)cc2)C(=S)Nc2cccc(C(C)C)c2)cc1 ZINC000917614413 1071197017 /nfs/dbraw/zinc/19/70/17/1071197017.db2.gz VJBQFEZZTONJAC-UHFFFAOYSA-O 1 0 500.688 6.500 20 0 KKADRO CCc1c(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000920397897 1071204940 /nfs/dbraw/zinc/20/49/40/1071204940.db2.gz YVAZOLJSEMIXDT-UHFFFAOYSA-O 1 0 500.547 5.329 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)c(SC)c2)C(=S)Nc2ccc(Cl)nc2)cc1 ZINC000727159031 1071278487 /nfs/dbraw/zinc/27/84/87/1071278487.db2.gz BBIHVWLRTUIUJA-UHFFFAOYSA-O 1 0 500.069 5.589 20 0 KKADRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc(Cl)nc2)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000727159475 1071278578 /nfs/dbraw/zinc/27/85/78/1071278578.db2.gz GDJLCIYJQJYPGQ-UHFFFAOYSA-O 1 0 500.044 5.222 20 0 KKADRO Cc1ccc(F)c(NC(=S)C(C(=O)c2ccc(Br)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000744117423 1071288848 /nfs/dbraw/zinc/28/88/48/1071288848.db2.gz XDJICCYJOYGDOF-UHFFFAOYSA-O 1 0 500.457 6.805 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000746021186 1071288877 /nfs/dbraw/zinc/28/88/77/1071288877.db2.gz SLPYGKZEFMWRNW-UHFFFAOYSA-O 1 0 500.471 6.932 20 0 KKADRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569106 1072907578 /nfs/dbraw/zinc/90/75/78/1072907578.db2.gz APXPOSXVOROMGC-HXUWFJFHSA-O 1 0 500.515 7.385 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000726569218 1072907662 /nfs/dbraw/zinc/90/76/62/1072907662.db2.gz CLUJYOKNCAGNFO-INIZCTEOSA-O 1 0 500.471 6.340 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726570611 1072908550 /nfs/dbraw/zinc/90/85/50/1072908550.db2.gz PDADDHVIVZBNKT-GFCCVEGCSA-O 1 0 500.880 6.050 20 0 KKADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccc(OC)c(Cl)c2)[n+]2cccc(C)c2)c1 ZINC000726964510 1072910375 /nfs/dbraw/zinc/91/03/75/1072910375.db2.gz ZJMLZLMSXSAZJR-UHFFFAOYSA-O 1 0 500.040 6.065 20 0 KKADRO Cc1cc(Cl)ccc1-c1nnc([C@H](Cc2ccccc2)NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC001217747282 1072914700 /nfs/dbraw/zinc/91/47/00/1072914700.db2.gz CITLHAGXMPHTAQ-ZCYQVOJMSA-N 1 0 500.002 5.150 20 0 KKADRO CC[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1)[NH+]1CCCC1 ZINC000043204176 1069679399 /nfs/dbraw/zinc/67/93/99/1069679399.db2.gz GNSVFEJLUPMLCZ-IXCJQBJRSA-N 1 0 616.634 5.764 20 0 KKADRO COc1ccc(C(=O)C(C(=S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000728558451 1069849744 /nfs/dbraw/zinc/84/97/44/1069849744.db2.gz LAXANJWXIGMZIF-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2Br)C(=S)Nc2ccccc2F)cc1 ZINC000024077795 1070951896 /nfs/dbraw/zinc/95/18/96/1070951896.db2.gz PTZDVIJLMWBZRN-UHFFFAOYSA-O 1 0 500.457 6.830 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000027087158 1071051242 /nfs/dbraw/zinc/05/12/42/1071051242.db2.gz NCMOANFXJJZGQW-UHFFFAOYSA-O 1 0 500.471 6.564 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(N3CCCC3=O)cc2)C(=S)Nc2ccccc2C)cc1 ZINC000027092846 1071051266 /nfs/dbraw/zinc/05/12/66/1071051266.db2.gz QIQYGMHFVHOCMJ-UHFFFAOYSA-O 1 0 500.688 6.364 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c(C)c1 ZINC000027176551 1071051295 /nfs/dbraw/zinc/05/12/95/1071051295.db2.gz XQDZNBMMRXVCAH-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027174777 1071051364 /nfs/dbraw/zinc/05/13/64/1071051364.db2.gz AHINEAIAEIQQSM-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000027185362 1071052052 /nfs/dbraw/zinc/05/20/52/1071052052.db2.gz VRVZMIZJXYCJSH-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000027313034 1071052426 /nfs/dbraw/zinc/05/24/26/1071052426.db2.gz IVWOIVINDYUEGY-UHFFFAOYSA-O 1 0 500.015 6.450 20 0 KKADRO CC(C)C(=O)Nc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027304392 1071052443 /nfs/dbraw/zinc/05/24/43/1071052443.db2.gz OBNVQEWSHRAGGM-UHFFFAOYSA-O 1 0 500.688 5.219 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(CNC(C)=O)s2)C(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000027484093 1071053300 /nfs/dbraw/zinc/05/33/00/1071053300.db2.gz DZYLAHPPAPSGKD-WZONZLPQSA-O 1 0 500.754 5.682 20 0 KKADRO Clc1ccc2nc(CNCc3cn(Cc4ccccc4)nc3-c3ccc4c(c3)OCCCO4)cn2c1 ZINC000518768054 1071120976 /nfs/dbraw/zinc/12/09/76/1071120976.db2.gz AYUMLSGNFVDXQE-UHFFFAOYSA-N 1 0 500.002 5.351 20 0 KKADRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000912825156 1071178667 /nfs/dbraw/zinc/17/86/67/1071178667.db2.gz ILPDRMXEOXMMHM-UHFFFAOYSA-O 1 0 500.043 6.477 20 0 KKADRO COc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000912828200 1071178840 /nfs/dbraw/zinc/17/88/40/1071178840.db2.gz AGIYGVMRNRFUQF-UHFFFAOYSA-O 1 0 500.644 5.312 20 0 KKADRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000913141144 1071179578 /nfs/dbraw/zinc/17/95/78/1071179578.db2.gz FVJDILKCOKENMH-UHFFFAOYSA-O 1 0 500.688 6.432 20 0 KKADRO COc1ccc(CNC(=S)C(C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000916203105 1071193309 /nfs/dbraw/zinc/19/33/09/1071193309.db2.gz VFJRBIUXNBBKFM-UHFFFAOYSA-O 1 0 500.471 6.169 20 0 KKADRO O=C(c1ccccc1Br)C(C(=S)Nc1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000916204121 1071194183 /nfs/dbraw/zinc/19/41/83/1071194183.db2.gz NXZQPBLREKDUMT-UHFFFAOYSA-O 1 0 500.869 6.592 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C(=S)Nc2ccc(F)cc2F)cc1 ZINC000917606890 1071195601 /nfs/dbraw/zinc/19/56/01/1071195601.db2.gz IBSWWIKLPAGZGI-UHFFFAOYSA-O 1 0 500.594 5.693 20 0 KKADRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccccc2CC)c1C ZINC000917609590 1071196175 /nfs/dbraw/zinc/19/61/75/1071196175.db2.gz BSLRQSDKLGDWAR-UHFFFAOYSA-O 1 0 500.644 5.981 20 0 KKADRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2ccc(CC(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000917609535 1071196249 /nfs/dbraw/zinc/19/62/49/1071196249.db2.gz ZRASXVNTIIXWAB-UHFFFAOYSA-O 1 0 500.688 6.333 20 0 KKADRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)[n+]1cccc([O-])c1 ZINC000920397293 1071204211 /nfs/dbraw/zinc/20/42/11/1071204211.db2.gz SKVCXTLYODXMML-UHFFFAOYSA-O 1 0 500.688 5.024 20 0 KKADRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1 ZINC000028780826 1071215296 /nfs/dbraw/zinc/21/52/96/1071215296.db2.gz MNGDKBPCQFTMQR-UHFFFAOYSA-O 1 0 500.556 5.218 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000728040086 1071279304 /nfs/dbraw/zinc/27/93/04/1071279304.db2.gz FHNZMAYZVCNYBO-IBGZPJMESA-O 1 0 500.644 5.512 20 0 KKADRO O=C(c1ccc(Cl)cc1Cl)C(C(=S)NC1CCOCC1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000727814475 1071279322 /nfs/dbraw/zinc/27/93/22/1071279322.db2.gz WIMPPJQFGDOEQD-UHFFFAOYSA-O 1 0 500.471 5.852 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000728041461 1071279401 /nfs/dbraw/zinc/27/94/01/1071279401.db2.gz PXDMJAMFGXZLPS-HNNXBMFYSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000728043443 1071279924 /nfs/dbraw/zinc/27/99/24/1071279924.db2.gz UVLZGYZKBWVSSC-OAHLLOKOSA-O 1 0 500.522 5.344 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2ccccc2-c2ccccc2)[n+]2ccc(C)cc2)s1 ZINC000725764179 1072907118 /nfs/dbraw/zinc/90/71/18/1072907118.db2.gz SIECCIBWDVBMHG-UHFFFAOYSA-O 1 0 500.669 5.970 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)Nc2cnn(CC)c2)cc1 ZINC000726180220 1072907192 /nfs/dbraw/zinc/90/71/92/1072907192.db2.gz YBXFPQPCYWGIKL-UHFFFAOYSA-O 1 0 500.486 6.180 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(CC)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570314 1072908052 /nfs/dbraw/zinc/90/80/52/1072908052.db2.gz LKCZPPZIIJDWRW-SFHVURJKSA-O 1 0 500.515 7.358 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(CC)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570313 1072908101 /nfs/dbraw/zinc/90/81/01/1072908101.db2.gz LKCZPPZIIJDWRW-GOSISDBHSA-O 1 0 500.515 7.358 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726571177 1072908627 /nfs/dbraw/zinc/90/86/27/1072908627.db2.gz SCGKLHQMIBULHO-GOSISDBHSA-O 1 0 500.515 7.449 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1cccc(Br)c1)C(=S)Nc1cc(OC)ccc1OC ZINC000726571662 1072909150 /nfs/dbraw/zinc/90/91/50/1072909150.db2.gz URNAEAHRAZWXBX-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572917 1072909948 /nfs/dbraw/zinc/90/99/48/1072909948.db2.gz KDDGRRUEQGUSCO-UHFFFAOYSA-O 1 0 500.515 6.812 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572934 1072910025 /nfs/dbraw/zinc/91/00/25/1072910025.db2.gz KTCIVQLZMZGRAA-UHFFFAOYSA-O 1 0 500.515 6.930 20 0 KKADRO CC(C)Oc1ccc(NC(=S)C(C(=O)c2ccccc2Br)[n+]2cccc(CO)c2)cc1 ZINC000726573709 1072910041 /nfs/dbraw/zinc/91/00/41/1072910041.db2.gz CBRTYDAYWIEQKG-UHFFFAOYSA-O 1 0 500.438 5.339 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572849 1072910047 /nfs/dbraw/zinc/91/00/47/1072910047.db2.gz HXQGJRROQSXYQM-UHFFFAOYSA-O 1 0 500.471 5.917 20 0 KKADRO COc1ccc(NC(=S)C(C(=O)c2ccc(OC)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1F ZINC000726574853 1072910061 /nfs/dbraw/zinc/91/00/61/1072910061.db2.gz VCTTYYLOQGSOEP-UHFFFAOYSA-O 1 0 500.015 5.986 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726580603 1072910421 /nfs/dbraw/zinc/91/04/21/1072910421.db2.gz QNLMTWQDUVATHJ-INIZCTEOSA-O 1 0 500.507 6.239 20 0 KKADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(NCc3ccccc3-n3cccn3)c21 ZINC001158116588 1072913017 /nfs/dbraw/zinc/91/30/17/1072913017.db2.gz HNWBAUXILFYMFT-UHFFFAOYSA-N 1 0 500.002 5.195 20 0 KKADRO Cc1ccc(Cl)c(NC(=S)C(C(=O)c2ccc3c(c2)CCCC3)[n+]2cccc(CO)c2)c1Cl ZINC000728559077 1069850060 /nfs/dbraw/zinc/85/00/60/1069850060.db2.gz XAXKGGKLZSABOZ-UHFFFAOYSA-O 1 0 500.471 6.284 20 0 KKADRO O=C(c1ccccc1Br)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000024078943 1070951096 /nfs/dbraw/zinc/95/10/96/1070951096.db2.gz BYBNZAAMBRCIIW-UHFFFAOYSA-O 1 0 500.869 6.320 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)Nc2ccccc2F)cc1 ZINC000024077775 1070951915 /nfs/dbraw/zinc/95/19/15/1070951915.db2.gz QWTXIBBTRFCCHU-UHFFFAOYSA-O 1 0 500.457 6.830 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027090601 1071051286 /nfs/dbraw/zinc/05/12/86/1071051286.db2.gz KODJRPKROKWSDW-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(N3CCCC3=O)cc2)C(=S)Nc2cccc(C)c2)cc1 ZINC000027172270 1071051902 /nfs/dbraw/zinc/05/19/02/1071051902.db2.gz YEQMNOVAAGMQMV-UHFFFAOYSA-O 1 0 500.688 6.364 20 0 KKADRO COc1ccc(C(=O)C(C(=S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)cc1Cl ZINC000027165009 1071051914 /nfs/dbraw/zinc/05/19/14/1071051914.db2.gz UYMOAHVNGKMEBT-UHFFFAOYSA-O 1 0 500.471 6.528 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027201620 1071051997 /nfs/dbraw/zinc/05/19/97/1071051997.db2.gz LNZIKGFDKBCXJX-UHFFFAOYSA-O 1 0 500.688 6.197 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)Nc2ccc(C)cc2)cc1 ZINC000912822122 1071178597 /nfs/dbraw/zinc/17/85/97/1071178597.db2.gz MWAKRPPWVXCPBC-UHFFFAOYSA-O 1 0 500.688 6.636 20 0 KKADRO CCc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000912828161 1071178743 /nfs/dbraw/zinc/17/87/43/1071178743.db2.gz UVKPEOQSGNPZCW-UHFFFAOYSA-O 1 0 500.688 6.284 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C ZINC000912792255 1071177774 /nfs/dbraw/zinc/17/77/74/1071177774.db2.gz XSOVQBSNSFFBBH-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)c(SC)c2)C(=S)Nc2ccc(F)cc2F)cc1 ZINC000917606968 1071195459 /nfs/dbraw/zinc/19/54/59/1071195459.db2.gz LNBMSXJNUFWLAV-UHFFFAOYSA-O 1 0 500.616 5.818 20 0 KKADRO CSc1cc(C(=O)C(C(=S)Nc2cccc3ccccc32)[n+]2ccc(C)cc2)ccc1NC(C)=O ZINC000917608159 1071195560 /nfs/dbraw/zinc/19/55/60/1071195560.db2.gz XOBRHRGCLKLAKK-UHFFFAOYSA-O 1 0 500.669 6.439 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C(=S)NCC(=O)N(C)C)cc1 ZINC000918733467 1071199998 /nfs/dbraw/zinc/19/99/98/1071199998.db2.gz OHYYXXMMEZXSQM-UHFFFAOYSA-O 1 0 500.688 5.338 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C(=S)Nc2ccc(Cl)nc2)cc1 ZINC000727159922 1071278587 /nfs/dbraw/zinc/27/85/87/1071278587.db2.gz OWZIYYAYLJCHKJ-UHFFFAOYSA-O 1 0 500.044 5.696 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570296 1072908148 /nfs/dbraw/zinc/90/81/48/1072908148.db2.gz KWLBBOHQSNMKOG-GOSISDBHSA-O 1 0 500.515 7.747 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726570613 1072909098 /nfs/dbraw/zinc/90/90/98/1072909098.db2.gz PDADDHVIVZBNKT-LBPRGKRZSA-O 1 0 500.880 6.050 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726571772 1072909116 /nfs/dbraw/zinc/90/91/16/1072909116.db2.gz XCSRKZNULCKBEO-HNNXBMFYSA-O 1 0 500.427 6.081 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726571775 1072909128 /nfs/dbraw/zinc/90/91/28/1072909128.db2.gz XCSRKZNULCKBEO-OAHLLOKOSA-O 1 0 500.427 6.081 20 0 KKADRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCCc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1 ZINC000726572811 1072910009 /nfs/dbraw/zinc/91/00/09/1072910009.db2.gz GLCNJTLWNGRGLQ-UHFFFAOYSA-O 1 0 500.471 5.305 20 0 KKADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccccc2Br)[n+]2ccccc2)c1 ZINC000726963435 1072910364 /nfs/dbraw/zinc/91/03/64/1072910364.db2.gz OLRRMTHFVYKANE-UHFFFAOYSA-O 1 0 500.438 5.857 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(OC)cc2OC)C(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000726961193 1072910545 /nfs/dbraw/zinc/91/05/45/1072910545.db2.gz DSMDTUNDPXTHLK-UHFFFAOYSA-O 1 0 500.040 5.929 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)NCCc2ccccc2)cc1 ZINC000839404123 1072911810 /nfs/dbraw/zinc/91/18/10/1072911810.db2.gz OTXCNEGJWJPAIQ-UHFFFAOYSA-O 1 0 500.515 7.228 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000728558445 1069849790 /nfs/dbraw/zinc/84/97/90/1069849790.db2.gz KUBVOVVFMLURNT-UHFFFAOYSA-O 1 0 500.471 6.895 20 0 KKADRO COc1ccccc1NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027052818 1071050835 /nfs/dbraw/zinc/05/08/35/1071050835.db2.gz WIDIYPCTBODGFE-UHFFFAOYSA-O 1 0 500.644 5.039 20 0 KKADRO Cc1cccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1C ZINC000027174742 1071051351 /nfs/dbraw/zinc/05/13/51/1071051351.db2.gz PGCWFTCMTLWXGI-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(N3CCCC3=O)cc2)C(=S)NCc2ccccc2)cc1 ZINC000027198242 1071051968 /nfs/dbraw/zinc/05/19/68/1071051968.db2.gz RPUXLPXGPSZPIU-UHFFFAOYSA-O 1 0 500.688 5.733 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027290943 1071052482 /nfs/dbraw/zinc/05/24/82/1071052482.db2.gz UUNMGVMWDSGPAL-UHFFFAOYSA-O 1 0 500.688 6.012 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000027294174 1071052517 /nfs/dbraw/zinc/05/25/17/1071052517.db2.gz LGQSBPDXXIVZCE-UHFFFAOYSA-O 1 0 500.688 6.012 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1OC)C(=S)Nc1cccc(Br)c1 ZINC000027296013 1071052589 /nfs/dbraw/zinc/05/25/89/1071052589.db2.gz KTHIQZFXYMJVBQ-UHFFFAOYSA-O 1 0 500.438 5.367 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000027483468 1071053279 /nfs/dbraw/zinc/05/32/79/1071053279.db2.gz KENHTXJYFWWQQO-PGRDOPGGSA-O 1 0 500.754 5.119 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1sc2ccccc2c1C)C(=S)Nc1ccc(Cl)cc1Cl ZINC000912828312 1071178728 /nfs/dbraw/zinc/17/87/28/1071178728.db2.gz RXMMJDYMJNBKIX-UHFFFAOYSA-O 1 0 500.496 7.690 20 0 KKADRO CCCCc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(CC)cc2)cc1 ZINC000912839847 1071178763 /nfs/dbraw/zinc/17/87/63/1071178763.db2.gz HZIZWACRGPDLCA-UHFFFAOYSA-O 1 0 500.688 6.329 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)Nc2cccc(NC(C)=O)c2)cc1 ZINC000913141496 1071179496 /nfs/dbraw/zinc/17/94/96/1071179496.db2.gz XZNBIYCMBRECQZ-UHFFFAOYSA-O 1 0 500.688 6.648 20 0 KKADRO COc1ccccc1NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc2c(c1)CCCC2 ZINC000912773736 1071177165 /nfs/dbraw/zinc/17/71/65/1071177165.db2.gz SCQJWGFXKMUCFU-UHFFFAOYSA-O 1 0 500.644 5.312 20 0 KKADRO CCOc1ccc(NC(=S)C(C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000916203914 1071193409 /nfs/dbraw/zinc/19/34/09/1071193409.db2.gz NMDMYAYZDWGWMM-UHFFFAOYSA-O 1 0 500.471 6.882 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000917610540 1071196206 /nfs/dbraw/zinc/19/62/06/1071196206.db2.gz TZJCERUDPXLDHF-OAQYLSRUSA-O 1 0 500.688 5.960 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)Nc2cccc(C(C)C)c2)cc1 ZINC000917614658 1071197032 /nfs/dbraw/zinc/19/70/32/1071197032.db2.gz ZKSBJYJSDXXFON-UHFFFAOYSA-O 1 0 500.688 6.500 20 0 KKADRO O=C(c1cc(Cl)ccc1Cl)C(C(=S)NC1CCOCC1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000727813501 1071278599 /nfs/dbraw/zinc/27/85/99/1071278599.db2.gz KICVTBFVDLVZEU-UHFFFAOYSA-O 1 0 500.471 5.852 20 0 KKADRO O=C(c1ccccc1Br)C(C(=S)NCCc1cccs1)[n+]1ccc2c(c1)CCCC2 ZINC000727812414 1071278710 /nfs/dbraw/zinc/27/87/10/1071278710.db2.gz QOUTUOJFURPRPE-UHFFFAOYSA-O 1 0 500.507 5.720 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)Nc2cnn(CC)c2)cc1 ZINC000726179598 1072907180 /nfs/dbraw/zinc/90/71/80/1072907180.db2.gz SKKNRWKXTLTTOM-UHFFFAOYSA-O 1 0 500.486 6.180 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569150 1072907569 /nfs/dbraw/zinc/90/75/69/1072907569.db2.gz BPFCOSDFGUMUHG-LJQANCHMSA-O 1 0 500.515 7.350 20 0 KKADRO CC(C)c1ccc(C(=O)C(C(=S)NCCCN(C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000726572156 1072909172 /nfs/dbraw/zinc/90/91/72/1072909172.db2.gz VEFSPHAPJUJPBX-UHFFFAOYSA-O 1 0 500.732 6.304 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)NCCc2ccc(Cl)cc2Cl)c1 ZINC000726573110 1072909521 /nfs/dbraw/zinc/90/95/21/1072909521.db2.gz MAOGLFHPQCASAJ-UHFFFAOYSA-O 1 0 500.515 6.867 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)NCCc1ccc(Cl)cc1Cl ZINC000726573223 1072909537 /nfs/dbraw/zinc/90/95/37/1072909537.db2.gz RXBCGJDQSSRGAY-UHFFFAOYSA-O 1 0 500.515 6.812 20 0 KKADRO CC(C)Oc1ccc(C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000749656332 1072911100 /nfs/dbraw/zinc/91/11/00/1072911100.db2.gz RQECDZBQCUMFGG-UHFFFAOYSA-O 1 0 500.059 7.175 20 0 KKADRO O=C(c1ccccc1Br)C(C(=S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000024076474 1070951852 /nfs/dbraw/zinc/95/18/52/1070951852.db2.gz ZXJOMKYTSZCIAF-UHFFFAOYSA-O 1 0 500.869 6.320 20 0 KKADRO COc1ccc(CNC(=S)C(C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000024079374 1070951866 /nfs/dbraw/zinc/95/18/66/1070951866.db2.gz FVJLXGOXXPAXSD-UHFFFAOYSA-O 1 0 500.471 5.897 20 0 KKADRO O=C(c1ccc(Br)cc1)C(C(=S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000024076456 1070951872 /nfs/dbraw/zinc/95/18/72/1070951872.db2.gz HEIHFMUKORCTJU-UHFFFAOYSA-O 1 0 500.869 6.320 20 0 KKADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000027177503 1071051374 /nfs/dbraw/zinc/05/13/74/1071051374.db2.gz UHBZYYCIIOYBSR-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO O=C(c1ccc2c(c1)OCO2)C(C(=S)Nc1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000027206192 1071051882 /nfs/dbraw/zinc/05/18/82/1071051882.db2.gz VIRDPNRTOOOVQK-UHFFFAOYSA-O 1 0 500.427 5.939 20 0 KKADRO COc1ccc(C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(OC)c1 ZINC000027312860 1071052538 /nfs/dbraw/zinc/05/25/38/1071052538.db2.gz RYMUHIPJHXCLTL-UHFFFAOYSA-O 1 0 500.015 5.714 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC000028781047 1071121826 /nfs/dbraw/zinc/12/18/26/1071121826.db2.gz KOHNVEMPDIJOKP-UHFFFAOYSA-O 1 0 500.547 5.832 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)Nc2ccccc2C)cc1 ZINC000912794607 1071177957 /nfs/dbraw/zinc/17/79/57/1071177957.db2.gz AENHAMCEWHOLIX-UHFFFAOYSA-O 1 0 500.688 6.636 20 0 KKADRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2cc(C)c(C)c(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 ZINC000913138612 1071179554 /nfs/dbraw/zinc/17/95/54/1071179554.db2.gz COUOPTUEDQBRSR-UHFFFAOYSA-O 1 0 500.688 6.368 20 0 KKADRO CC(C)c1cccc(C(C)C)c1NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000917608978 1071195594 /nfs/dbraw/zinc/19/55/94/1071195594.db2.gz IPJWFKKJBXCKSL-UHFFFAOYSA-O 1 0 500.688 6.671 20 0 KKADRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccccc2CC)c1C ZINC000917610925 1071196168 /nfs/dbraw/zinc/19/61/68/1071196168.db2.gz ZKRJWFJFIYHAFR-UHFFFAOYSA-O 1 0 500.644 6.410 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000917611058 1071196214 /nfs/dbraw/zinc/19/62/14/1071196214.db2.gz YGKYYNFWQVTJOL-NRFANRHFSA-O 1 0 500.688 5.094 20 0 KKADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728040823 1071279314 /nfs/dbraw/zinc/27/93/14/1071279314.db2.gz MHRBYAHKRQDDGH-IBGZPJMESA-O 1 0 500.644 5.512 20 0 KKADRO C[C@H]1Oc2ccc(C(=O)C(C(=S)Nc3ccc(SC(F)F)cc3)[n+]3ccccc3)cc2NC1=O ZINC000728040412 1071279326 /nfs/dbraw/zinc/27/93/26/1071279326.db2.gz IQSOKORVMLEYIG-CQSZACIVSA-O 1 0 500.572 5.332 20 0 KKADRO Cc1ccc(F)c(NC(=S)C(C(=O)c2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000744116036 1071288922 /nfs/dbraw/zinc/28/89/22/1071288922.db2.gz LFEKERFOXILMLS-UHFFFAOYSA-O 1 0 500.457 6.805 20 0 KKADRO Cc1ccccc1C(=O)C(C(=S)N[C@H](C)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1 ZINC000726569381 1072906851 /nfs/dbraw/zinc/90/68/51/1072906851.db2.gz FHUPNMBKOGCVPH-GOSISDBHSA-O 1 0 500.515 7.449 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccccc2Br)C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000726569189 1072907476 /nfs/dbraw/zinc/90/74/76/1072907476.db2.gz BTMSRMUBBLYRAN-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000726569091 1072907622 /nfs/dbraw/zinc/90/76/22/1072907622.db2.gz ACGNJQIZUDKPGZ-GOSISDBHSA-O 1 0 500.515 7.529 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726570391 1072908134 /nfs/dbraw/zinc/90/81/34/1072908134.db2.gz MOTJFFDDTNMRFY-FQEVSTJZSA-O 1 0 500.515 7.385 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)COC2)C(=S)NCCc1ccc(Cl)cc1Cl ZINC000726573114 1072909461 /nfs/dbraw/zinc/90/94/61/1072909461.db2.gz MCWBZENUOPWZFW-UHFFFAOYSA-O 1 0 500.471 5.917 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726573164 1072909469 /nfs/dbraw/zinc/90/94/69/1072909469.db2.gz ONTOZFKNUWWMIU-UHFFFAOYSA-O 1 0 500.471 5.822 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726573132 1072909481 /nfs/dbraw/zinc/90/94/81/1072909481.db2.gz MQRDSPVESDSPNB-UHFFFAOYSA-O 1 0 500.515 6.894 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)NCCc1ccc(Cl)cc1Cl ZINC000726573385 1072909544 /nfs/dbraw/zinc/90/95/44/1072909544.db2.gz ZACLDIQLCNEDDA-UHFFFAOYSA-O 1 0 500.471 5.822 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726579380 1072910321 /nfs/dbraw/zinc/91/03/21/1072910321.db2.gz JRKVIRXSUHSRML-INIZCTEOSA-O 1 0 500.507 6.239 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726579384 1072910486 /nfs/dbraw/zinc/91/04/86/1072910486.db2.gz JRKVIRXSUHSRML-MRXNPFEDSA-O 1 0 500.507 6.239 20 0 KKADRO COc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cccc(C)c2)cc1Cl ZINC000726962999 1072910503 /nfs/dbraw/zinc/91/05/03/1072910503.db2.gz OLVNNWAQZGTZFL-UHFFFAOYSA-O 1 0 500.043 6.839 20 0 KKADRO COc1cc2cnc(Cl)cc2cc1N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001165444554 1072913524 /nfs/dbraw/zinc/91/35/24/1072913524.db2.gz PSWCHVAIUXJFEV-UHFFFAOYSA-N 1 0 500.006 5.140 20 0 KKADRO Clc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(-c4cnc5ccc(NCc6ccco6)nn54)cc3)C2)cc1 ZINC001230097492 1072916570 /nfs/dbraw/zinc/91/65/70/1072916570.db2.gz DDPDZBDIBSWYDO-VWLOTQADSA-N 1 0 500.002 5.908 20 0 KKADRO Clc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(-c3cnc4ccc(NCc5ccco5)nn43)cc2)C1 ZINC001230097283 1072916734 /nfs/dbraw/zinc/91/67/34/1072916734.db2.gz ADNPULAVGROIAX-XMMPIXPASA-N 1 0 500.002 5.908 20 0 KKADRO CCOC(=O)c1ccc(NC(=S)C(C(=O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000024077313 1070951899 /nfs/dbraw/zinc/95/18/99/1070951899.db2.gz GTDFWMBINHXWOL-UHFFFAOYSA-O 1 0 500.065 5.795 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000027086327 1071050886 /nfs/dbraw/zinc/05/08/86/1071050886.db2.gz LDWWEYXKTSWIST-UHFFFAOYSA-O 1 0 500.566 5.955 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2ccc(SC(F)F)cc2)cc1 ZINC000027066349 1071050914 /nfs/dbraw/zinc/05/09/14/1071050914.db2.gz JMQNYFQJXKBWCQ-UHFFFAOYSA-O 1 0 500.616 5.341 20 0 KKADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027186125 1071051928 /nfs/dbraw/zinc/05/19/28/1071051928.db2.gz UVKNJEHUGQNJOA-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CCOc1cc(-c2nnc(S[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)cc(OCC)c1OCC ZINC000514395585 1071117955 /nfs/dbraw/zinc/11/79/55/1071117955.db2.gz OCHHCKRNDKPVKI-HXUWFJFHSA-N 1 0 554.713 5.194 20 0 KKADRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)CCCC3)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000913138603 1071179489 /nfs/dbraw/zinc/17/94/89/1071179489.db2.gz CCHGHOFADPSOON-UHFFFAOYSA-O 1 0 500.688 6.432 20 0 KKADRO O=C(c1cc(Cl)ccc1Cl)C(C(=S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1 ZINC000916202432 1071193287 /nfs/dbraw/zinc/19/32/87/1071193287.db2.gz IFOPPGXCNMVSOP-UHFFFAOYSA-O 1 0 500.349 6.115 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)N[C@H](C)c2ccccc2)cc1 ZINC000917614253 1071196959 /nfs/dbraw/zinc/19/69/59/1071196959.db2.gz WAOYYOFQEVVMRW-GOSISDBHSA-O 1 0 500.515 7.747 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)N[C@H](C)c2ccccc2)cc1 ZINC000917613245 1071197055 /nfs/dbraw/zinc/19/70/55/1071197055.db2.gz QLIRJSYICYPWGI-GOSISDBHSA-O 1 0 500.515 7.747 20 0 KKADRO CCc1c(C(=O)C(C(=S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2CC)[nH]c(C)c1C(C)=O ZINC000920393683 1071203388 /nfs/dbraw/zinc/20/33/88/1071203388.db2.gz YPNKOSBYDWCHOC-UHFFFAOYSA-O 1 0 500.591 5.863 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000728040398 1071279266 /nfs/dbraw/zinc/27/92/66/1071279266.db2.gz IGFGSNOGSSHGAR-OAHLLOKOSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)[n+]1ccc2c(c1)CCCC2 ZINC000728044524 1071279902 /nfs/dbraw/zinc/27/99/02/1071279902.db2.gz XLYFQUIPWHVKCU-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1ccc2c(c1)CCCC2)c1ccccc1 ZINC000728045688 1071279974 /nfs/dbraw/zinc/27/99/74/1071279974.db2.gz XVYVBWHRMNSKHZ-MOPGFXCFSA-O 1 0 500.644 5.134 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(OC)c(Cl)c2)C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000726566910 1072907060 /nfs/dbraw/zinc/90/70/60/1072907060.db2.gz CDULQBWZXRKJTL-UHFFFAOYSA-O 1 0 500.040 5.929 20 0 KKADRO CCc1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000726569117 1072907544 /nfs/dbraw/zinc/90/75/44/1072907544.db2.gz AYANLWSAENEZQO-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569147 1072907631 /nfs/dbraw/zinc/90/76/31/1072907631.db2.gz BPFCOSDFGUMUHG-IBGZPJMESA-O 1 0 500.515 7.350 20 0 KKADRO Cc1c2ccccc2sc1C(=O)C(C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000726569096 1072907643 /nfs/dbraw/zinc/90/76/43/1072907643.db2.gz AJRNVYGKJAPVHX-INIZCTEOSA-O 1 0 500.496 7.366 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(Br)cc1)C(=S)Nc1cc(OC)ccc1OC ZINC000726569934 1072908527 /nfs/dbraw/zinc/90/85/27/1072908527.db2.gz LVRFUHVFGSNGCU-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO Cc1cc(C(=O)C(C(=S)NCc2cccc(C(F)(F)F)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C ZINC000726570582 1072908618 /nfs/dbraw/zinc/90/86/18/1072908618.db2.gz OIXWQCZQZALCTB-UHFFFAOYSA-O 1 0 500.610 5.828 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726571713 1072909093 /nfs/dbraw/zinc/90/90/93/1072909093.db2.gz XFXLHEDAMLLQGK-SFHVURJKSA-O 1 0 500.515 7.449 20 0 KKADRO COc1ccc(NC(=S)C(C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)cc1F ZINC000726576830 1072910477 /nfs/dbraw/zinc/91/04/77/1072910477.db2.gz IVNIDVVABATWTP-UHFFFAOYSA-O 1 0 500.619 5.658 20 0 KKADRO CC(C)Oc1ccc(C(=O)C(C(=S)Nc2cccc(Br)c2)[n+]2cccc(CO)c2)cc1 ZINC000749661017 1072911185 /nfs/dbraw/zinc/91/11/85/1072911185.db2.gz ZQLQKBQGVZGWBH-UHFFFAOYSA-O 1 0 500.438 5.339 20 0 KKADRO COc1ccc2c(cc(Cl)nc2N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1 ZINC001165443204 1072913592 /nfs/dbraw/zinc/91/35/92/1072913592.db2.gz VJJQVKRMFFESTK-UHFFFAOYSA-N 1 0 500.006 5.140 20 0 KKADRO CCOc1ccc(NC(=S)C(C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000024077178 1069855328 /nfs/dbraw/zinc/85/53/28/1069855328.db2.gz YZQVVJYGLYYEDA-UHFFFAOYSA-O 1 0 500.471 6.609 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1 ZINC000027066582 1071050771 /nfs/dbraw/zinc/05/07/71/1071050771.db2.gz OVZVXEUTLGWAPK-UHFFFAOYSA-O 1 0 500.616 5.018 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)Nc2ccc(SC(F)F)cc2)cc1 ZINC000027066791 1071050842 /nfs/dbraw/zinc/05/08/42/1071050842.db2.gz UQTGQPLSTIIZSI-UHFFFAOYSA-O 1 0 500.616 5.861 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccccc2C(F)(F)F)[n+]2ccc(C)cc2)cc1 ZINC000027085871 1071050908 /nfs/dbraw/zinc/05/09/08/1071050908.db2.gz IHXWTGVPGASIKM-UHFFFAOYSA-O 1 0 500.566 5.031 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027294494 1071052376 /nfs/dbraw/zinc/05/23/76/1071052376.db2.gz OXHXJZWEWONOIL-UHFFFAOYSA-O 1 0 500.688 6.061 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000027289012 1071052529 /nfs/dbraw/zinc/05/25/29/1071052529.db2.gz CCGRAUCYEYLOII-UHFFFAOYSA-O 1 0 500.349 6.539 20 0 KKADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000912803640 1071178020 /nfs/dbraw/zinc/17/80/20/1071178020.db2.gz XQXWIUSYSDRHJM-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO O=C(c1cccc(N2CCCC2=O)c1)C(C(=S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1 ZINC000912832056 1071178689 /nfs/dbraw/zinc/17/86/89/1071178689.db2.gz IUHCXLAIZSRVRZ-UHFFFAOYSA-O 1 0 500.522 5.323 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000916202157 1071193264 /nfs/dbraw/zinc/19/32/64/1071193264.db2.gz GZIBIPLVMZFYPK-UHFFFAOYSA-O 1 0 500.610 6.160 20 0 KKADRO Cc1cc(C)c(C(=O)C(C(=S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1C ZINC000028781571 1071215335 /nfs/dbraw/zinc/21/53/35/1071215335.db2.gz BNDBCURKYLXZRR-UHFFFAOYSA-O 1 0 500.660 6.331 20 0 KKADRO CCc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000728040940 1071279295 /nfs/dbraw/zinc/27/92/95/1071279295.db2.gz MRGDCXVVNTYFFD-GOSISDBHSA-O 1 0 500.644 5.458 20 0 KKADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728040825 1071279392 /nfs/dbraw/zinc/27/93/92/1071279392.db2.gz MHRBYAHKRQDDGH-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1ccc2c(c1)CCCC2 ZINC000728044045 1071279875 /nfs/dbraw/zinc/27/98/75/1071279875.db2.gz UBAXVYTZAYNREE-SFHVURJKSA-O 1 0 500.644 5.458 20 0 KKADRO O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001176793651 1071299242 /nfs/dbraw/zinc/29/92/42/1071299242.db2.gz OGGPPDIJLLFHGI-UHFFFAOYSA-N 1 0 500.002 5.053 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000726570308 1072908125 /nfs/dbraw/zinc/90/81/25/1072908125.db2.gz LEFRFOQKIUCLGJ-IBGZPJMESA-O 1 0 500.515 7.331 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570457 1072908559 /nfs/dbraw/zinc/90/85/59/1072908559.db2.gz PKCKOBDOYKPZTJ-MRXNPFEDSA-O 1 0 500.471 6.436 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726571178 1072908653 /nfs/dbraw/zinc/90/86/53/1072908653.db2.gz SCGKLHQMIBULHO-SFHVURJKSA-O 1 0 500.515 7.449 20 0 KKADRO COc1ccc(OC)c(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 ZINC000726570793 1072908743 /nfs/dbraw/zinc/90/87/43/1072908743.db2.gz QTOASDBLENNVFW-UHFFFAOYSA-O 1 0 500.644 5.850 20 0 KKADRO CC(C)Oc1ccc(NC(=S)C(C(=O)c2cccc(Br)c2)[n+]2cccc(CO)c2)cc1 ZINC000726573769 1072910005 /nfs/dbraw/zinc/91/00/05/1072910005.db2.gz GFXROZHCZYEFEP-UHFFFAOYSA-O 1 0 500.438 5.339 20 0 KKADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccc(OC)c(Cl)c2)[n+]2ccc(C)cc2)c1 ZINC000726961432 1072910352 /nfs/dbraw/zinc/91/03/52/1072910352.db2.gz AZZFBEHGCHNZKT-UHFFFAOYSA-O 1 0 500.040 6.065 20 0 KKADRO C[NH2+][C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001217712779 1072914597 /nfs/dbraw/zinc/91/45/97/1072914597.db2.gz GDYXNSNLPJMWQZ-SANMLTNESA-N 1 0 500.002 5.717 20 0 KKADRO C[NH+]1CCC(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)(c2nc(-c3ccccc3)cs2)CC1 ZINC000098209245 1069694885 /nfs/dbraw/zinc/69/48/85/1069694885.db2.gz BQFISAUAZNJOEG-UHFFFAOYSA-N 1 0 527.572 5.272 20 0 in-vitro KKADRO COc1ccc(CNC(=S)C(C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000024079342 1070951886 /nfs/dbraw/zinc/95/18/86/1070951886.db2.gz HUFZVHLEFOTZPG-UHFFFAOYSA-O 1 0 500.471 5.897 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000024076655 1070951889 /nfs/dbraw/zinc/95/18/89/1070951889.db2.gz HPNXUYUAFQLDSN-UHFFFAOYSA-O 1 0 500.457 6.830 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(NC(=O)C(C)C)cc2)C(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000027085817 1071050758 /nfs/dbraw/zinc/05/07/58/1071050758.db2.gz JVFBGAQFEDSYFZ-UHFFFAOYSA-O 1 0 500.566 5.947 20 0 KKADRO CC(=O)Nc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000027485169 1071053309 /nfs/dbraw/zinc/05/33/09/1071053309.db2.gz FWOVNSOCBGZNBB-KDYSTLNUSA-O 1 0 500.688 5.630 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)c(C)c1C)C(=S)Nc1c(Cl)ccc(C)c1Cl ZINC000728557379 1071136379 /nfs/dbraw/zinc/13/63/79/1071136379.db2.gz ABFOIPZEIRXZEX-UHFFFAOYSA-O 1 0 500.515 7.709 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000912801197 1071177971 /nfs/dbraw/zinc/17/79/71/1071177971.db2.gz DGWABFAYWOJFCJ-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000917611064 1071196196 /nfs/dbraw/zinc/19/61/96/1071196196.db2.gz YGKYYNFWQVTJOL-OAQYLSRUSA-O 1 0 500.688 5.094 20 0 KKADRO CCc1c(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000920397930 1071204792 /nfs/dbraw/zinc/20/47/92/1071204792.db2.gz ZUNYNAOMSDSAKK-UHFFFAOYSA-O 1 0 500.547 5.329 20 0 KKADRO CC(C)(C)C(=O)Nc1ccc(C(=O)C(C(=S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 ZINC000027078089 1071215378 /nfs/dbraw/zinc/21/53/78/1071215378.db2.gz BUSXATHSTFRMTC-UHFFFAOYSA-O 1 0 500.566 6.028 20 0 KKADRO O=C(c1ccc(Br)cc1)C(C(=S)NCCc1cccs1)[n+]1ccc2c(c1)CCCC2 ZINC000727812771 1071278511 /nfs/dbraw/zinc/27/85/11/1071278511.db2.gz SNTLDAVTUKEYTK-UHFFFAOYSA-O 1 0 500.507 5.720 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000728040088 1071279274 /nfs/dbraw/zinc/27/92/74/1071279274.db2.gz FHNZMAYZVCNYBO-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728043750 1071279958 /nfs/dbraw/zinc/27/99/58/1071279958.db2.gz WWBMBDJMUAOJSG-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO COc1ccc(C)cc1C(=O)C(C(=S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000748291855 1072899154 /nfs/dbraw/zinc/89/91/54/1072899154.db2.gz LTXRPCCMLPZYIC-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO COc1ccc(C)cc1C(=O)C(C(=S)Nc1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000748293190 1072899193 /nfs/dbraw/zinc/89/91/93/1072899193.db2.gz UUPZZWKQWBVEOA-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccccc1Br)C(=S)Nc1cc(OC)ccc1OC ZINC000726569284 1072907452 /nfs/dbraw/zinc/90/74/52/1072907452.db2.gz DWWOVHCWVRRKNW-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000726569092 1072907589 /nfs/dbraw/zinc/90/75/89/1072907589.db2.gz ACGNJQIZUDKPGZ-SFHVURJKSA-O 1 0 500.515 7.529 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569458 1072907600 /nfs/dbraw/zinc/90/76/00/1072907600.db2.gz IHDZRYOEXYPCDJ-SFHVURJKSA-O 1 0 500.515 7.529 20 0 KKADRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569105 1072907609 /nfs/dbraw/zinc/90/76/09/1072907609.db2.gz APXPOSXVOROMGC-FQEVSTJZSA-O 1 0 500.515 7.385 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570297 1072907965 /nfs/dbraw/zinc/90/79/65/1072907965.db2.gz KWLBBOHQSNMKOG-SFHVURJKSA-O 1 0 500.515 7.747 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)COC2)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000726569837 1072908643 /nfs/dbraw/zinc/90/86/43/1072908643.db2.gz KRCDWCCXGJXTFK-INIZCTEOSA-O 1 0 500.471 6.436 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726571697 1072909080 /nfs/dbraw/zinc/90/90/80/1072909080.db2.gz VJDLGNFKYWYRDS-INIZCTEOSA-O 1 0 500.471 5.824 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(CC)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572632 1072909993 /nfs/dbraw/zinc/90/99/93/1072909993.db2.gz FVQUSLYEWBEUHV-UHFFFAOYSA-O 1 0 500.515 6.839 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726581861 1072910453 /nfs/dbraw/zinc/91/04/53/1072910453.db2.gz XJSMUDAOQLZUBW-MRXNPFEDSA-O 1 0 500.507 6.239 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726581860 1072910525 /nfs/dbraw/zinc/91/05/25/1072910525.db2.gz XJSMUDAOQLZUBW-INIZCTEOSA-O 1 0 500.507 6.239 20 0 KKADRO CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2ccc(F)cc2)c2c1C[NH2+]CC2 ZINC001165642488 1072913867 /nfs/dbraw/zinc/91/38/67/1072913867.db2.gz XAVKLTCUEPRUJV-UHFFFAOYSA-N 1 0 500.003 5.279 20 0 KKADRO COc1ccccc1C(=O)C(C(=S)Nc1c(Cl)ccc(C)c1Cl)[n+]1ccc2c(c1)CCCC2 ZINC000728557549 1069849831 /nfs/dbraw/zinc/84/98/31/1069849831.db2.gz DGMUYYPOCNJUKM-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO O=C(c1cccc(Br)c1)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000024078937 1070951180 /nfs/dbraw/zinc/95/11/80/1070951180.db2.gz YNWJGWDMHIVKOK-UHFFFAOYSA-O 1 0 500.869 6.320 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC000024078795 1070951376 /nfs/dbraw/zinc/95/13/76/1070951376.db2.gz JFFAUZRFWRKOGU-UHFFFAOYSA-O 1 0 500.547 5.796 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)cc1)C(=S)Nc1ccc(SC(F)F)cc1 ZINC000027066800 1071050828 /nfs/dbraw/zinc/05/08/28/1071050828.db2.gz CEEIRLYVRYDMAN-UHFFFAOYSA-O 1 0 500.616 5.861 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2OC)C(=S)Nc2cccc(Br)c2)cc1 ZINC000027296005 1071052408 /nfs/dbraw/zinc/05/24/08/1071052408.db2.gz ACFQZEMVTRCIRH-UHFFFAOYSA-O 1 0 500.438 5.367 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(OC)c(Cl)c2)C(=S)Nc2ccc(C)c(F)c2)cc1 ZINC000027292566 1071052549 /nfs/dbraw/zinc/05/25/49/1071052549.db2.gz HAIWNHDLNIUJCF-UHFFFAOYSA-O 1 0 500.059 7.038 20 0 KKADRO CC(=O)Nc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000027485167 1071053315 /nfs/dbraw/zinc/05/33/15/1071053315.db2.gz FWOVNSOCBGZNBB-JIPXPUAJSA-O 1 0 500.688 5.630 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000027483466 1071053326 /nfs/dbraw/zinc/05/33/26/1071053326.db2.gz KENHTXJYFWWQQO-XMSQKQJNSA-O 1 0 500.754 5.119 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(CNC(C)=O)s2)C(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000027484089 1071053331 /nfs/dbraw/zinc/05/33/31/1071053331.db2.gz DZYLAHPPAPSGKD-FDDCHVKYSA-O 1 0 500.754 5.682 20 0 KKADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000514405762 1071119435 /nfs/dbraw/zinc/11/94/35/1071119435.db2.gz YZNHIGMOVYTYMC-UHFFFAOYSA-N 1 0 517.620 5.396 20 0 KKADRO Cc1cc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000912832156 1071178644 /nfs/dbraw/zinc/17/86/44/1071178644.db2.gz SWQVBIGRASRJKW-UHFFFAOYSA-O 1 0 500.349 6.811 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000912837668 1071178698 /nfs/dbraw/zinc/17/86/98/1071178698.db2.gz CBSCVHBLGUMQOJ-UHFFFAOYSA-O 1 0 500.735 5.074 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)NCCc2ccccc2)cc1 ZINC000912835120 1071179567 /nfs/dbraw/zinc/17/95/67/1071179567.db2.gz RUXCUEGZFIDLPS-UHFFFAOYSA-O 1 0 500.688 5.442 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)Nc2cccc(C)c2)cc1 ZINC000912800693 1071177835 /nfs/dbraw/zinc/17/78/35/1071177835.db2.gz YRKWRYSFAFSDGK-UHFFFAOYSA-O 1 0 500.688 6.636 20 0 KKADRO CSc1cc(C(=O)C(C(=S)Nc2cccc3ccccc32)[n+]2cccc(C)c2)ccc1NC(C)=O ZINC000917606831 1071195628 /nfs/dbraw/zinc/19/56/28/1071195628.db2.gz GQNTXGDCDRMEFQ-UHFFFAOYSA-O 1 0 500.669 6.439 20 0 KKADRO O=C(c1ccc2c(c1)Cc1ccccc1-2)C(C(=S)Nc1cccc(Br)c1)[n+]1ccccc1 ZINC000917608525 1071195648 /nfs/dbraw/zinc/19/56/48/1071195648.db2.gz DMQWEBGWYMJCTQ-UHFFFAOYSA-O 1 0 500.441 6.631 20 0 KKADRO COc1cccc(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027166804 1071215409 /nfs/dbraw/zinc/21/54/09/1071215409.db2.gz KJJJACZCDMYMAH-UHFFFAOYSA-O 1 0 500.644 5.039 20 0 KKADRO O=C(c1cccc(Br)c1)C(C(=S)NCCc1cccs1)[n+]1ccc2c(c1)CCCC2 ZINC000727811725 1071278689 /nfs/dbraw/zinc/27/86/89/1071278689.db2.gz CXTVDPMHQWSURK-UHFFFAOYSA-O 1 0 500.507 5.720 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)c(C)c1 ZINC000728040190 1071279361 /nfs/dbraw/zinc/27/93/61/1071279361.db2.gz GTOWTVQRLVBATM-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2ccccc2-c2ccccc2)[n+]2cccc(C)c2)s1 ZINC000725764527 1072907141 /nfs/dbraw/zinc/90/71/41/1072907141.db2.gz YIXUEVOWEKHHLX-UHFFFAOYSA-O 1 0 500.669 5.970 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000726570309 1072907978 /nfs/dbraw/zinc/90/79/78/1072907978.db2.gz LEFRFOQKIUCLGJ-LJQANCHMSA-O 1 0 500.515 7.331 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570356 1072908114 /nfs/dbraw/zinc/90/81/14/1072908114.db2.gz NIZYYLUENIBPKO-IBGZPJMESA-O 1 0 500.515 7.412 20 0 KKADRO Cc1ccc(C(=O)C(C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000726571671 1072909475 /nfs/dbraw/zinc/90/94/75/1072909475.db2.gz WLJIGPRGZIOSSC-SFHVURJKSA-O 1 0 500.515 7.449 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)N[C@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000726576841 1072910552 /nfs/dbraw/zinc/91/05/52/1072910552.db2.gz IVPFIXRUPSQQCO-MRXNPFEDSA-O 1 0 500.735 5.593 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(CC(C)C)cc1)C(=S)Nc1c(Cl)ccc(C)c1Cl ZINC000728557584 1069849720 /nfs/dbraw/zinc/84/97/20/1069849720.db2.gz DZUASJSWTUIULY-UHFFFAOYSA-O 1 0 500.515 7.674 20 0 KKADRO O=C(c1ccc(Br)cc1)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000024078925 1070951399 /nfs/dbraw/zinc/95/13/99/1070951399.db2.gz NHJGGINCHZHWKX-UHFFFAOYSA-O 1 0 500.869 6.320 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)cc1 ZINC000027078047 1071050815 /nfs/dbraw/zinc/05/08/15/1071050815.db2.gz NEBYQIFKIWLZMN-UHFFFAOYSA-O 1 0 500.566 5.031 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccccc2C(F)(F)F)[n+]2cccc(C)c2)cc1 ZINC000027085839 1071050871 /nfs/dbraw/zinc/05/08/71/1071050871.db2.gz MSNBHEMJDNHTRE-UHFFFAOYSA-O 1 0 500.566 5.031 20 0 KKADRO Cc1cccc(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000027174204 1071051255 /nfs/dbraw/zinc/05/12/55/1071051255.db2.gz WVOMRAQUXQMJRV-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000027090522 1071051334 /nfs/dbraw/zinc/05/13/34/1071051334.db2.gz VCOFIYCWQVUVEI-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000027288827 1071052012 /nfs/dbraw/zinc/05/20/12/1071052012.db2.gz GPQUPDFNXUMQBE-UHFFFAOYSA-O 1 0 500.522 5.736 20 0 KKADRO CCc1ccc(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027203845 1071052034 /nfs/dbraw/zinc/05/20/34/1071052034.db2.gz WLTLOCHBMKZPKW-UHFFFAOYSA-O 1 0 500.688 6.061 20 0 KKADRO CCc1ccc(NC(=S)C(C(=O)c2ccc(CCNC(C)=O)cc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027203900 1071052079 /nfs/dbraw/zinc/05/20/79/1071052079.db2.gz QSNPGYLYDUEFBT-UHFFFAOYSA-O 1 0 500.688 5.145 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(CCNC(C)=O)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027291323 1071052398 /nfs/dbraw/zinc/05/23/98/1071052398.db2.gz SCUCIRZYKQLQJH-UHFFFAOYSA-O 1 0 500.688 5.145 20 0 KKADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)c(C)c2)CC1 ZINC000514294229 1071088827 /nfs/dbraw/zinc/08/88/27/1071088827.db2.gz YDHJVBGUNSDEIL-UHFFFAOYSA-N 1 0 508.732 5.272 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000912800097 1071178010 /nfs/dbraw/zinc/17/80/10/1071178010.db2.gz CPPZBAIOBSGVKO-UHFFFAOYSA-O 1 0 500.688 6.500 20 0 KKADRO CC(=O)Nc1cccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 ZINC000913141514 1071179513 /nfs/dbraw/zinc/17/95/13/1071179513.db2.gz YQERZTYEXNOWPD-UHFFFAOYSA-O 1 0 500.669 6.217 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000917610593 1071196154 /nfs/dbraw/zinc/19/61/54/1071196154.db2.gz VXVXCTSFNAVLMZ-OAQYLSRUSA-O 1 0 500.688 5.960 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000917614254 1071196871 /nfs/dbraw/zinc/19/68/71/1071196871.db2.gz WAOYYOFQEVVMRW-SFHVURJKSA-O 1 0 500.515 7.747 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000917611839 1071196941 /nfs/dbraw/zinc/19/69/41/1071196941.db2.gz FQXAHZNJPOQNML-SFHVURJKSA-O 1 0 500.515 7.747 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027079784 1071215433 /nfs/dbraw/zinc/21/54/33/1071215433.db2.gz ZLLYMQOZYBWXOJ-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1 ZINC000728040264 1071279372 /nfs/dbraw/zinc/27/93/72/1071279372.db2.gz ILLIFNYPYLSDBG-GOSISDBHSA-O 1 0 500.644 5.458 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000728041462 1071279894 /nfs/dbraw/zinc/27/98/94/1071279894.db2.gz PXDMJAMFGXZLPS-OAHLLOKOSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000728043439 1071279906 /nfs/dbraw/zinc/27/99/06/1071279906.db2.gz UVLZGYZKBWVSSC-HNNXBMFYSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1ccc2c(c1)CCCC2 ZINC000728044523 1071279933 /nfs/dbraw/zinc/27/99/33/1071279933.db2.gz XLYFQUIPWHVKCU-IBGZPJMESA-O 1 0 500.644 5.512 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)[n+]1ccc2c(c1)CCCC2 ZINC000728044042 1071279939 /nfs/dbraw/zinc/27/99/39/1071279939.db2.gz UBAXVYTZAYNREE-GOSISDBHSA-O 1 0 500.644 5.458 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000728043347 1071280049 /nfs/dbraw/zinc/28/00/49/1071280049.db2.gz ULSMLBOPBHRWSI-HNNXBMFYSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000731121982 1071280805 /nfs/dbraw/zinc/28/08/05/1071280805.db2.gz UEDBMTQOQPBVMH-UHFFFAOYSA-O 1 0 500.349 6.811 20 0 KKADRO O=C(c1ccc2c(c1)COC2)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000746021345 1071289638 /nfs/dbraw/zinc/28/96/38/1071289638.db2.gz XGBVTBPUWKCRAP-UHFFFAOYSA-O 1 0 500.043 6.572 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569457 1072907519 /nfs/dbraw/zinc/90/75/19/1072907519.db2.gz IHDZRYOEXYPCDJ-GOSISDBHSA-O 1 0 500.515 7.529 20 0 KKADRO CC(C)c1ccc(C(=O)C(C(=S)NCc2cccc(C(F)(F)F)c2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000726570696 1072908580 /nfs/dbraw/zinc/90/85/80/1072908580.db2.gz RCHBSXCJTIZXBV-UHFFFAOYSA-O 1 0 500.610 5.663 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726573251 1072909511 /nfs/dbraw/zinc/90/95/11/1072909511.db2.gz UHNZIEXGEITKOU-UHFFFAOYSA-O 1 0 500.515 7.010 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)NCCc1ccc(Cl)cc1Cl ZINC000726573175 1072909591 /nfs/dbraw/zinc/90/95/91/1072909591.db2.gz PATKQUJBYMRVED-UHFFFAOYSA-O 1 0 500.515 7.010 20 0 KKADRO Cc1ccc(C(=O)C(C(=S)NCCc2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000726573140 1072910035 /nfs/dbraw/zinc/91/00/35/1072910035.db2.gz NANQLFBFGHJVFM-UHFFFAOYSA-O 1 0 500.515 6.930 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(CNC(C)=O)s2)C(=S)Nc2ccc(OC)c(F)c2)cc1 ZINC000726574504 1072910054 /nfs/dbraw/zinc/91/00/54/1072910054.db2.gz CMINNVIJTHHZIL-UHFFFAOYSA-O 1 0 500.641 5.095 20 0 KKADRO CCOc1ccc(NC(=S)C(C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000024077207 1070951919 /nfs/dbraw/zinc/95/19/19/1070951919.db2.gz JWBDDOOJRIBIEV-UHFFFAOYSA-O 1 0 500.471 6.609 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(NC(C)=O)cc2)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000027078313 1071050851 /nfs/dbraw/zinc/05/08/51/1071050851.db2.gz LUTOEFVDBYJLDC-UHFFFAOYSA-O 1 0 500.566 5.955 20 0 KKADRO Cc1ccccc1NC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027094353 1071051310 /nfs/dbraw/zinc/05/13/10/1071051310.db2.gz NVMPTQDQVSVUSB-UHFFFAOYSA-O 1 0 500.688 6.197 20 0 KKADRO CC(C)(C)C(=O)Nc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027199200 1071051982 /nfs/dbraw/zinc/05/19/82/1071051982.db2.gz CIIHZRCVUIXGKG-UHFFFAOYSA-O 1 0 500.688 5.566 20 0 KKADRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1 ZINC000027189659 1071052065 /nfs/dbraw/zinc/05/20/65/1071052065.db2.gz AZWBLDNTYMPWDV-UHFFFAOYSA-O 1 0 500.043 6.204 20 0 KKADRO O=C(c1ccc2c(c1)OCO2)C(C(=S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027298028 1071052390 /nfs/dbraw/zinc/05/23/90/1071052390.db2.gz CKUJRAWCJQKWMS-UHFFFAOYSA-O 1 0 500.427 5.939 20 0 KKADRO CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)c(C(F)(F)F)c1 ZINC000514395791 1071117203 /nfs/dbraw/zinc/11/72/03/1071117203.db2.gz UGEBCOPEQHPPBN-UHFFFAOYSA-N 1 0 563.646 5.223 20 0 KKADRO COc1cccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000912797829 1071177993 /nfs/dbraw/zinc/17/79/93/1071177993.db2.gz YUCGIONAKFEJOW-UHFFFAOYSA-O 1 0 500.644 5.312 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000912831987 1071178788 /nfs/dbraw/zinc/17/87/88/1071178788.db2.gz VIRBSWIFBPBDKT-UHFFFAOYSA-O 1 0 500.688 6.284 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C(=S)Nc2ccc3ccccc3c2)cc1 ZINC000917610003 1071196254 /nfs/dbraw/zinc/19/62/54/1071196254.db2.gz JMAGVRBWZQNEIP-UHFFFAOYSA-O 1 0 500.644 5.981 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(CCNC(C)=O)cc2)C(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000920393719 1071203497 /nfs/dbraw/zinc/20/34/97/1071203497.db2.gz AZGTXRJLIATPPC-UHFFFAOYSA-O 1 0 500.688 5.417 20 0 KKADRO CC(C)NC(=O)CNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(C)(C)C)cc1 ZINC000727419480 1071278544 /nfs/dbraw/zinc/27/85/44/1071278544.db2.gz YYOXDPNCIMOPGN-UHFFFAOYSA-O 1 0 500.688 5.168 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000728040397 1071279412 /nfs/dbraw/zinc/27/94/12/1071279412.db2.gz IGFGSNOGSSHGAR-HNNXBMFYSA-O 1 0 500.522 5.344 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000728043358 1071279995 /nfs/dbraw/zinc/27/99/95/1071279995.db2.gz ULSMLBOPBHRWSI-OAHLLOKOSA-O 1 0 500.522 5.344 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc(OCc3ccccc3)cc2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000730440538 1071280658 /nfs/dbraw/zinc/28/06/58/1071280658.db2.gz SVOFPSRPMMVSDD-UHFFFAOYSA-O 1 0 500.619 5.561 20 0 KKADRO COc1ccc(C)cc1C(=O)C(C(=S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000748290448 1072899309 /nfs/dbraw/zinc/89/93/09/1072899309.db2.gz BMKMTSSZDUYFEP-UHFFFAOYSA-O 1 0 500.471 6.800 20 0 KKADRO Cc1c2ccccc2sc1C(=O)C(C(=S)N[C@H](C)c1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000726569097 1072907487 /nfs/dbraw/zinc/90/74/87/1072907487.db2.gz AJRNVYGKJAPVHX-MRXNPFEDSA-O 1 0 500.496 7.366 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726569439 1072907506 /nfs/dbraw/zinc/90/75/06/1072907506.db2.gz HRRWJADBQMRVBN-IBGZPJMESA-O 1 0 500.515 7.350 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570396 1072908167 /nfs/dbraw/zinc/90/81/67/1072908167.db2.gz MRELKLDWMANNNY-IBGZPJMESA-O 1 0 500.515 7.412 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570456 1072908664 /nfs/dbraw/zinc/90/86/64/1072908664.db2.gz PKCKOBDOYKPZTJ-INIZCTEOSA-O 1 0 500.471 6.436 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726571711 1072909122 /nfs/dbraw/zinc/90/91/22/1072909122.db2.gz XFXLHEDAMLLQGK-GOSISDBHSA-O 1 0 500.515 7.449 20 0 KKADRO Cc1cc(C)c(C(=O)C(C(=S)NCCCN(C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000726573195 1072909574 /nfs/dbraw/zinc/90/95/74/1072909574.db2.gz PZZJQKGCKNWLQE-UHFFFAOYSA-O 1 0 500.732 6.105 20 0 KKADRO O=C(c1ccc(Cl)s1)C(C(=S)NCCc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1 ZINC000726573134 1072909581 /nfs/dbraw/zinc/90/95/81/1072909581.db2.gz MRRFFJAAYASOSL-UHFFFAOYSA-O 1 0 500.880 5.532 20 0 KKADRO Cc1c2ccccc2sc1C(=O)C(C(=S)NCCc1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000726573188 1072909596 /nfs/dbraw/zinc/90/95/96/1072909596.db2.gz PTAYMQYAQFLUFG-UHFFFAOYSA-O 1 0 500.496 6.848 20 0 KKADRO Cc1ccccc1C(=O)C(C(=S)NCCc1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1 ZINC000726572904 1072909895 /nfs/dbraw/zinc/90/98/95/1072909895.db2.gz JMARQGKUEVTSRQ-UHFFFAOYSA-O 1 0 500.515 6.930 20 0 KKADRO Cc1cc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572598 1072909968 /nfs/dbraw/zinc/90/99/68/1072909968.db2.gz DAWZBUKRRUJOOB-UHFFFAOYSA-O 1 0 500.515 6.867 20 0 KKADRO C[NH+](C)Cc1ccc(-c2cnc(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)c3cccc(O)c32)cc1 ZINC001230175735 1072916762 /nfs/dbraw/zinc/91/67/62/1072916762.db2.gz KOHPYMXQYOEPNB-VZIOXZNFSA-N 1 0 500.542 6.074 20 0 KKADRO 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O=C(c1cccc(Br)c1)C(C(=S)Nc1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000916204066 1071193247 /nfs/dbraw/zinc/19/32/47/1071193247.db2.gz DGZAGZGFARMUOC-UHFFFAOYSA-O 1 0 500.869 6.592 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000728045683 1071280008 /nfs/dbraw/zinc/28/00/08/1071280008.db2.gz XTFZMYLAADYEBC-SFHVURJKSA-O 1 0 500.644 5.458 20 0 KKADRO Cc1ccc(F)c(NC(=S)C(C(=O)c2ccc(Oc3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)c1 ZINC000744114912 1071289084 /nfs/dbraw/zinc/28/90/84/1071289084.db2.gz HTOMVEFZQCGABS-UHFFFAOYSA-O 1 0 500.619 6.083 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2Br)C(=S)Nc2cnn(CC)c2)cc1 ZINC000726179371 1072906945 /nfs/dbraw/zinc/90/69/45/1072906945.db2.gz KCAVDSCXWSLGIB-UHFFFAOYSA-O 1 0 500.486 6.180 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726569440 1072907434 /nfs/dbraw/zinc/90/74/34/1072907434.db2.gz HRRWJADBQMRVBN-LJQANCHMSA-O 1 0 500.515 7.350 20 0 KKADRO Cc1ccccc1C(=O)C(C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1 ZINC000726569382 1072907556 /nfs/dbraw/zinc/90/75/56/1072907556.db2.gz FHUPNMBKOGCVPH-SFHVURJKSA-O 1 0 500.515 7.449 20 0 KKADRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569976 1072908087 /nfs/dbraw/zinc/90/80/87/1072908087.db2.gz FKUKUDFTJFYXGY-LJQANCHMSA-O 1 0 500.515 7.331 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570361 1072908177 /nfs/dbraw/zinc/90/81/77/1072908177.db2.gz NIZYYLUENIBPKO-LJQANCHMSA-O 1 0 500.515 7.412 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569854 1072908605 /nfs/dbraw/zinc/90/86/05/1072908605.db2.gz KUUPMLVKFJOZDY-MRXNPFEDSA-O 1 0 500.471 6.340 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000726571756 1072909097 /nfs/dbraw/zinc/90/90/97/1072909097.db2.gz WPPCRLWVOJUJBP-UHFFFAOYSA-O 1 0 500.438 5.640 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)N[C@@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000726576833 1072910411 /nfs/dbraw/zinc/91/04/11/1072910411.db2.gz IVPFIXRUPSQQCO-INIZCTEOSA-O 1 0 500.735 5.593 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(-c2ccccc2)cc1)C(=S)Nc1c(C)cc(C)cc1Cl ZINC000839403404 1072911826 /nfs/dbraw/zinc/91/18/26/1072911826.db2.gz IFHDNEPIGIYDEZ-UHFFFAOYSA-O 1 0 500.087 7.797 20 0 KKADRO CC(C)n1nc(CN(c2nccs2)c2cc(F)ccc2Oc2ccc(Cl)nn2)c2c1C[NH2+]CC2 ZINC001165642089 1072914020 /nfs/dbraw/zinc/91/40/20/1072914020.db2.gz RSEFNEUZUOAALP-UHFFFAOYSA-N 1 0 500.003 5.279 20 0 KKADRO CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2cccc(F)c2)c2c1C[NH2+]CC2 ZINC001165644485 1072914095 /nfs/dbraw/zinc/91/40/95/1072914095.db2.gz KNBFZKMBZQAIIF-UHFFFAOYSA-N 1 0 500.003 5.279 20 0 KKADRO CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2ccccc2F)c2c1C[NH2+]CC2 ZINC001165644159 1072914159 /nfs/dbraw/zinc/91/41/59/1072914159.db2.gz DIOQMNJMUYBWFM-UHFFFAOYSA-N 1 0 500.003 5.279 20 0 KKADRO [NH3+][C@H](Cc1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1)Cc1ccc(OCc2ccccc2)cc1 ZINC001217715170 1072914734 /nfs/dbraw/zinc/91/47/34/1072914734.db2.gz RXFXUVSJOCMZEM-VWLOTQADSA-N 1 0 500.002 5.326 20 0 KKADRO C[NH+](C)Cc1ccc(-c2cnc(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)c3cccc(O)c32)cc1 ZINC001230175733 1072916532 /nfs/dbraw/zinc/91/65/32/1072916532.db2.gz KOHPYMXQYOEPNB-QCHPHUCNSA-N 1 0 500.542 6.074 20 0 KKADRO Clc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(-c3cnc4ccc(NCc5ccco5)nn43)cc2)C1 ZINC001230097267 1072916700 /nfs/dbraw/zinc/91/67/00/1072916700.db2.gz ADNPULAVGROIAX-DEOSSOPVSA-N 1 0 500.002 5.908 20 0 KKADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccc(NC(=O)C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027079698 1071050900 /nfs/dbraw/zinc/05/09/00/1071050900.db2.gz DDIGNXGMBAXACK-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccc(C)cc2C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027176602 1071051229 /nfs/dbraw/zinc/05/12/29/1071051229.db2.gz JJWLBTQRBWDGBX-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO Cc1ccc(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000027176048 1071051275 /nfs/dbraw/zinc/05/12/75/1071051275.db2.gz OJSAVUQPHKKASX-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO O=C(c1ccc2c(c1)OCO2)C(C(=S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027088390 1071051385 /nfs/dbraw/zinc/05/13/85/1071051385.db2.gz MVLUQUPGYFIFHX-UHFFFAOYSA-O 1 0 500.427 5.939 20 0 KKADRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000027195135 1071051873 /nfs/dbraw/zinc/05/18/73/1071051873.db2.gz NOAREOKQOBPUEX-UHFFFAOYSA-O 1 0 500.043 6.204 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000027297467 1071052452 /nfs/dbraw/zinc/05/24/52/1071052452.db2.gz MQBCRHHDSAJLOF-UHFFFAOYSA-O 1 0 500.471 6.564 20 0 KKADRO CC(=O)N(c1nc(CSc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)cs1)c1ccccc1 ZINC000514375647 1071099762 /nfs/dbraw/zinc/09/97/62/1071099762.db2.gz UJVPKNNCAIEUDH-UHFFFAOYSA-N 1 0 553.779 5.722 20 0 KKADRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1 ZINC000028780822 1071122076 /nfs/dbraw/zinc/12/20/76/1071122076.db2.gz ATYUGFXZRMAEGQ-UHFFFAOYSA-O 1 0 500.556 5.218 20 0 KKADRO Cc1cccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000912800706 1071177950 /nfs/dbraw/zinc/17/79/50/1071177950.db2.gz ZYTXHXBFRSDKKX-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)NCc2ccccc2)cc1 ZINC000912822591 1071178711 /nfs/dbraw/zinc/17/87/11/1071178711.db2.gz IIOPYLCYYOJGTM-UHFFFAOYSA-O 1 0 500.688 6.006 20 0 KKADRO CCCCc1ccc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccccc2CC)cc1 ZINC000912840004 1071178799 /nfs/dbraw/zinc/17/87/99/1071178799.db2.gz WXKFRAUGKQQDRC-UHFFFAOYSA-O 1 0 500.688 6.329 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1sc2ccccc2c1C)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000912832917 1071179471 /nfs/dbraw/zinc/17/94/71/1071179471.db2.gz ICJGQRNOOPERJC-UHFFFAOYSA-O 1 0 500.496 7.690 20 0 KKADRO O=C(c1cc(Cl)ccc1Cl)C(C(=S)Nc1ccccc1C(F)(F)F)[n+]1cccc(CO)c1 ZINC000916202150 1071193222 /nfs/dbraw/zinc/19/32/22/1071193222.db2.gz GNQBCENDEGEYNR-UHFFFAOYSA-O 1 0 500.349 6.115 20 0 KKADRO CSc1cc(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2ccc(C)cc2)ccc1NC(C)=O ZINC000917610358 1071196186 /nfs/dbraw/zinc/19/61/86/1071196186.db2.gz JLTYWRCVNHZIAZ-UHFFFAOYSA-O 1 0 500.669 6.439 20 0 KKADRO CCc1c(C(=O)C(C(=S)Nc2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)[nH]c(C)c1C(C)=O ZINC000920393711 1071203140 /nfs/dbraw/zinc/20/31/40/1071203140.db2.gz APGZCXWDBLKBJA-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO CCc1c(C(=O)C(C(=S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(CC)cc2)[nH]c(C)c1C(C)=O ZINC000920392984 1071203306 /nfs/dbraw/zinc/20/33/06/1071203306.db2.gz GLNNTXBBENLVFE-UHFFFAOYSA-O 1 0 500.591 5.863 20 0 KKADRO Cc1cc(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C ZINC000920396679 1071203869 /nfs/dbraw/zinc/20/38/69/1071203869.db2.gz OYNKPTNIHNBCIN-UHFFFAOYSA-O 1 0 500.591 5.872 20 0 KKADRO 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O=C(c1ccc2c(c1)COC2)C(C(=S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000746020127 1071289684 /nfs/dbraw/zinc/28/96/84/1071289684.db2.gz CRGXYRHJJVIFAS-UHFFFAOYSA-O 1 0 500.043 6.572 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)s1 ZINC000725764520 1072907083 /nfs/dbraw/zinc/90/70/83/1072907083.db2.gz YBLFNMKHFXHWKA-UHFFFAOYSA-O 1 0 500.669 5.705 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000726569222 1072907425 /nfs/dbraw/zinc/90/74/25/1072907425.db2.gz CLUJYOKNCAGNFO-MRXNPFEDSA-O 1 0 500.471 6.340 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726570397 1072907954 /nfs/dbraw/zinc/90/79/54/1072907954.db2.gz MRELKLDWMANNNY-LJQANCHMSA-O 1 0 500.515 7.412 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000726570392 1072908204 /nfs/dbraw/zinc/90/82/04/1072908204.db2.gz MOTJFFDDTNMRFY-HXUWFJFHSA-O 1 0 500.515 7.385 20 0 KKADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000726569852 1072908758 /nfs/dbraw/zinc/90/87/58/1072908758.db2.gz KUUPMLVKFJOZDY-INIZCTEOSA-O 1 0 500.471 6.340 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726573081 1072909554 /nfs/dbraw/zinc/90/95/54/1072909554.db2.gz LDPXHHSPCCDUEF-UHFFFAOYSA-O 1 0 500.515 6.894 20 0 KKADRO C[C@@H](NC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc2c(c1)CCCC2)c1cccs1 ZINC000726580604 1072910306 /nfs/dbraw/zinc/91/03/06/1072910306.db2.gz QNLMTWQDUVATHJ-MRXNPFEDSA-O 1 0 500.507 6.239 20 0 KKADRO COc1cccc2c(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)cc(Cl)nc12 ZINC001165443566 1072913560 /nfs/dbraw/zinc/91/35/60/1072913560.db2.gz ZFTGUMIKKGGARS-UHFFFAOYSA-N 1 0 500.006 5.140 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2Br)C(=S)Nc2ccc(F)cc2)cc1 ZINC000024076661 1070951925 /nfs/dbraw/zinc/95/19/25/1070951925.db2.gz ANDYQTYAFVACQM-UHFFFAOYSA-O 1 0 500.457 6.830 20 0 KKADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027079229 1071050821 /nfs/dbraw/zinc/05/08/21/1071050821.db2.gz YQLHQRGNHMMSLG-UHFFFAOYSA-O 1 0 500.688 6.066 20 0 KKADRO CC(C)C(=O)Nc1ccc(C(=O)C(C(=S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1 ZINC000027066569 1071050879 /nfs/dbraw/zinc/05/08/79/1071050879.db2.gz PWYYRVBQTSXFBX-UHFFFAOYSA-O 1 0 500.616 5.934 20 0 KKADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000027288964 1071052461 /nfs/dbraw/zinc/05/24/61/1071052461.db2.gz CILKTSNNTLSWKQ-UHFFFAOYSA-O 1 0 500.349 6.539 20 0 KKADRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(NC(=O)C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027291292 1071052472 /nfs/dbraw/zinc/05/24/72/1071052472.db2.gz VKHTZPCVIKDDLG-UHFFFAOYSA-O 1 0 500.688 6.061 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(N3CCCC3=O)cc2)C(=S)NCCc2ccccc2)cc1 ZINC000027303585 1071052599 /nfs/dbraw/zinc/05/25/99/1071052599.db2.gz DBWGNRCZKLBKFG-UHFFFAOYSA-O 1 0 500.688 5.170 20 0 KKADRO CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)cc(OCC)c1OCC ZINC000514395584 1071117792 /nfs/dbraw/zinc/11/77/92/1071117792.db2.gz OCHHCKRNDKPVKI-FQEVSTJZSA-N 1 0 554.713 5.194 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1sc2ccccc2c1C)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000912791171 1071177935 /nfs/dbraw/zinc/17/79/35/1071177935.db2.gz IHSQBIJGUBTSMS-UHFFFAOYSA-O 1 0 500.496 7.690 20 0 KKADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000912785172 1071177984 /nfs/dbraw/zinc/17/79/84/1071177984.db2.gz SBGAYTAIRULQFC-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)Nc1ccc(F)cc1F ZINC000917606711 1071195550 /nfs/dbraw/zinc/19/55/50/1071195550.db2.gz FKBLQTHSDFEPQE-UHFFFAOYSA-O 1 0 500.616 5.818 20 0 KKADRO CSc1cc(C(=O)C(C(=S)Nc2ccc3ccccc3c2)[n+]2cccc(C)c2)ccc1NC(C)=O ZINC000917609831 1071196116 /nfs/dbraw/zinc/19/61/16/1071196116.db2.gz AUEONSRWGHKACB-UHFFFAOYSA-O 1 0 500.669 6.439 20 0 KKADRO CC(C)c1cccc(C(C)C)c1NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccccc1 ZINC000917609321 1071196134 /nfs/dbraw/zinc/19/61/34/1071196134.db2.gz UGMWIGNPWYIJNG-UHFFFAOYSA-O 1 0 500.688 6.671 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)N[C@H](C)c2ccccc2)cc1 ZINC000917611838 1071196230 /nfs/dbraw/zinc/19/62/30/1071196230.db2.gz FQXAHZNJPOQNML-GOSISDBHSA-O 1 0 500.515 7.747 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000917613246 1071197082 /nfs/dbraw/zinc/19/70/82/1071197082.db2.gz QLIRJSYICYPWGI-SFHVURJKSA-O 1 0 500.515 7.747 20 0 KKADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C(=S)Nc2ccc(Cl)nc2)cc1 ZINC000727160947 1071278723 /nfs/dbraw/zinc/27/87/23/1071278723.db2.gz XSCMVXVYMUIGRF-UHFFFAOYSA-O 1 0 500.047 5.463 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)NCCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000727813956 1071279288 /nfs/dbraw/zinc/27/92/88/1071279288.db2.gz PAQXMCFESHDRCH-UHFFFAOYSA-O 1 0 500.735 5.074 20 0 KKADRO 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C[C@@H](NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000726571699 1072909102 /nfs/dbraw/zinc/90/91/02/1072909102.db2.gz VJDLGNFKYWYRDS-MRXNPFEDSA-O 1 0 500.471 5.824 20 0 KKADRO CN(CCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000726571914 1072909110 /nfs/dbraw/zinc/90/91/10/1072909110.db2.gz OKBVOVJNNOTEGK-UHFFFAOYSA-O 1 0 500.688 6.345 20 0 KKADRO Cc1ccc(C(=O)C(C(=S)N[C@H](C)c2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000726571670 1072909531 /nfs/dbraw/zinc/90/95/31/1072909531.db2.gz WLJIGPRGZIOSSC-GOSISDBHSA-O 1 0 500.515 7.449 20 0 KKADRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)NCCc2ccc(Cl)cc2Cl)c1 ZINC000726573354 1072909570 /nfs/dbraw/zinc/90/95/70/1072909570.db2.gz XZFPSZLQASLVHL-UHFFFAOYSA-O 1 0 500.515 6.930 20 0 KKADRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000726572575 1072909928 /nfs/dbraw/zinc/90/99/28/1072909928.db2.gz CEQSYPPRKFCNLF-UHFFFAOYSA-O 1 0 500.515 7.228 20 0 KKADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccc(Br)cc2)[n+]2ccccc2)c1 ZINC000726963995 1072910400 /nfs/dbraw/zinc/91/04/00/1072910400.db2.gz PZLLNBKLVQFNTF-UHFFFAOYSA-O 1 0 500.438 5.857 20 0 KKADRO CC(C)Oc1ccc(C(=O)C(C(=S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000749659998 1072911051 /nfs/dbraw/zinc/91/10/51/1072911051.db2.gz VPNYMACRSOPNAG-UHFFFAOYSA-O 1 0 500.591 5.232 20 0 KKADRO COc1cnc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2cc(Cl)ccc12 ZINC001165441244 1072913375 /nfs/dbraw/zinc/91/33/75/1072913375.db2.gz CNQLJQSIFZPXPE-UHFFFAOYSA-N 1 0 500.006 5.140 20 0 KKADRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000068246405 562716157 /nfs/dbraw/zinc/71/61/57/562716157.db2.gz PGSRKJVMAOWDEC-SXOMAYOGSA-N 1 0 647.043 6.881 20 0 KKADRO CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)s1 ZINC000027182197 1071051813 /nfs/dbraw/zinc/05/18/13/1071051813.db2.gz CBTGAPRKZQWRMA-UHFFFAOYSA-O 1 0 500.669 5.313 20 0 KKADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2ccc(NC(=O)C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027178011 1071051845 /nfs/dbraw/zinc/05/18/45/1071051845.db2.gz AMXUBFFXAWWAOF-UHFFFAOYSA-O 1 0 500.688 6.115 20 0 KKADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)Nc2cc(C)cc(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000027186187 1071051858 /nfs/dbraw/zinc/05/18/58/1071051858.db2.gz RJASZQVZGXDFLC-UHFFFAOYSA-O 1 0 500.688 5.199 20 0 KKADRO CCc1cccc(NC(=S)C(C(=O)c2ccc(CCNC(C)=O)cc2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000027294535 1071052418 /nfs/dbraw/zinc/05/24/18/1071052418.db2.gz CCDSSGMVMIQEAL-UHFFFAOYSA-O 1 0 500.688 5.145 20 0 KKADRO O=C(c1ccc(Cl)c(Cl)c1)C(C(=S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1 ZINC000028782840 1071121913 /nfs/dbraw/zinc/12/19/13/1071121913.db2.gz RDKDISHCFLTUJT-UHFFFAOYSA-O 1 0 500.349 5.843 20 0 KKADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000912806269 1071177906 /nfs/dbraw/zinc/17/79/06/1071177906.db2.gz KVMMDGGETWTSLV-UHFFFAOYSA-O 1 0 500.688 6.339 20 0 KKADRO CCc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000728040941 1071279424 /nfs/dbraw/zinc/27/94/24/1071279424.db2.gz MRGDCXVVNTYFFD-SFHVURJKSA-O 1 0 500.644 5.458 20 0 KKADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000728045682 1071279987 /nfs/dbraw/zinc/27/99/87/1071279987.db2.gz XTFZMYLAADYEBC-GOSISDBHSA-O 1 0 500.644 5.458 20 0 KKADRO C[C@H](NC(=S)C(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1ccc2c(c1)CCCC2)c1ccccc1 ZINC000728045689 1071280018 /nfs/dbraw/zinc/28/00/18/1071280018.db2.gz XVYVBWHRMNSKHZ-OALUTQOASA-O 1 0 500.644 5.134 20 0 KKADRO Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)[n+]2ccc3c(c2)CCCC3)c1C ZINC000728044631 1071280028 /nfs/dbraw/zinc/28/00/28/1071280028.db2.gz ZPMNISCXYKYSBJ-LJQANCHMSA-O 1 0 500.644 5.512 20 0 KKADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000746020100 1071289013 /nfs/dbraw/zinc/28/90/13/1071289013.db2.gz BJVURZMIOMJHCY-UHFFFAOYSA-O 1 0 500.471 6.932 20 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