smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000641804 557032898 /nfs/dbraw/zinc/03/28/98/557032898.db2.gz HPYRQJQOBVOVDK-UHFFFAOYSA-N 0 2 401.098 5.110 50 0 HKAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000679328 557055090 /nfs/dbraw/zinc/05/50/90/557055090.db2.gz IRNNFZWJRKUOIZ-UHFFFAOYSA-N 0 2 410.109 5.133 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843889 557098330 /nfs/dbraw/zinc/09/83/30/557098330.db2.gz QGVMZODZFSNDHL-QFIPXVFZSA-N 0 2 419.406 5.845 50 0 aggregator HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843890 557098354 /nfs/dbraw/zinc/09/83/54/557098354.db2.gz QGVMZODZFSNDHL-JOCHJYFZSA-N 0 2 419.406 5.845 50 0 aggregator HKAALN Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000874659 568732997 /nfs/dbraw/zinc/73/29/97/568732997.db2.gz DPPAVCNOAUWULI-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000000982404 568760356 /nfs/dbraw/zinc/76/03/56/568760356.db2.gz VREQEOJWDZPEIQ-PDGQHHTCSA-N 0 2 421.250 5.109 50 0 HKAALN O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000001011722 557142009 /nfs/dbraw/zinc/14/20/09/557142009.db2.gz QVOQMTMVDHSFFM-MLPAPPSSSA-N 0 2 400.670 5.593 50 0 HKAALN O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000001011848 557141986 /nfs/dbraw/zinc/14/19/86/557141986.db2.gz UHMOFVUAZMUJEP-QPEQYQDCSA-N 0 2 400.670 5.593 50 0 HKAALN CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1csc(-c2ccccc2)n1 ZINC000001014121 568763143 /nfs/dbraw/zinc/76/31/43/568763143.db2.gz GEQNEXVTPOFQQD-UHFFFAOYSA-N 0 2 421.474 5.028 50 0 HKAALN COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024943 557144808 /nfs/dbraw/zinc/14/48/08/557144808.db2.gz FBLBNTOHNIGSQB-QHCPKHFHSA-N 0 2 415.880 5.489 50 0 HKAALN COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024944 557144794 /nfs/dbraw/zinc/14/47/94/557144794.db2.gz FBLBNTOHNIGSQB-HSZRJFAPSA-N 0 2 415.880 5.489 50 0 HKAALN CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 ZINC000001025495 569029713 /nfs/dbraw/zinc/02/97/13/569029713.db2.gz XJOCRCVEBVGUTO-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000001034015 132235453 /nfs/dbraw/zinc/23/54/53/132235453.db2.gz CFJACDALIPPACZ-UHFFFAOYSA-N 0 2 420.987 5.654 50 0 HKAALN CC(C)(C)c1cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(=O)n2[nH]1 ZINC000001038726 569276981 /nfs/dbraw/zinc/27/69/81/569276981.db2.gz APGIZLUAGAODEM-UHFFFAOYSA-N 0 2 403.326 5.025 50 0 HKAALN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001040576 557153137 /nfs/dbraw/zinc/15/31/37/557153137.db2.gz KOYCZKMBDOUKBV-UHFFFAOYSA-N 0 2 416.749 5.426 50 0 HKAALN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001040624 557153115 /nfs/dbraw/zinc/15/31/15/557153115.db2.gz HFEGJPBHMMKGMP-UHFFFAOYSA-N 0 2 406.743 5.971 50 0 HKAALN CC(C)c1ccc(S(=O)(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1 ZINC000001043432 557154650 /nfs/dbraw/zinc/15/46/50/557154650.db2.gz FYGLTZAUGHMXOD-UHFFFAOYSA-N 0 2 402.903 5.452 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001043437 557154515 /nfs/dbraw/zinc/15/45/15/557154515.db2.gz SSRXPQHIXRFDON-UHFFFAOYSA-N 0 2 423.321 5.077 50 0 HKAALN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000001048771 557158130 /nfs/dbraw/zinc/15/81/30/557158130.db2.gz KMQKUAXDQBBISO-UHFFFAOYSA-N 0 2 424.353 5.277 50 0 HKAALN COc1ccc(NC(=S)Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000001052251 568765229 /nfs/dbraw/zinc/76/52/29/568765229.db2.gz HTBVKWIUYLFPJS-UHFFFAOYSA-N 0 2 406.507 5.340 50 0 HKAALN O=C(Nc1ccc(F)cc1)c1cccc(OC(=S)Nc2ccc(Cl)cc2)c1 ZINC000001052287 568765299 /nfs/dbraw/zinc/76/52/99/568765299.db2.gz PVJUNGNAGOMHPI-UHFFFAOYSA-N 0 2 400.862 5.507 50 0 HKAALN COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000001073221 557171304 /nfs/dbraw/zinc/17/13/04/557171304.db2.gz VTIISQSRTCDJGP-UHFFFAOYSA-N 0 2 403.887 5.250 50 0 HKAALN Cc1ccccc1NC(=S)Oc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000001097673 557178468 /nfs/dbraw/zinc/17/84/68/557178468.db2.gz FOQHJDJTZOHPEO-UHFFFAOYSA-N 0 2 412.514 6.176 50 0 HKAALN COc1ccccc1[C@H]1c2c([nH]nc2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097735 568769779 /nfs/dbraw/zinc/76/97/79/568769779.db2.gz NRHYIFUEKFEVOU-DEOSSOPVSA-N 0 2 413.452 5.283 50 0 HKAALN COc1ccccc1[C@@H]1c2c([nH]nc2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097736 568769790 /nfs/dbraw/zinc/76/97/90/568769790.db2.gz NRHYIFUEKFEVOU-XMMPIXPASA-N 0 2 413.452 5.283 50 0 HKAALN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccccc1SC ZINC000001120654 557190673 /nfs/dbraw/zinc/19/06/73/557190673.db2.gz BPLVHHXJBQMZNL-UHFFFAOYSA-N 0 2 414.577 5.733 50 0 HKAALN O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccccc1Cl ZINC000001140557 557203504 /nfs/dbraw/zinc/20/35/04/557203504.db2.gz VXXPTEAORHWTPZ-QPEQYQDCSA-N 0 2 400.670 5.593 50 0 HKAALN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1 ZINC000001148227 560727383 /nfs/dbraw/zinc/72/73/83/560727383.db2.gz GISSFGIHHRVFIJ-UHFFFAOYSA-N 0 2 410.314 5.104 50 0 HKAALN Cc1cc(C(F)(F)F)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000001312205 557254866 /nfs/dbraw/zinc/25/48/66/557254866.db2.gz LIAAVOGSYUPGLI-UHFFFAOYSA-N 0 2 415.806 5.811 50 0 HKAALN Cc1ccc(Cn2c[nH+]c3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001388512 568923032 /nfs/dbraw/zinc/92/30/32/568923032.db2.gz LQIZNLYXYFMRRD-UHFFFAOYSA-N 0 2 419.550 5.119 50 0 HKAALN Cc1cc2c([nH+]cn2C(C)C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000001388514 568923090 /nfs/dbraw/zinc/92/30/90/568923090.db2.gz SMYIIAYYFUTYMM-UHFFFAOYSA-N 0 2 412.342 5.342 50 0 HKAALN Cc1cc2c([nH+]cn2C(C)C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000001388523 568923040 /nfs/dbraw/zinc/92/30/40/568923040.db2.gz WKKQTQKKPCCGQQ-UHFFFAOYSA-N 0 2 411.449 5.054 50 0 HKAALN Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000001388523 568923043 /nfs/dbraw/zinc/92/30/43/568923043.db2.gz WKKQTQKKPCCGQQ-UHFFFAOYSA-N 0 2 411.449 5.054 50 0 HKAALN Cc1cc2c([nH+]cn2C(C)C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000001388526 568923188 /nfs/dbraw/zinc/92/31/88/568923188.db2.gz WIALLEQSEVHITI-UHFFFAOYSA-N 0 2 412.342 5.342 50 0 HKAALN Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000001388526 568923189 /nfs/dbraw/zinc/92/31/89/568923189.db2.gz WIALLEQSEVHITI-UHFFFAOYSA-N 0 2 412.342 5.342 50 0 HKAALN CCCn1c[nH+]c2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001388581 568923171 /nfs/dbraw/zinc/92/31/71/568923171.db2.gz CICTVANHMBODFT-UHFFFAOYSA-N 0 2 412.342 5.171 50 0 HKAALN CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413237 568933459 /nfs/dbraw/zinc/93/34/59/568933459.db2.gz INRHULGQWZLFJT-DEOSSOPVSA-N 0 2 413.452 5.364 50 0 HKAALN CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413238 568933411 /nfs/dbraw/zinc/93/34/11/568933411.db2.gz INRHULGQWZLFJT-XMMPIXPASA-N 0 2 413.452 5.364 50 0 HKAALN O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)Nc2ccc(F)cc2)c1 ZINC000001421687 568938334 /nfs/dbraw/zinc/93/83/34/568938334.db2.gz AILZDLGGAJSCHF-UHFFFAOYSA-N 0 2 400.862 5.507 50 0 HKAALN Cc1ccc(Nc2nc3cc(C)ccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001431094 568940015 /nfs/dbraw/zinc/94/00/15/568940015.db2.gz LWUKVSSPYKNTIB-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN COc1ccc(NC(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000001437753 568964614 /nfs/dbraw/zinc/96/46/14/568964614.db2.gz PXATUIXYUBDWTI-UHFFFAOYSA-N 0 2 412.898 5.377 50 0 HKAALN COc1ccc(NC(=S)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000001444699 568982227 /nfs/dbraw/zinc/98/22/27/568982227.db2.gz ZIZBTDMPHARYJA-UHFFFAOYSA-N 0 2 412.898 5.377 50 0 HKAALN Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2O)cc1Br ZINC000001504071 557270787 /nfs/dbraw/zinc/27/07/87/557270787.db2.gz KMROVZXIEIXPTH-UHFFFAOYSA-N 0 2 419.500 5.131 50 0 HKAALN Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1O ZINC000001679491 557280139 /nfs/dbraw/zinc/28/01/39/557280139.db2.gz FXHQZEJEBWTOJA-UHFFFAOYSA-N 0 2 409.696 5.945 50 0 in-vitro HKAALN Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001776148 569052601 /nfs/dbraw/zinc/05/26/01/569052601.db2.gz CFTHJKZQZYEVBI-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000001858907 569056660 /nfs/dbraw/zinc/05/66/60/569056660.db2.gz VXJLFLUUPUTNFH-VMPITWQZSA-N 0 2 409.338 5.349 50 0 HKAALN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000002150231 557319644 /nfs/dbraw/zinc/31/96/44/557319644.db2.gz PQULGZQSQLHCIT-UHFFFAOYSA-N 0 2 409.760 5.240 50 0 HKAALN CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1 ZINC000002210469 569306969 /nfs/dbraw/zinc/30/69/69/569306969.db2.gz IZFZEPARVQUEQT-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1 ZINC000002216745 557327823 /nfs/dbraw/zinc/32/78/23/557327823.db2.gz DNCPRBICKOZQSI-SFHVURJKSA-N 0 2 409.493 5.001 50 0 HKAALN Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1 ZINC000002216746 557327871 /nfs/dbraw/zinc/32/78/71/557327871.db2.gz DNCPRBICKOZQSI-GOSISDBHSA-N 0 2 409.493 5.001 50 0 HKAALN CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 ZINC000002244733 569323840 /nfs/dbraw/zinc/32/38/40/569323840.db2.gz SOLCKIBEFSXISX-LJQANCHMSA-N 0 2 423.520 5.255 50 0 HKAALN CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 ZINC000002244734 569323833 /nfs/dbraw/zinc/32/38/33/569323833.db2.gz SOLCKIBEFSXISX-IBGZPJMESA-N 0 2 423.520 5.255 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1 ZINC000002270527 569326521 /nfs/dbraw/zinc/32/65/21/569326521.db2.gz QDJLSNLGKDNZRB-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)cc1 ZINC000002270646 569326532 /nfs/dbraw/zinc/32/65/32/569326532.db2.gz RZPFLAKJDOOOQO-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C)c2C)cc1 ZINC000002270654 569326514 /nfs/dbraw/zinc/32/65/14/569326514.db2.gz WDDUUWSOHUFESJ-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1Cl ZINC000002388785 569392536 /nfs/dbraw/zinc/39/25/36/569392536.db2.gz RRVRXUDSLSWJBP-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN CC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 ZINC000002394413 569394221 /nfs/dbraw/zinc/39/42/21/569394221.db2.gz DELVAOYYHVDIIE-UHFFFAOYSA-N 0 2 418.522 5.298 50 0 HKAALN Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000002398327 569394571 /nfs/dbraw/zinc/39/45/71/569394571.db2.gz MZXNDEHMDKRCKF-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000002403410 569395769 /nfs/dbraw/zinc/39/57/69/569395769.db2.gz JHEWVYWNHJRFNQ-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2cc1C ZINC000002404776 557345029 /nfs/dbraw/zinc/34/50/29/557345029.db2.gz QDFLWAACJSMDMP-GOSISDBHSA-N 0 2 409.493 5.001 50 0 HKAALN Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2cc1C ZINC000002404777 557344946 /nfs/dbraw/zinc/34/49/46/557344946.db2.gz QDFLWAACJSMDMP-SFHVURJKSA-N 0 2 409.493 5.001 50 0 HKAALN Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002405374 569395946 /nfs/dbraw/zinc/39/59/46/569395946.db2.gz FDKMEPKPBLRQND-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 ZINC000002405901 569396140 /nfs/dbraw/zinc/39/61/40/569396140.db2.gz MSSYMDQLBRZHFU-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 ZINC000002411252 569396832 /nfs/dbraw/zinc/39/68/32/569396832.db2.gz WUMFSWXGYNAZNJ-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)c1 ZINC000002421220 569398113 /nfs/dbraw/zinc/39/81/13/569398113.db2.gz MBNYSAGBAPVKON-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)ccc2C)c1 ZINC000002422604 569398224 /nfs/dbraw/zinc/39/82/24/569398224.db2.gz UIGVLZDIRCOUIJ-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000002424909 569398491 /nfs/dbraw/zinc/39/84/91/569398491.db2.gz AQXNLYKQRIZIPR-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000002428629 569398813 /nfs/dbraw/zinc/39/88/13/569398813.db2.gz XIDTWLUOTHCSTE-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000002431576 569399163 /nfs/dbraw/zinc/39/91/63/569399163.db2.gz IPSQPWISSQQTAB-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 ZINC000002438355 569400020 /nfs/dbraw/zinc/40/00/20/569400020.db2.gz GOZFTIOJCBPSNU-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1 ZINC000002576322 557357770 /nfs/dbraw/zinc/35/77/70/557357770.db2.gz SPJWRQCARFHMEB-UHFFFAOYSA-N 0 2 420.246 5.317 50 0 in-vitro HKAALN CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000002589988 557358885 /nfs/dbraw/zinc/35/88/85/557358885.db2.gz MJXSYCNCNTXTAH-UHFFFAOYSA-N 0 2 418.950 5.076 50 0 HKAALN CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000002604835 557359565 /nfs/dbraw/zinc/35/95/65/557359565.db2.gz NAJHIUGEDTUGTE-UHFFFAOYSA-N 0 2 412.559 5.040 50 0 HKAALN Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1 ZINC000002660072 568798683 /nfs/dbraw/zinc/79/86/83/568798683.db2.gz AUMVNBHOPUIZEI-UHFFFAOYSA-N 0 2 415.927 5.121 50 0 HKAALN CSc1nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000002662659 568799467 /nfs/dbraw/zinc/79/94/67/568799467.db2.gz NNLPRDFLHLZBIJ-UHFFFAOYSA-N 0 2 405.353 5.126 50 0 aggregator HKAALN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002757133 557380398 /nfs/dbraw/zinc/38/03/98/557380398.db2.gz PKUAAFXLWNTKBM-UHFFFAOYSA-N 0 2 402.706 5.251 50 0 HKAALN Cc1ccc(-c2cc(C(F)F)nc3sc4c([nH]c(-c5ccncc5)nc4=O)c32)cc1 ZINC000002785606 557758961 /nfs/dbraw/zinc/75/89/61/557758961.db2.gz FBMMHKLQVBHITH-UHFFFAOYSA-N 0 2 420.444 5.508 50 0 HKAALN COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc(C)c3)sc1C2 ZINC000002829284 557397782 /nfs/dbraw/zinc/39/77/82/557397782.db2.gz NARYBQNGMQIVFO-UHFFFAOYSA-N 0 2 415.312 5.046 50 0 HKAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000002837669 557399582 /nfs/dbraw/zinc/39/95/82/557399582.db2.gz JCIPPXGJESQMKC-UHFFFAOYSA-N 0 2 417.317 5.493 50 0 HKAALN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000002837695 557399608 /nfs/dbraw/zinc/39/96/08/557399608.db2.gz RPBIZLAZGMTNBL-UHFFFAOYSA-N 0 2 413.326 5.005 50 0 HKAALN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000002868470 557413604 /nfs/dbraw/zinc/41/36/04/557413604.db2.gz QXUYTGXODSUVQS-UHFFFAOYSA-N 0 2 409.096 5.804 50 0 HKAALN Fc1ccccc1Nc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000002890614 557770225 /nfs/dbraw/zinc/77/02/25/557770225.db2.gz DCGPBAXMEJLXMN-UHFFFAOYSA-N 0 2 400.276 6.004 50 0 HKAALN Cc1ccccc1Oc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1 ZINC000002890644 557770229 /nfs/dbraw/zinc/77/02/29/557770229.db2.gz GFOMCSSRMJZLIB-UHFFFAOYSA-N 0 2 421.440 5.545 50 0 HKAALN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(CC(F)(F)F)c1ccccc1 ZINC000002890651 557770318 /nfs/dbraw/zinc/77/03/18/557770318.db2.gz DMKCEFKUIVONLY-UHFFFAOYSA-N 0 2 417.758 5.116 50 0 HKAALN Cc1ccc(-c2ccc(S(=O)(=O)N(CC(F)(F)F)c3ccccc3)cc2)cc1 ZINC000002890652 557770336 /nfs/dbraw/zinc/77/03/36/557770336.db2.gz WSDPGHNLQYNBIP-UHFFFAOYSA-N 0 2 405.441 5.420 50 0 HKAALN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000002917607 557770254 /nfs/dbraw/zinc/77/02/54/557770254.db2.gz AVYHLOWWJHPFOO-UHFFFAOYSA-N 0 2 409.458 5.263 50 0 HKAALN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1Cl ZINC000002917651 557770289 /nfs/dbraw/zinc/77/02/89/557770289.db2.gz JKLJBSGCZABFES-UHFFFAOYSA-N 0 2 410.351 5.551 50 0 HKAALN CCN(CCCn1c(=O)c2sc3ccccc3c2[nH]c1=S)c1cccc(C)c1 ZINC000002961734 568830452 /nfs/dbraw/zinc/83/04/52/568830452.db2.gz LVLAUKIHWAUZFX-UHFFFAOYSA-N 0 2 409.580 5.499 50 0 HKAALN CCCCCCc1cc2c(cc1O)occ(-c1csc(-c3ccccc3)n1)c2=O ZINC000003071733 568853782 /nfs/dbraw/zinc/85/37/82/568853782.db2.gz LVJHWKBAUCZONM-UHFFFAOYSA-N 0 2 405.519 6.412 50 0 biogenic HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2C)cc1 ZINC000003075039 558711999 /nfs/dbraw/zinc/71/19/99/558711999.db2.gz HMVLFGAHWQXAKN-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1ccc(NC(=O)c2cccc(OC(=S)Nc3ccc4ccccc4c3)c2)cc1 ZINC000003079489 557445242 /nfs/dbraw/zinc/44/52/42/557445242.db2.gz YKZWIOIQLSBZPY-UHFFFAOYSA-N 0 2 412.514 6.176 50 0 HKAALN Cc1cccc(NC(=O)c2ccc(OC(=S)Nc3ccc(N(C)C)cc3)cc2)c1C ZINC000003079594 557445271 /nfs/dbraw/zinc/44/52/71/557445271.db2.gz HDSUTSPVRQJQGS-UHFFFAOYSA-N 0 2 419.550 5.398 50 0 HKAALN O=C(Nc1cccc2ccccc21)c1ccc(OC(=S)Nc2ccc(F)cc2)cc1 ZINC000003082560 568854319 /nfs/dbraw/zinc/85/43/19/568854319.db2.gz IMQJQJFYVFLHRK-UHFFFAOYSA-N 0 2 416.477 6.007 50 0 HKAALN O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)Nc2ccc(Cl)cc2)c1 ZINC000003088943 558747876 /nfs/dbraw/zinc/74/78/76/558747876.db2.gz BENULXUVMSXKDH-UHFFFAOYSA-N 0 2 417.317 6.022 50 0 HKAALN Cc1ccc(NC(=S)Oc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000003088985 568854578 /nfs/dbraw/zinc/85/45/78/568854578.db2.gz QGZWOVBPLJPPAR-UHFFFAOYSA-N 0 2 412.514 6.176 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1 ZINC000003100791 568855354 /nfs/dbraw/zinc/85/53/54/568855354.db2.gz QZGYZZPIUKKSHP-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003104101 568855572 /nfs/dbraw/zinc/85/55/72/568855572.db2.gz KHEBGFOCEDPDIJ-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN FC(F)(F)c1cc(NC(=S)Sc2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000003135248 557449701 /nfs/dbraw/zinc/44/97/01/557449701.db2.gz MUGTVCAEQOWWCD-UHFFFAOYSA-N 0 2 415.811 6.867 50 0 HKAALN CCc1cc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2cc1O ZINC000003187238 557454397 /nfs/dbraw/zinc/45/43/97/557454397.db2.gz BNVJTYTVXFXNBA-UHFFFAOYSA-N 0 2 400.352 6.025 50 0 HKAALN CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 ZINC000003220605 568847218 /nfs/dbraw/zinc/84/72/18/568847218.db2.gz WOPFXXWCASSRNB-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003220617 568847231 /nfs/dbraw/zinc/84/72/31/568847231.db2.gz WAAJDKXWPHYXPL-UHFFFAOYSA-N 0 2 418.522 5.045 50 0 HKAALN Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000003285153 568872365 /nfs/dbraw/zinc/87/23/65/568872365.db2.gz LTZFVAPRJUNTAV-UHFFFAOYSA-N 0 2 423.925 5.302 50 0 HKAALN Cc1ccccc1NC(=O)Sc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000003317375 568879615 /nfs/dbraw/zinc/87/96/15/568879615.db2.gz ZWMQADLJGHZSSW-UHFFFAOYSA-N 0 2 421.309 5.107 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1 ZINC000003321887 568854400 /nfs/dbraw/zinc/85/44/00/568854400.db2.gz IGAZCRMVNQSTBT-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN COc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)oc1ccccc12 ZINC000003329023 560593367 /nfs/dbraw/zinc/59/33/67/560593367.db2.gz RJSCHJRWGJYMJZ-UHFFFAOYSA-N 0 2 421.396 5.414 50 0 HKAALN COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)oc1ccccc12 ZINC000003329032 560593345 /nfs/dbraw/zinc/59/33/45/560593345.db2.gz HAKVUBQFMISKPF-UHFFFAOYSA-N 0 2 422.289 5.702 50 0 HKAALN COc1cc2c(cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)oc1ccccc12 ZINC000003349196 569278578 /nfs/dbraw/zinc/27/85/78/569278578.db2.gz MAWABLBXOSYEDJ-UHFFFAOYSA-N 0 2 421.396 5.414 50 0 HKAALN O=c1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)[nH]c2ccsc21 ZINC000003410276 560594273 /nfs/dbraw/zinc/59/42/73/560594273.db2.gz FGCXGXSTSHYELN-UHFFFAOYSA-N 0 2 417.515 5.599 50 0 HKAALN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)sc2c1 ZINC000003467682 557488943 /nfs/dbraw/zinc/48/89/43/557488943.db2.gz CKPUVRNVWBNZNL-UHFFFAOYSA-N 0 2 420.968 5.787 50 0 HKAALN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O ZINC000003630025 568921068 /nfs/dbraw/zinc/92/10/68/568921068.db2.gz RIEPLXXBVARWLM-UHFFFAOYSA-N 0 2 413.930 5.470 50 0 HKAALN O=C(NCCC1=CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O ZINC000003630033 568921064 /nfs/dbraw/zinc/92/10/64/568921064.db2.gz JLSOHIMCPRXEHV-UHFFFAOYSA-N 0 2 411.571 5.185 50 0 HKAALN CCCCCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]c1=S ZINC000003630049 569321144 /nfs/dbraw/zinc/32/11/44/569321144.db2.gz HBUNCDSNYNQZTB-UHFFFAOYSA-N 0 2 401.919 5.155 50 0 HKAALN Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C2CCCCC2)c3=O)cc1C ZINC000003631074 568921245 /nfs/dbraw/zinc/92/12/45/568921245.db2.gz KZKVIKFDYCKVJW-UHFFFAOYSA-N 0 2 407.539 5.433 50 0 HKAALN O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O ZINC000003631089 568921256 /nfs/dbraw/zinc/92/12/56/568921256.db2.gz NUWSKADSRQSZAB-UHFFFAOYSA-N 0 2 419.550 5.305 50 0 HKAALN CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2[nH]c1=S ZINC000003631158 568921413 /nfs/dbraw/zinc/92/14/13/568921413.db2.gz LDLGDWUXUMDDIN-UHFFFAOYSA-N 0 2 415.946 5.463 50 0 HKAALN CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH]c1=S ZINC000003631159 568865362 /nfs/dbraw/zinc/86/53/62/568865362.db2.gz AZLJMGADJXJTQP-UHFFFAOYSA-N 0 2 419.909 5.294 50 0 HKAALN O=C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 ZINC000004010513 557505107 /nfs/dbraw/zinc/50/51/07/557505107.db2.gz MDTNAUJUNYWLRJ-UHFFFAOYSA-N 0 2 408.436 5.091 50 0 HKAALN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)s1 ZINC000004036382 568935599 /nfs/dbraw/zinc/93/55/99/568935599.db2.gz PAOHYNLIPRBHPY-UHFFFAOYSA-N 0 2 415.565 5.091 50 0 HKAALN CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)s1 ZINC000004036392 568935510 /nfs/dbraw/zinc/93/55/10/568935510.db2.gz CMGYXRBBPNCVNY-UHFFFAOYSA-N 0 2 415.565 5.091 50 0 HKAALN COc1cccc2sc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)nc21 ZINC000004137632 568945582 /nfs/dbraw/zinc/94/55/82/568945582.db2.gz YCSVNMHJEIWBKG-UHFFFAOYSA-N 0 2 407.476 5.278 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5c(cccc5F)s4)sc3c2s1 ZINC000004137684 568945671 /nfs/dbraw/zinc/94/56/71/568945671.db2.gz VCNFWWFOMJIKQQ-UHFFFAOYSA-N 0 2 404.542 6.120 50 0 HKAALN COc1ccc2nc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)sc2c1 ZINC000004137734 568945622 /nfs/dbraw/zinc/94/56/22/568945622.db2.gz RXPVCTSZKJIGNR-UHFFFAOYSA-N 0 2 407.476 5.278 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5ccc(F)cc5s4)sc3c2s1 ZINC000004137785 568945647 /nfs/dbraw/zinc/94/56/47/568945647.db2.gz TXFQQDGPTNPNAV-UHFFFAOYSA-N 0 2 404.542 6.120 50 0 HKAALN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C2CCCCC2)c3=O)[C@@H]1C ZINC000004192262 568950391 /nfs/dbraw/zinc/95/03/91/568950391.db2.gz QEMPFZUUBGDTRZ-CLCXKQKWSA-N 0 2 413.587 5.119 50 0 HKAALN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C2CCCCC2)c3=O)[C@@H]1C ZINC000004192267 568950490 /nfs/dbraw/zinc/95/04/90/568950490.db2.gz QEMPFZUUBGDTRZ-SPYBWZPUSA-N 0 2 413.587 5.119 50 0 HKAALN Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2cc1C ZINC000004488276 557559186 /nfs/dbraw/zinc/55/91/86/557559186.db2.gz BZHUVLZAXBOBFY-HNNXBMFYSA-N 0 2 415.522 5.063 50 0 HKAALN Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2cc1C ZINC000004488277 557559220 /nfs/dbraw/zinc/55/92/20/557559220.db2.gz BZHUVLZAXBOBFY-OAHLLOKOSA-N 0 2 415.522 5.063 50 0 HKAALN CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3cc(Cl)cc(Cl)c3O)nc21 ZINC000004535335 557564264 /nfs/dbraw/zinc/56/42/64/557564264.db2.gz XUEJGXYKPLKYAJ-UHFFFAOYSA-N 0 2 408.325 6.808 50 0 HKAALN O=c1cc(O)[nH]c2c1sc1nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12 ZINC000004620449 557573388 /nfs/dbraw/zinc/57/33/88/557573388.db2.gz COTDOTVXILERMI-UHFFFAOYSA-N 0 2 404.878 5.831 50 0 HKAALN CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000004623277 558885751 /nfs/dbraw/zinc/88/57/51/558885751.db2.gz MWGJWGHORZGZAA-DEOSSOPVSA-N 0 2 413.452 5.364 50 0 HKAALN CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 ZINC000004625149 558888470 /nfs/dbraw/zinc/88/84/70/558888470.db2.gz MWGJWGHORZGZAA-XMMPIXPASA-N 0 2 413.452 5.364 50 0 HKAALN COc1ccc(-c2cc(-c3cccs3)c3c(n2)sc2c3[nH]c(=O)cc2O)cc1 ZINC000004625851 558890042 /nfs/dbraw/zinc/89/00/42/558890042.db2.gz YLRBEPAHJXRCIQ-UHFFFAOYSA-N 0 2 406.488 5.248 50 0 HKAALN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000004660842 557577680 /nfs/dbraw/zinc/57/76/80/557577680.db2.gz IUBFWYHEJLBMHC-CQSZACIVSA-N 0 2 403.569 5.836 50 0 HKAALN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000004660843 557577697 /nfs/dbraw/zinc/57/76/97/557577697.db2.gz IUBFWYHEJLBMHC-AWEZNQCLSA-N 0 2 403.569 5.836 50 0 HKAALN CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1 ZINC000004660909 557577866 /nfs/dbraw/zinc/57/78/66/557577866.db2.gz LWIQALLGKPGYHM-UHFFFAOYSA-N 0 2 414.398 6.389 50 0 HKAALN COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)ccc1O ZINC000004733488 559034445 /nfs/dbraw/zinc/03/44/45/559034445.db2.gz SGKPVPAAKIBNKZ-UHFFFAOYSA-N 0 2 400.265 5.766 50 0 HKAALN CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733491 559034482 /nfs/dbraw/zinc/03/44/82/559034482.db2.gz TXFYJSVPURVGKG-UHFFFAOYSA-N 0 2 400.334 6.774 50 0 HKAALN Cc1ccn2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc(Cl)cc1 ZINC000004733514 559034434 /nfs/dbraw/zinc/03/44/34/559034434.db2.gz ARSHASYRJMVIPC-UHFFFAOYSA-N 0 2 418.928 5.543 50 0 HKAALN CSc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1 ZINC000004733567 559034486 /nfs/dbraw/zinc/03/44/86/559034486.db2.gz MALOUXMRDZCJNP-UHFFFAOYSA-N 0 2 416.388 6.230 50 0 HKAALN Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2ccc(Br)cn21 ZINC000004733577 559034488 /nfs/dbraw/zinc/03/44/88/559034488.db2.gz MVGPEWQNZXUIPX-UHFFFAOYSA-N 0 2 410.290 6.263 50 0 HKAALN Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2ncccn21 ZINC000004735149 559034501 /nfs/dbraw/zinc/03/45/01/559034501.db2.gz UUGKBJVVRSSVKC-UHFFFAOYSA-N 0 2 409.287 5.225 50 0 HKAALN CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc21 ZINC000004735748 559034733 /nfs/dbraw/zinc/03/47/33/559034733.db2.gz CFRXLZALYXIRTF-UHFFFAOYSA-N 0 2 421.540 5.259 50 0 HKAALN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000004735757 559034713 /nfs/dbraw/zinc/03/47/13/559034713.db2.gz JGRBKGITJSQXSZ-OAHLLOKOSA-N 0 2 417.596 6.145 50 0 HKAALN CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4cccs4)cc3c2C1 ZINC000004735758 559034773 /nfs/dbraw/zinc/03/47/73/559034773.db2.gz JGRBKGITJSQXSZ-HNNXBMFYSA-N 0 2 417.596 6.145 50 0 HKAALN Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 ZINC000004777054 557597201 /nfs/dbraw/zinc/59/72/01/557597201.db2.gz CGILGDFOAFWMQV-LJQANCHMSA-N 0 2 423.520 5.310 50 0 HKAALN Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 ZINC000004777118 557597134 /nfs/dbraw/zinc/59/71/34/557597134.db2.gz IHPPURCUCMQARZ-GOSISDBHSA-N 0 2 409.493 5.001 50 0 HKAALN Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 ZINC000004777119 557597102 /nfs/dbraw/zinc/59/71/02/557597102.db2.gz IHPPURCUCMQARZ-SFHVURJKSA-N 0 2 409.493 5.001 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813292 559069647 /nfs/dbraw/zinc/06/96/47/559069647.db2.gz SNGQMLJBBKWJID-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813293 559069634 /nfs/dbraw/zinc/06/96/34/559069634.db2.gz SNGQMLJBBKWJID-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813454 559069640 /nfs/dbraw/zinc/06/96/40/559069640.db2.gz ZEQIOYXUTSVFSF-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813455 559069622 /nfs/dbraw/zinc/06/96/22/559069622.db2.gz ZEQIOYXUTSVFSF-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870810 559194287 /nfs/dbraw/zinc/19/42/87/559194287.db2.gz PGPJWQDSUHSNJA-HSZRJFAPSA-N 0 2 415.880 5.489 50 0 HKAALN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870811 559194360 /nfs/dbraw/zinc/19/43/60/559194360.db2.gz PGPJWQDSUHSNJA-QHCPKHFHSA-N 0 2 415.880 5.489 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870913 559194329 /nfs/dbraw/zinc/19/43/29/559194329.db2.gz YGPZMEPVHQSGGQ-HSZRJFAPSA-N 0 2 401.416 5.413 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870914 559194367 /nfs/dbraw/zinc/19/43/67/559194367.db2.gz YGPZMEPVHQSGGQ-QHCPKHFHSA-N 0 2 401.416 5.413 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914204 559203193 /nfs/dbraw/zinc/20/31/93/559203193.db2.gz TZHFRWYIJQYPOW-JOCHJYFZSA-N 0 2 400.869 5.183 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914218 559203247 /nfs/dbraw/zinc/20/32/47/559203247.db2.gz TZHFRWYIJQYPOW-QFIPXVFZSA-N 0 2 400.869 5.183 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000004914286 559203211 /nfs/dbraw/zinc/20/32/11/559203211.db2.gz VXIGITDVCSYTLA-JOCHJYFZSA-N 0 2 400.869 5.183 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000004914287 559203185 /nfs/dbraw/zinc/20/31/85/559203185.db2.gz VXIGITDVCSYTLA-QFIPXVFZSA-N 0 2 400.869 5.183 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928643 559208488 /nfs/dbraw/zinc/20/84/88/559208488.db2.gz VHYWLZDNQWMGFY-XMMPIXPASA-N 0 2 413.908 6.097 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928646 559208396 /nfs/dbraw/zinc/20/83/96/559208396.db2.gz VHYWLZDNQWMGFY-DEOSSOPVSA-N 0 2 413.908 6.097 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928650 559208443 /nfs/dbraw/zinc/20/84/43/559208443.db2.gz QHGRDJGNASMCOT-HSZRJFAPSA-N 0 2 415.880 5.494 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928652 559208468 /nfs/dbraw/zinc/20/84/68/559208468.db2.gz QHGRDJGNASMCOT-QHCPKHFHSA-N 0 2 415.880 5.494 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928654 559208475 /nfs/dbraw/zinc/20/84/75/559208475.db2.gz COXZCPOBFRGWHJ-OAQYLSRUSA-N 0 2 405.910 5.850 50 0 aggregator HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928656 559208500 /nfs/dbraw/zinc/20/85/00/559208500.db2.gz COXZCPOBFRGWHJ-NRFANRHFSA-N 0 2 405.910 5.850 50 0 aggregator HKAALN Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928782 559208563 /nfs/dbraw/zinc/20/85/63/559208563.db2.gz FLSRZZPGKBDWRP-XMMPIXPASA-N 0 2 413.908 6.097 50 0 HKAALN Cc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928785 559208592 /nfs/dbraw/zinc/20/85/92/559208592.db2.gz FLSRZZPGKBDWRP-DEOSSOPVSA-N 0 2 413.908 6.097 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000004928793 559208553 /nfs/dbraw/zinc/20/85/53/559208553.db2.gz PUPHTMFZUPWQNE-HSZRJFAPSA-N 0 2 415.880 5.494 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000004928795 559208538 /nfs/dbraw/zinc/20/85/38/559208538.db2.gz PUPHTMFZUPWQNE-QHCPKHFHSA-N 0 2 415.880 5.494 50 0 HKAALN CC(C)c1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000004933860 559210996 /nfs/dbraw/zinc/21/09/96/559210996.db2.gz MENMSPRRDBOZSF-RUZDIDTESA-N 0 2 411.480 6.089 50 0 HKAALN CC(C)c1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000004933865 559210961 /nfs/dbraw/zinc/21/09/61/559210961.db2.gz MENMSPRRDBOZSF-VWLOTQADSA-N 0 2 411.480 6.089 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933910 559210953 /nfs/dbraw/zinc/21/09/53/559210953.db2.gz AQOPCDLFAIPWGT-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933919 559211010 /nfs/dbraw/zinc/21/10/10/559211010.db2.gz AQOPCDLFAIPWGT-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936048 559210770 /nfs/dbraw/zinc/21/07/70/559210770.db2.gz NGQDIDBSBLGUJW-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936050 559210737 /nfs/dbraw/zinc/21/07/37/559210737.db2.gz NGQDIDBSBLGUJW-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN CCOc1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000004955055 559216465 /nfs/dbraw/zinc/21/64/65/559216465.db2.gz CHZKWVBRWRDWRN-XMMPIXPASA-N 0 2 413.452 5.364 50 0 HKAALN CCOc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 ZINC000004955057 559216516 /nfs/dbraw/zinc/21/65/16/559216516.db2.gz CHZKWVBRWRDWRN-DEOSSOPVSA-N 0 2 413.452 5.364 50 0 HKAALN c1ccc(-c2nnc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1 ZINC000005003392 559226733 /nfs/dbraw/zinc/22/67/33/559226733.db2.gz FSQGEVYLLGIEMV-UHFFFAOYSA-N 0 2 403.485 6.141 50 0 HKAALN CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C ZINC000005017228 559228573 /nfs/dbraw/zinc/22/85/73/559228573.db2.gz GMCLXLYNHZZDFU-UHFFFAOYSA-N 0 2 412.559 5.040 50 0 HKAALN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)cc(C)c2)cc1 ZINC000005021688 559229298 /nfs/dbraw/zinc/22/92/98/559229298.db2.gz PSABISUQIHWTTP-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN COc1cc2c(cc1NS(=O)(=O)c1ccc3ccccc3c1)oc1ccccc12 ZINC000005090910 557634629 /nfs/dbraw/zinc/63/46/29/557634629.db2.gz DZZBIJSRKGOXDS-UHFFFAOYSA-N 0 2 403.459 5.549 50 0 HKAALN CSc1cccc2sc(Nc3nc4ccc5nc(C)sc5c4s3)nc21 ZINC000005122742 559248031 /nfs/dbraw/zinc/24/80/31/559248031.db2.gz PCDGUYGLHUOTGE-UHFFFAOYSA-N 0 2 400.579 6.290 50 0 HKAALN CSc1cccc2sc(Nc3nc4ccc5sc(C)nc5c4s3)nc21 ZINC000005122833 559248027 /nfs/dbraw/zinc/24/80/27/559248027.db2.gz NYTCCPPPHQACEC-UHFFFAOYSA-N 0 2 400.579 6.290 50 0 HKAALN CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C ZINC000005180297 559289341 /nfs/dbraw/zinc/28/93/41/559289341.db2.gz PBDBDZYWKWIPFK-UHFFFAOYSA-N 0 2 412.559 5.040 50 0 HKAALN CC(C)=CCc1c(O)c2c(=O)cc3c(c-2oc1-c1ccc(O)cc1O)C=CC(C)(C)O3 ZINC000005195808 291285811 /nfs/dbraw/zinc/28/58/11/291285811.db2.gz XFFOMNJIDRDDLQ-UHFFFAOYSA-N 0 2 420.461 5.270 50 0 endogenous,in-man HKAALN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343197 560568084 /nfs/dbraw/zinc/56/80/84/560568084.db2.gz ITHGACMVCHWOCJ-XMMPIXPASA-N 0 2 413.452 5.283 50 0 HKAALN COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343198 560568071 /nfs/dbraw/zinc/56/80/71/560568071.db2.gz ITHGACMVCHWOCJ-DEOSSOPVSA-N 0 2 413.452 5.283 50 0 HKAALN COc1ccc(-c2cc(-c3cccs3)nc3sc4c([nH]c(O)cc4=O)c32)cc1 ZINC000005489890 560597993 /nfs/dbraw/zinc/59/79/93/560597993.db2.gz SZELAHKXZXVMPC-UHFFFAOYSA-N 0 2 406.488 5.660 50 0 HKAALN COc1ccccc1-c1cc(-c2cccs2)nc2sc3c([nH]c(O)cc3=O)c21 ZINC000005490056 560598014 /nfs/dbraw/zinc/59/80/14/560598014.db2.gz OWMCOVUMJMLXFT-UHFFFAOYSA-N 0 2 406.488 5.660 50 0 HKAALN CCCCCCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000005502466 557658666 /nfs/dbraw/zinc/65/86/66/557658666.db2.gz IVPWWDZIWKJNFB-UHFFFAOYSA-N 0 2 411.445 6.072 50 0 HKAALN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@@H](C(C)(C)C)CC3 ZINC000005516175 560604152 /nfs/dbraw/zinc/60/41/52/560604152.db2.gz AQWZRHZZEPIIAZ-AWEZNQCLSA-N 0 2 403.569 5.755 50 0 HKAALN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@H](C(C)(C)C)CC3 ZINC000005516177 560604194 /nfs/dbraw/zinc/60/41/94/560604194.db2.gz AQWZRHZZEPIIAZ-CQSZACIVSA-N 0 2 403.569 5.755 50 0 HKAALN O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1ccccc1Br ZINC000005522523 560605277 /nfs/dbraw/zinc/60/52/77/560605277.db2.gz ZUPAUUODTPDZTH-UHFFFAOYSA-N 0 2 401.134 5.072 50 0 HKAALN O=c1cc(OCc2c(Cl)cccc2Cl)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005554614 560608954 /nfs/dbraw/zinc/60/89/54/560608954.db2.gz UBHKFFORZLPZED-UHFFFAOYSA-N 0 2 413.256 6.051 50 0 biogenic HKAALN COc1ccccc1[C@@H]1c2c([nH]nc2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611257 560630210 /nfs/dbraw/zinc/63/02/10/560630210.db2.gz RRXGDJZZKIQKMA-HSZRJFAPSA-N 0 2 415.880 5.489 50 0 HKAALN COc1ccccc1[C@H]1c2c([nH]nc2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611264 560630169 /nfs/dbraw/zinc/63/01/69/560630169.db2.gz RRXGDJZZKIQKMA-QHCPKHFHSA-N 0 2 415.880 5.489 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005625993 560632485 /nfs/dbraw/zinc/63/24/85/560632485.db2.gz DZHMZJAPFUFHQZ-QHCPKHFHSA-N 0 2 401.416 5.413 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2C)c1 ZINC000005652512 560636619 /nfs/dbraw/zinc/63/66/19/560636619.db2.gz PRTJNBIJIXWTEQ-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(O)c-2c1=O ZINC000005854389 291286006 /nfs/dbraw/zinc/28/60/06/291286006.db2.gz UCHYSPNEUSDFQR-UHFFFAOYSA-N 0 2 406.478 5.594 50 0 biogenic,in-vitro HKAALN CC(C)=CCc1c(O)c2c(O)c(-c3ccc(O)cc3)coc-2c(CC=C(C)C)c1=O ZINC000005854389 291286008 /nfs/dbraw/zinc/28/60/08/291286008.db2.gz UCHYSPNEUSDFQR-UHFFFAOYSA-N 0 2 406.478 5.594 50 0 biogenic,in-vitro HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccccc2F)cc1O ZINC000005926541 568829976 /nfs/dbraw/zinc/82/99/76/568829976.db2.gz WVWBIFLINMOEBB-UHFFFAOYSA-N 0 2 404.441 5.484 50 0 HKAALN Cc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000006142873 569014363 /nfs/dbraw/zinc/01/43/63/569014363.db2.gz SICONOSZVPKVEI-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN CC(C)(C)c1ccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000006169458 557692610 /nfs/dbraw/zinc/69/26/10/557692610.db2.gz LPOLQXXVOAVOEO-UHFFFAOYSA-N 0 2 400.474 6.042 50 0 biogenic HKAALN Cc1cc(C(F)F)nc2sc3c([nH]c(-c4ccccc4OC(F)F)nc3=O)c21 ZINC000006275829 569036952 /nfs/dbraw/zinc/03/69/52/569036952.db2.gz NDRNMKXGWNJHRW-UHFFFAOYSA-N 0 2 409.364 5.047 50 0 HKAALN CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000006316672 569040337 /nfs/dbraw/zinc/04/03/37/569040337.db2.gz VCYFWAUHBRBFBO-UHFFFAOYSA-N 0 2 401.553 6.029 50 0 HKAALN Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc(Oc4ccccc4)cc3)nc12 ZINC000006346436 560630163 /nfs/dbraw/zinc/63/01/63/560630163.db2.gz YJSSKZYRGBQHRF-RMKNXTFCSA-N 0 2 408.284 7.210 50 0 HKAALN CCCCc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc43)n2)cc1 ZINC000006502315 569061630 /nfs/dbraw/zinc/06/16/30/569061630.db2.gz ZWMKCTKEARZQNE-UHFFFAOYSA-N 0 2 419.550 5.228 50 0 HKAALN O=S(=O)(Nc1nc2c(ccc3ccccc23)s1)c1ccccc1C(F)(F)F ZINC000006509953 569061996 /nfs/dbraw/zinc/06/19/96/569061996.db2.gz JPLFUBNMEISCNK-UHFFFAOYSA-N 0 2 408.426 5.269 50 0 HKAALN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000006510579 569062082 /nfs/dbraw/zinc/06/20/82/569062082.db2.gz ZHJVTWMWADGBPY-UHFFFAOYSA-N 0 2 402.633 5.049 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000006720214 569098128 /nfs/dbraw/zinc/09/81/28/569098128.db2.gz DZHMZJAPFUFHQZ-HSZRJFAPSA-N 0 2 401.416 5.413 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000006733527 569103745 /nfs/dbraw/zinc/10/37/45/569103745.db2.gz XMOCCNUQGRASAN-UHFFFAOYSA-N 0 2 404.441 5.484 50 0 HKAALN Cc1cc(Br)ccc1NC(=O)c1[nH]nc2c1CSc1ccccc1-2 ZINC000006748601 569108949 /nfs/dbraw/zinc/10/89/49/569108949.db2.gz JEMDGEIBGXXECZ-UHFFFAOYSA-N 0 2 400.301 5.006 50 0 HKAALN COc1cccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786927 569121993 /nfs/dbraw/zinc/12/19/93/569121993.db2.gz NVIVHCDHHUEAFE-HSZRJFAPSA-N 0 2 415.880 5.489 50 0 HKAALN COc1cccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786943 569122006 /nfs/dbraw/zinc/12/20/06/569122006.db2.gz NVIVHCDHHUEAFE-QHCPKHFHSA-N 0 2 415.880 5.489 50 0 HKAALN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)s1 ZINC000007155404 569225874 /nfs/dbraw/zinc/22/58/74/569225874.db2.gz WEUFZGLIGGNXBD-UHFFFAOYSA-N 0 2 407.988 5.670 50 0 HKAALN COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(OC)c1OC ZINC000007586898 568482940 /nfs/dbraw/zinc/48/29/40/568482940.db2.gz MBWCZEPXOKYOIE-SNAWJCMRSA-N 0 2 406.265 5.443 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccs2)cc1 ZINC000008024968 568969141 /nfs/dbraw/zinc/96/91/41/568969141.db2.gz PWTSIVGTYSSOPJ-OAQYLSRUSA-N 0 2 405.910 5.850 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008024974 568969131 /nfs/dbraw/zinc/96/91/31/568969131.db2.gz PWTSIVGTYSSOPJ-NRFANRHFSA-N 0 2 405.910 5.850 50 0 HKAALN Brc1ccc(-c2csc(Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000008441992 557789682 /nfs/dbraw/zinc/78/96/82/557789682.db2.gz SQQLKGFHBXOXHQ-UHFFFAOYSA-N 0 2 414.353 6.440 50 0 HKAALN Oc1cccc2ccc(/C=C/c3cc(Br)c(O)c(Br)c3)nc12 ZINC000008452593 557790959 /nfs/dbraw/zinc/79/09/59/557790959.db2.gz WYQQMKWEHOPOEY-GQCTYLIASA-N 0 2 421.088 5.341 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008557886 571080875 /nfs/dbraw/zinc/08/08/75/571080875.db2.gz SNISKIPGXUKRMW-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN CCOc1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008590756 571085546 /nfs/dbraw/zinc/08/55/46/571085546.db2.gz UAJABHSREIUHFZ-JOCHJYFZSA-N 0 2 419.481 5.426 50 0 aggregator HKAALN CCOc1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008590757 571085487 /nfs/dbraw/zinc/08/54/87/571085487.db2.gz UAJABHSREIUHFZ-QFIPXVFZSA-N 0 2 419.481 5.426 50 0 aggregator HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008595605 571087961 /nfs/dbraw/zinc/08/79/61/571087961.db2.gz AHKDUTFBJXLQEI-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 aggregator HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595606 571087844 /nfs/dbraw/zinc/08/78/44/571087844.db2.gz AHKDUTFBJXLQEI-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 aggregator HKAALN O=S(=O)(Nc1ccccc1SCc1c(F)cccc1Cl)c1cccs1 ZINC000008618210 557797150 /nfs/dbraw/zinc/79/71/50/557797150.db2.gz VFURSDKFOVQUGC-UHFFFAOYSA-N 0 2 413.948 5.634 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715647 557801265 /nfs/dbraw/zinc/80/12/65/557801265.db2.gz HAUOPYAKJVGAHH-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715648 557801352 /nfs/dbraw/zinc/80/13/52/557801352.db2.gz HAUOPYAKJVGAHH-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715792 557801660 /nfs/dbraw/zinc/80/16/60/557801660.db2.gz ZUOXJLUNHURXID-JOCHJYFZSA-N 0 2 403.844 5.619 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715793 557801577 /nfs/dbraw/zinc/80/15/77/557801577.db2.gz ZUOXJLUNHURXID-QFIPXVFZSA-N 0 2 403.844 5.619 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000008740923 571110525 /nfs/dbraw/zinc/11/05/25/571110525.db2.gz MGWBXDWTLQGBAP-UHFFFAOYSA-N 0 2 420.896 5.999 50 0 HKAALN C=Cc1ccc(COc2ccc(-c3[nH]nc(C)c3-c3ccccc3OC)c(O)c2)cc1 ZINC000008740992 571110582 /nfs/dbraw/zinc/11/05/82/571110582.db2.gz HIXPHFSZKMSYMA-UHFFFAOYSA-N 0 2 412.489 5.988 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccccc2Cl)cc1O ZINC000008743782 571111056 /nfs/dbraw/zinc/11/10/56/571111056.db2.gz NLHYFXDNCQOPRH-UHFFFAOYSA-N 0 2 420.896 5.999 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000008743910 571110882 /nfs/dbraw/zinc/11/08/82/571110882.db2.gz NHGPAMCXDKVCDF-UHFFFAOYSA-N 0 2 400.478 5.654 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000008771878 571117278 /nfs/dbraw/zinc/11/72/78/571117278.db2.gz JWNPDSOPYCVVIF-UHFFFAOYSA-N 0 2 420.896 5.999 50 0 HKAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000008782225 571119535 /nfs/dbraw/zinc/11/95/35/571119535.db2.gz XAQGWWVWNVSMKL-UHFFFAOYSA-N 0 2 417.870 5.057 50 0 HKAALN CCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008861639 571128715 /nfs/dbraw/zinc/12/87/15/571128715.db2.gz CKFSHICTFPRJDC-UHFFFAOYSA-N 0 2 418.396 5.265 50 0 HKAALN O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)s1 ZINC000008864768 560640351 /nfs/dbraw/zinc/64/03/51/560640351.db2.gz ZSBOFPZIRGFSJM-UHFFFAOYSA-N 0 2 406.941 5.479 50 0 HKAALN O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000008864769 571129021 /nfs/dbraw/zinc/12/90/21/571129021.db2.gz DJUSSCJHMSDALN-UHFFFAOYSA-N 0 2 406.941 5.479 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccccc2C)cc1O ZINC000008913862 571150320 /nfs/dbraw/zinc/15/03/20/571150320.db2.gz XOMAIQZCNYNQNU-UHFFFAOYSA-N 0 2 400.478 5.654 50 0 HKAALN COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000008996570 571208893 /nfs/dbraw/zinc/20/88/93/571208893.db2.gz FCRATSARDFYBNO-UHFFFAOYSA-N 0 2 414.505 5.962 50 0 HKAALN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cccc(C)c1C ZINC000009002249 571209770 /nfs/dbraw/zinc/20/97/70/571209770.db2.gz IUXDJNJYCKZLCA-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 ZINC000009009294 557818909 /nfs/dbraw/zinc/81/89/09/557818909.db2.gz CGILGDFOAFWMQV-IBGZPJMESA-N 0 2 423.520 5.310 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011893 571210631 /nfs/dbraw/zinc/21/06/31/571210631.db2.gz HVWSVCWJMQHICF-HSZRJFAPSA-N 0 2 401.416 5.413 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011894 571210608 /nfs/dbraw/zinc/21/06/08/571210608.db2.gz HVWSVCWJMQHICF-QHCPKHFHSA-N 0 2 401.416 5.413 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009041733 571214991 /nfs/dbraw/zinc/21/49/91/571214991.db2.gz SNISKIPGXUKRMW-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN COc1ccccc1-c1cc(-c2ccccc2)c2c(n1)sc1c2[nH]c(=O)cc1O ZINC000009087703 571219929 /nfs/dbraw/zinc/21/99/29/571219929.db2.gz RECABWCLNIAOFK-UHFFFAOYSA-N 0 2 400.459 5.186 50 0 HKAALN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110378 571222673 /nfs/dbraw/zinc/22/26/73/571222673.db2.gz ZJJBVIYPTSSIOF-HSZRJFAPSA-N 0 2 415.880 5.489 50 0 HKAALN COc1ccc([C@H]2c3c([nH]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110379 571222690 /nfs/dbraw/zinc/22/26/90/571222690.db2.gz ZJJBVIYPTSSIOF-QHCPKHFHSA-N 0 2 415.880 5.489 50 0 HKAALN COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OC ZINC000009239251 557832154 /nfs/dbraw/zinc/83/21/54/557832154.db2.gz LGYAHXRYRKKGNI-FYJGNVAPSA-N 0 2 405.475 5.094 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308347 571246855 /nfs/dbraw/zinc/24/68/55/571246855.db2.gz ONXGPYABGOTYPQ-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308458 571246914 /nfs/dbraw/zinc/24/69/14/571246914.db2.gz ONXGPYABGOTYPQ-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN O=c1[nH]c(SCc2cccc(Oc3ccccc3)c2)nnc1Cc1ccccc1 ZINC000009340798 571249786 /nfs/dbraw/zinc/24/97/86/571249786.db2.gz KHZUCWAOTFMQLU-UHFFFAOYSA-N 0 2 401.491 5.253 50 0 HKAALN COc1cccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009357669 571251217 /nfs/dbraw/zinc/25/12/17/571251217.db2.gz HXQRDCMCEMMBAS-DEOSSOPVSA-N 0 2 413.452 5.283 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358304 571251416 /nfs/dbraw/zinc/25/14/16/571251416.db2.gz LNSSITDBOGZKRZ-JOCHJYFZSA-N 0 2 420.299 6.133 50 0 HKAALN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358305 571251410 /nfs/dbraw/zinc/25/14/10/571251410.db2.gz LNSSITDBOGZKRZ-QFIPXVFZSA-N 0 2 420.299 6.133 50 0 HKAALN COc1cccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009373750 571252646 /nfs/dbraw/zinc/25/26/46/571252646.db2.gz HXQRDCMCEMMBAS-XMMPIXPASA-N 0 2 413.452 5.283 50 0 HKAALN O=S(=O)(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1F ZINC000009377739 571253139 /nfs/dbraw/zinc/25/31/39/571253139.db2.gz CZMPYWQDZHQIFT-UHFFFAOYSA-N 0 2 417.412 5.038 50 0 HKAALN COc1cccc2sc(Nc3nc4ccc5nc(SC)sc5c4s3)nc21 ZINC000009381959 557840988 /nfs/dbraw/zinc/84/09/88/557840988.db2.gz DGFOFPDSMQAYON-UHFFFAOYSA-N 0 2 416.578 5.990 50 0 HKAALN COc1ccc2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1 ZINC000009381966 571253834 /nfs/dbraw/zinc/25/38/34/571253834.db2.gz YFZCIPDTIPQDBF-UHFFFAOYSA-N 0 2 416.578 5.990 50 0 HKAALN c1sc(Nc2nc3cc4c(cc3s2)OCO4)nc1-c1nc2ccccc2s1 ZINC000009381975 571253974 /nfs/dbraw/zinc/25/39/74/571253974.db2.gz CTTQXGHAZSYPEL-UHFFFAOYSA-N 0 2 410.505 5.502 50 0 HKAALN Cc1nc2c(ccc3nc(Nc4nc5cc6c(cc5s4)OCCO6)sc32)s1 ZINC000009381978 571253964 /nfs/dbraw/zinc/25/39/64/571253964.db2.gz SYZQLGTUKSCJGM-UHFFFAOYSA-N 0 2 412.521 5.339 50 0 HKAALN Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000009403969 571255073 /nfs/dbraw/zinc/25/50/73/571255073.db2.gz ZEKHOARRMPQABP-UHFFFAOYSA-N 0 2 421.956 5.182 50 0 HKAALN Cc1c(NS(=O)(=O)c2ccc(Cl)s2)cccc1-c1nc2cccnc2s1 ZINC000009403977 571255082 /nfs/dbraw/zinc/25/50/82/571255082.db2.gz MHNOAYOJQQVHJY-UHFFFAOYSA-N 0 2 421.956 5.182 50 0 HKAALN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000009645882 571276332 /nfs/dbraw/zinc/27/63/32/571276332.db2.gz SXKDVYGQMDGQMS-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)cc1C ZINC000009645883 571276245 /nfs/dbraw/zinc/27/62/45/571276245.db2.gz AMTRTWGKKDCFCM-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000009645887 571276256 /nfs/dbraw/zinc/27/62/56/571276256.db2.gz QRKKIFOCQZOKIY-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009678999 571279116 /nfs/dbraw/zinc/27/91/16/571279116.db2.gz FHBUOYHRQRUTHS-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679000 571279061 /nfs/dbraw/zinc/27/90/61/571279061.db2.gz FHBUOYHRQRUTHS-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679001 571279124 /nfs/dbraw/zinc/27/91/24/571279124.db2.gz YEKWUWCGTQXUOB-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679003 571279038 /nfs/dbraw/zinc/27/90/38/571279038.db2.gz YEKWUWCGTQXUOB-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679005 571279090 /nfs/dbraw/zinc/27/90/90/571279090.db2.gz CXONKPIYQSPYNP-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679006 571279111 /nfs/dbraw/zinc/27/91/11/571279111.db2.gz CXONKPIYQSPYNP-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679137 571279101 /nfs/dbraw/zinc/27/91/01/571279101.db2.gz IFZDDCJBXOYAAW-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679139 571279142 /nfs/dbraw/zinc/27/91/42/571279142.db2.gz IFZDDCJBXOYAAW-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000009679140 571279049 /nfs/dbraw/zinc/27/90/49/571279049.db2.gz JYHVEXODHLWPIS-HSZRJFAPSA-N 0 2 417.871 5.927 50 0 HKAALN Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000009679142 571279242 /nfs/dbraw/zinc/27/92/42/571279242.db2.gz JYHVEXODHLWPIS-QHCPKHFHSA-N 0 2 417.871 5.927 50 0 HKAALN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679207 571279212 /nfs/dbraw/zinc/27/92/12/571279212.db2.gz SPDDVDRCADEUCQ-XMMPIXPASA-N 0 2 423.472 5.003 50 0 HKAALN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679208 571279235 /nfs/dbraw/zinc/27/92/35/571279235.db2.gz SPDDVDRCADEUCQ-DEOSSOPVSA-N 0 2 423.472 5.003 50 0 HKAALN O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccccc1 ZINC000009720809 557849195 /nfs/dbraw/zinc/84/91/95/557849195.db2.gz HSERMQDTZAICPH-MDWZMJQESA-N 0 2 410.676 5.049 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782252 571285283 /nfs/dbraw/zinc/28/52/83/571285283.db2.gz LLVQPPDJUBPJGH-JOCHJYFZSA-N 0 2 420.299 6.133 50 0 HKAALN O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782254 571285276 /nfs/dbraw/zinc/28/52/76/571285276.db2.gz LLVQPPDJUBPJGH-QFIPXVFZSA-N 0 2 420.299 6.133 50 0 HKAALN COc1cc2nc(Nc3nc4ccc5sc(C)nc5c4s3)sc2cc1OC ZINC000010068973 571294707 /nfs/dbraw/zinc/29/47/07/571294707.db2.gz GVMIHSHOHWTPLB-UHFFFAOYSA-N 0 2 414.537 5.585 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5c(cc(F)cc5F)s4)sc3c2s1 ZINC000011758013 559257734 /nfs/dbraw/zinc/25/77/34/559257734.db2.gz QCIJWSLHJVMKCF-UHFFFAOYSA-N 0 2 422.532 6.259 50 0 HKAALN Cc1cc(C)c2c(n1)sc(-c1cc(=O)oc3cc(O)c(Cl)cc31)c2-n1cccc1 ZINC000011865375 559263583 /nfs/dbraw/zinc/26/35/83/559263583.db2.gz ROUQOSUDGZMBDI-UHFFFAOYSA-N 0 2 422.893 5.836 50 0 HKAALN O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12 ZINC000011865695 559263925 /nfs/dbraw/zinc/26/39/25/559263925.db2.gz VLXQRVNNSFTXBU-UHFFFAOYSA-N 0 2 423.262 5.507 50 0 biogenic HKAALN CCc1cc2c(cc1O)oc(-c1ccc(C)cc1)c(-c1nc3ccccc3n1C)c2=O ZINC000011867609 569399090 /nfs/dbraw/zinc/39/90/90/569399090.db2.gz YHILYQRSELODFD-UHFFFAOYSA-N 0 2 410.473 5.590 50 0 HKAALN COc1ccc2sc(Nc3nc(-c4cc(Cl)sc4Cl)cs3)nc2c1 ZINC000012141023 560890345 /nfs/dbraw/zinc/89/03/45/560890345.db2.gz XVAJGYMXTZUDBT-UHFFFAOYSA-N 0 2 414.364 6.540 50 0 HKAALN CSc1ccc2nc(Nc3nc(-c4nc5ccccc5s4)cs3)sc2c1 ZINC000012141024 560890392 /nfs/dbraw/zinc/89/03/92/560890392.db2.gz JWUAFHFATVMODX-UHFFFAOYSA-N 0 2 412.590 6.495 50 0 HKAALN Cc1ccc(N2N=C(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000012345980 568494254 /nfs/dbraw/zinc/49/42/54/568494254.db2.gz RKYVCCOKOZTLOY-UHFFFAOYSA-N 0 2 403.869 5.459 50 0 HKAALN CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012414867 568717346 /nfs/dbraw/zinc/71/73/46/568717346.db2.gz HLCUQSRNGUNGPY-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(C)c1 ZINC000012414868 568717362 /nfs/dbraw/zinc/71/73/62/568717362.db2.gz ROMTVZOJWOJYIN-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccccc1C ZINC000012414869 568717270 /nfs/dbraw/zinc/71/72/70/568717270.db2.gz HIKLJOIEELVUEU-UHFFFAOYSA-N 0 2 415.536 5.009 50 0 HKAALN O=c1cc(O)[nH]c2c1sc1nc(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)c12 ZINC000012428274 558403725 /nfs/dbraw/zinc/40/37/25/558403725.db2.gz PTOCZGBKOBCWIR-UHFFFAOYSA-N 0 2 420.456 5.742 50 0 HKAALN O=C1CC(=O)c2sc3nc(C(F)(F)F)cc(C45CC6CC(CC(C6)C4)C5)c3c2N1 ZINC000012428274 558403727 /nfs/dbraw/zinc/40/37/27/558403727.db2.gz PTOCZGBKOBCWIR-UHFFFAOYSA-N 0 2 420.456 5.742 50 0 HKAALN CCCCCCSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1C ZINC000012436667 558409309 /nfs/dbraw/zinc/40/93/09/558409309.db2.gz AUSDOAQFHIBDDO-UHFFFAOYSA-N 0 2 408.567 5.510 50 0 HKAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000012466557 568838018 /nfs/dbraw/zinc/83/80/18/568838018.db2.gz QPQSMMYCNBJGJS-UHFFFAOYSA-N 0 2 410.109 5.133 50 0 HKAALN Cn1cc(C(=O)c2cc(Cl)ccc2O)cc1-c1nc2ccccc2n1C(F)F ZINC000012541350 568848727 /nfs/dbraw/zinc/84/87/27/568848727.db2.gz DZZNTQITDFMUSC-UHFFFAOYSA-N 0 2 401.800 5.027 50 0 HKAALN Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4cc(C)c(C)c(C)c4)c23)cc1 ZINC000012637657 568884113 /nfs/dbraw/zinc/88/41/13/568884113.db2.gz HLKNMIQRSAPPKQ-UHFFFAOYSA-N 0 2 423.563 5.393 50 0 HKAALN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000012685550 568908253 /nfs/dbraw/zinc/90/82/53/568908253.db2.gz IQFUUURBNKRQAA-UHFFFAOYSA-N 0 2 421.305 5.047 50 0 HKAALN C[C@H]1c2cccn2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000012742168 568929764 /nfs/dbraw/zinc/92/97/64/568929764.db2.gz FGZNSAVQGVESQP-ZDUSSCGKSA-N 0 2 410.930 5.096 50 0 HKAALN C[C@@H]1c2cccn2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000012742170 568929779 /nfs/dbraw/zinc/92/97/79/568929779.db2.gz FGZNSAVQGVESQP-CYBMUJFWSA-N 0 2 410.930 5.096 50 0 HKAALN Cc1ccc(Sc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012767550 568949339 /nfs/dbraw/zinc/94/93/39/568949339.db2.gz PQYKQPCOZZSKGP-UHFFFAOYSA-N 0 2 421.547 5.199 50 0 HKAALN COc1ccc(C(=O)CC(=C(O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000012769606 568950774 /nfs/dbraw/zinc/95/07/74/568950774.db2.gz LGDYVAUJJJHEFW-IBGZPJMESA-N 0 2 401.487 5.544 50 0 HKAALN COc1ccc(C(=O)CC(=C(O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000012769610 568950757 /nfs/dbraw/zinc/95/07/57/568950757.db2.gz LGDYVAUJJJHEFW-LJQANCHMSA-N 0 2 401.487 5.544 50 0 HKAALN COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)oc1ccccc12 ZINC000013098153 569409087 /nfs/dbraw/zinc/40/90/87/569409087.db2.gz WKBPTNPCMGCDQU-UHFFFAOYSA-N 0 2 422.289 5.702 50 0 HKAALN O=S(=O)(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(Cl)c1 ZINC000013115523 569409412 /nfs/dbraw/zinc/40/94/12/569409412.db2.gz ZOXAZNKNBUSNOQ-UHFFFAOYSA-N 0 2 416.911 5.543 50 0 HKAALN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000013284038 569291812 /nfs/dbraw/zinc/29/18/12/569291812.db2.gz LZCRNQQVHXCYRD-UHFFFAOYSA-N 0 2 412.729 5.563 50 0 HKAALN C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013373368 291281058 /nfs/dbraw/zinc/28/10/58/291281058.db2.gz IJEHYEVNWOYGMS-WGUBEYSISA-N 0 2 406.950 5.783 50 0 biogenic,in-vitro HKAALN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000013676837 558564663 /nfs/dbraw/zinc/56/46/63/558564663.db2.gz AMIYPPSWWMWXJZ-UHFFFAOYSA-N 0 2 414.552 5.233 50 0 HKAALN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)sc2c1 ZINC000013948069 569258256 /nfs/dbraw/zinc/25/82/56/569258256.db2.gz QBBSLRFTGZHAMO-UHFFFAOYSA-N 0 2 416.474 5.351 50 0 HKAALN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)sc2c1 ZINC000013948070 558985871 /nfs/dbraw/zinc/98/58/71/558985871.db2.gz VMDNGVNXBZCHGB-UHFFFAOYSA-N 0 2 416.474 5.351 50 0 HKAALN CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000015421259 558739470 /nfs/dbraw/zinc/73/94/70/558739470.db2.gz ZVBALFJUZYPEGM-UHFFFAOYSA-N 0 2 414.552 5.099 50 0 HKAALN CCCCc1c(C)[nH]n(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)c1=O ZINC000015671480 568962099 /nfs/dbraw/zinc/96/20/99/568962099.db2.gz MVFWPAWPEPNTES-UHFFFAOYSA-N 0 2 418.950 5.208 50 0 HKAALN CCCCc1c(C)[nH]n(-c2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)s2)c1=O ZINC000015671489 568962072 /nfs/dbraw/zinc/96/20/72/568962072.db2.gz BMNQGTFUOGYTGR-UHFFFAOYSA-N 0 2 418.950 5.208 50 0 HKAALN CCc1ccc(NC(=O)c2sc(-n3[nH]c(C)c(CCC(C)C)c3=O)nc2C)cc1 ZINC000015671521 568961974 /nfs/dbraw/zinc/96/19/74/568961974.db2.gz LDAZHEXZNICLHU-UHFFFAOYSA-N 0 2 412.559 5.055 50 0 HKAALN Cc1nc(-n2[nH]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1cccc(Cl)c1 ZINC000015671524 568961827 /nfs/dbraw/zinc/96/18/27/568961827.db2.gz CFMSYCCUVMUEOO-UHFFFAOYSA-N 0 2 418.950 5.146 50 0 HKAALN Cc1nc(-n2[nH]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1cccc(C)c1C ZINC000015671531 568961792 /nfs/dbraw/zinc/96/17/92/568961792.db2.gz MTKGUSITIXDOPO-UHFFFAOYSA-N 0 2 412.559 5.109 50 0 HKAALN Cc1nc(-n2[nH]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000015858762 569014990 /nfs/dbraw/zinc/01/49/90/569014990.db2.gz ANZKQVWEBLPEBL-UHFFFAOYSA-N 0 2 412.559 5.109 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)c1 ZINC000016955796 558809996 /nfs/dbraw/zinc/80/99/96/558809996.db2.gz PBEPZQDRILMBBS-UHFFFAOYSA-N 0 2 422.554 5.041 50 0 HKAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000017088390 560863398 /nfs/dbraw/zinc/86/33/98/560863398.db2.gz KIGJAYARNSODAH-UHFFFAOYSA-N 0 2 410.109 5.133 50 0 HKAALN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000017092842 558821231 /nfs/dbraw/zinc/82/12/31/558821231.db2.gz LRKOITYYWYEYTN-CQSZACIVSA-N 0 2 421.925 5.038 50 0 HKAALN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000017092843 558821250 /nfs/dbraw/zinc/82/12/50/558821250.db2.gz LRKOITYYWYEYTN-AWEZNQCLSA-N 0 2 421.925 5.038 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1 ZINC000017207154 569276641 /nfs/dbraw/zinc/27/66/41/569276641.db2.gz RGUPXRQPJKBCJS-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)cc(C)c2)c1 ZINC000017208917 560704114 /nfs/dbraw/zinc/70/41/14/560704114.db2.gz GWMLIRNLIHFBPA-UHFFFAOYSA-N 0 2 418.522 5.099 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)c1 ZINC000017246951 560704814 /nfs/dbraw/zinc/70/48/14/560704814.db2.gz QPFYZAFTGSZOBQ-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1 ZINC000017247412 560704798 /nfs/dbraw/zinc/70/47/98/560704798.db2.gz LZRWUQAQHFXHPQ-UHFFFAOYSA-N 0 2 424.913 5.136 50 0 HKAALN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355825 569291853 /nfs/dbraw/zinc/29/18/53/569291853.db2.gz AQDIYFKCVQCPHN-NXTQRVMMSA-N 0 2 424.614 5.027 50 0 HKAALN CCCc1cc2c(cc1O)oc(C(F)(F)F)c(-c1nc3ccccc3s1)c2=O ZINC000017729319 569364555 /nfs/dbraw/zinc/36/45/55/569364555.db2.gz YXVLIGBPYAWNQK-UHFFFAOYSA-N 0 2 405.397 5.747 50 0 HKAALN Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(C(C)C)nc4ccccc43)o2)cc1 ZINC000018024823 560772029 /nfs/dbraw/zinc/77/20/29/560772029.db2.gz JWRCAALKJMYLCL-INIZCTEOSA-N 0 2 401.466 5.635 50 0 HKAALN Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(C(C)C)nc4ccccc43)o2)cc1 ZINC000018024824 560772071 /nfs/dbraw/zinc/77/20/71/560772071.db2.gz JWRCAALKJMYLCL-MRXNPFEDSA-N 0 2 401.466 5.635 50 0 HKAALN Cc1cc(C)c2oc(-c3cc(Br)c(O)c(Br)c3)cc(=O)c2c1 ZINC000019688952 569428376 /nfs/dbraw/zinc/42/83/76/569428376.db2.gz CUUSEXUAXBVMGW-UHFFFAOYSA-N 0 2 424.088 5.307 50 0 HKAALN Cc1ccc(Nc2c(C(=O)[O-])c[nH+]c3c(C)c(Cl)ccc23)cc1Br ZINC000019793881 569430108 /nfs/dbraw/zinc/43/01/08/569430108.db2.gz POCQBMQGLRQYOT-UHFFFAOYSA-N 0 2 405.679 5.131 50 0 HKAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)on1 ZINC000020978291 568654224 /nfs/dbraw/zinc/65/42/24/568654224.db2.gz KJIREPSKAFEBJO-UHFFFAOYSA-N 0 2 422.837 5.185 50 0 HKAALN Cc1noc(CSc2ccccc2C(=O)Nc2cc(Cl)cc3cccnc32)n1 ZINC000022994205 558970444 /nfs/dbraw/zinc/97/04/44/558970444.db2.gz SYQPQVJTYSKDFU-UHFFFAOYSA-N 0 2 410.886 5.124 50 0 HKAALN O=c1[nH]c(SCc2ccc(Cl)cc2)nnc1-c1cc(Cl)sc1Cl ZINC000024754763 558610229 /nfs/dbraw/zinc/61/02/29/558610229.db2.gz HBBUJWXUPQFFDH-UHFFFAOYSA-N 0 2 404.731 5.558 50 0 HKAALN Cn1cccc1[C@@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000025045554 558628067 /nfs/dbraw/zinc/62/80/67/558628067.db2.gz AXDMDWYJCYAPRK-SFHVURJKSA-N 0 2 424.957 5.393 50 0 HKAALN Cn1cccc1[C@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000025045562 558628024 /nfs/dbraw/zinc/62/80/24/558628024.db2.gz AXDMDWYJCYAPRK-GOSISDBHSA-N 0 2 424.957 5.393 50 0 HKAALN O=C(Nc1nc2ccccc2s1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000025895797 558651555 /nfs/dbraw/zinc/65/15/55/558651555.db2.gz CMPFWQCNVOFYHH-UHFFFAOYSA-N 0 2 410.502 5.460 50 0 HKAALN O=C(COCc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025899438 558651737 /nfs/dbraw/zinc/65/17/37/558651737.db2.gz LJYUHJAYWYJTKB-QHCPKHFHSA-N 0 2 420.559 5.049 50 0 HKAALN O=C(COCc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025899444 558651751 /nfs/dbraw/zinc/65/17/51/558651751.db2.gz LJYUHJAYWYJTKB-HSZRJFAPSA-N 0 2 420.559 5.049 50 0 HKAALN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900247 558651688 /nfs/dbraw/zinc/65/16/88/558651688.db2.gz YKDZUHVBEVRFOH-VWLOTQADSA-N 0 2 421.610 5.324 50 0 HKAALN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900253 558651761 /nfs/dbraw/zinc/65/17/61/558651761.db2.gz YKDZUHVBEVRFOH-RUZDIDTESA-N 0 2 421.610 5.324 50 0 HKAALN CCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000027585092 558676645 /nfs/dbraw/zinc/67/66/45/558676645.db2.gz QACFXKAYDLQKAJ-UHFFFAOYSA-N 0 2 404.517 6.678 50 0 HKAALN CCCc1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000027585109 558676670 /nfs/dbraw/zinc/67/66/70/558676670.db2.gz MXZNWUUZIBJSAO-UHFFFAOYSA-N 0 2 407.315 5.855 50 0 HKAALN CC(C)c1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000027585227 558676634 /nfs/dbraw/zinc/67/66/34/558676634.db2.gz HFOUPLBBHIMGAR-UHFFFAOYSA-N 0 2 407.315 6.026 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2ccc(Cl)cc2)cc1OC ZINC000027585386 558676667 /nfs/dbraw/zinc/67/66/67/558676667.db2.gz KRFPJLOHLFQHKZ-UHFFFAOYSA-N 0 2 408.889 5.427 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2cccc(Cl)c2)cc1OC ZINC000027585392 558676705 /nfs/dbraw/zinc/67/67/05/558676705.db2.gz DOVMGZAJTAWKCN-UHFFFAOYSA-N 0 2 408.889 5.427 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2ccc(C)c(C)c2)cc1OC ZINC000027585401 558676637 /nfs/dbraw/zinc/67/66/37/558676637.db2.gz KFRGNTUBXJOJQC-UHFFFAOYSA-N 0 2 402.498 5.391 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2ccc(C)c(Cl)c2)cc1OC ZINC000027585407 558676694 /nfs/dbraw/zinc/67/66/94/558676694.db2.gz TUMVOTSAGZKCJT-UHFFFAOYSA-N 0 2 422.916 5.736 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2cc(C)cc(C)c2)cc1OC ZINC000027585413 558676623 /nfs/dbraw/zinc/67/66/23/558676623.db2.gz VLFYYEYZYXGPIK-UHFFFAOYSA-N 0 2 402.498 5.391 50 0 HKAALN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2ccc(C(C)C)cc2)cc1OC ZINC000027585428 558676648 /nfs/dbraw/zinc/67/66/48/558676648.db2.gz XGABPXXGNNEMGY-UHFFFAOYSA-N 0 2 416.525 5.897 50 0 HKAALN CCc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)cc1 ZINC000027585433 558676675 /nfs/dbraw/zinc/67/66/75/558676675.db2.gz AXJVIXIZTRFBNY-UHFFFAOYSA-N 0 2 402.498 5.336 50 0 HKAALN CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C)nn32)cc1 ZINC000027585554 558676655 /nfs/dbraw/zinc/67/66/55/558676655.db2.gz VYWIJHVBTXGLQR-UHFFFAOYSA-N 0 2 404.945 6.753 50 0 HKAALN Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000027585607 558676697 /nfs/dbraw/zinc/67/66/97/558676697.db2.gz JRUNMYZZRWKFQC-UHFFFAOYSA-N 0 2 403.700 6.409 50 0 HKAALN Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585638 558676631 /nfs/dbraw/zinc/67/66/31/558676631.db2.gz MIBGRHDAMJIXBL-UHFFFAOYSA-N 0 2 402.807 6.121 50 0 HKAALN Cc1cc(Nc2cccc(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585668 558676672 /nfs/dbraw/zinc/67/66/72/558676672.db2.gz HDQJZZIFXWKAKW-UHFFFAOYSA-N 0 2 402.807 6.121 50 0 HKAALN CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)cc1 ZINC000027585692 558676665 /nfs/dbraw/zinc/67/66/65/558676665.db2.gz UPJOKPILTZHEJR-UHFFFAOYSA-N 0 2 412.415 5.866 50 0 HKAALN Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585698 558676650 /nfs/dbraw/zinc/67/66/50/558676650.db2.gz CUGHEKKXJIXWNP-UHFFFAOYSA-N 0 2 416.834 6.429 50 0 HKAALN CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)cc1 ZINC000027585741 558676709 /nfs/dbraw/zinc/67/67/09/558676709.db2.gz NDHNEEOVKXENKT-UHFFFAOYSA-N 0 2 424.470 6.810 50 0 HKAALN Cc1nn2c(nc(C)cc2Nc2ccc(Br)cc2)c1-c1ccc(C)cc1 ZINC000027585768 558676706 /nfs/dbraw/zinc/67/67/06/558676706.db2.gz FVKCQNLGNTUDAQ-UHFFFAOYSA-N 0 2 407.315 5.828 50 0 HKAALN CCOc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585981 558676679 /nfs/dbraw/zinc/67/66/79/558676679.db2.gz SAZKXDCLQHGNFU-UHFFFAOYSA-N 0 2 406.489 6.206 50 0 HKAALN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1 ZINC000032735935 519021409 /nfs/dbraw/zinc/02/14/09/519021409.db2.gz APJIUPQGHFYOMG-UHFFFAOYSA-N 0 2 414.552 5.099 50 0 HKAALN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1F ZINC000033025794 558846724 /nfs/dbraw/zinc/84/67/24/558846724.db2.gz YSKBVGVFKZHIIF-UHFFFAOYSA-N 0 2 400.862 5.428 50 0 HKAALN CN(C(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1)C1CCCCC1 ZINC000033068845 558970468 /nfs/dbraw/zinc/97/04/68/558970468.db2.gz ZEQINRRWWFJHRV-UHFFFAOYSA-N 0 2 423.557 5.243 50 0 HKAALN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000033068860 558970492 /nfs/dbraw/zinc/97/04/92/558970492.db2.gz OBWXHIYTVOEVCB-UHFFFAOYSA-N 0 2 421.472 5.230 50 0 HKAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1ccc2ccccc2n1 ZINC000033113748 558875517 /nfs/dbraw/zinc/87/55/17/558875517.db2.gz YJFCYCWONBDUAT-UHFFFAOYSA-N 0 2 424.909 5.365 50 0 HKAALN Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3F)ccc2c1 ZINC000033113768 558875535 /nfs/dbraw/zinc/87/55/35/558875535.db2.gz LXGVAYJKDPCKPS-UHFFFAOYSA-N 0 2 410.445 5.289 50 0 HKAALN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1F ZINC000033124024 558880010 /nfs/dbraw/zinc/88/00/10/558880010.db2.gz CRBUXRJPCFAUGZ-UHFFFAOYSA-N 0 2 402.447 5.042 50 0 HKAALN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1F ZINC000033124036 558880267 /nfs/dbraw/zinc/88/02/67/558880267.db2.gz LEIWTHRCYFIBGZ-UHFFFAOYSA-N 0 2 418.902 5.557 50 0 HKAALN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000033124060 558880274 /nfs/dbraw/zinc/88/02/74/558880274.db2.gz IWNAUOUMPLNYJQ-UHFFFAOYSA-N 0 2 416.474 5.351 50 0 HKAALN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)n2)c(C)c1 ZINC000033140396 558892440 /nfs/dbraw/zinc/89/24/40/558892440.db2.gz NNVVWLHCUHAPFZ-UHFFFAOYSA-N 0 2 410.520 5.488 50 0 HKAALN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccs1 ZINC000033169041 558898766 /nfs/dbraw/zinc/89/87/66/558898766.db2.gz IVYXVSQEFKECFS-UHFFFAOYSA-N 0 2 406.941 5.479 50 0 HKAALN O=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1)c1cccs1 ZINC000033169245 568511592 /nfs/dbraw/zinc/51/15/92/568511592.db2.gz BWXSOOXVUFEAQL-UHFFFAOYSA-N 0 2 406.941 5.479 50 0 HKAALN Cc1cc(-c2csc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)on1 ZINC000033169519 558902930 /nfs/dbraw/zinc/90/29/30/558902930.db2.gz NAWLMAONLCXXKQ-UHFFFAOYSA-N 0 2 422.837 5.185 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1Cl ZINC000033173699 558901747 /nfs/dbraw/zinc/90/17/47/558901747.db2.gz QAHLTLCKJBISNJ-UHFFFAOYSA-N 0 2 422.837 5.185 50 0 HKAALN CC(C)c1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1 ZINC000033173706 558901770 /nfs/dbraw/zinc/90/17/70/558901770.db2.gz XNVSFKQDMNJACU-UHFFFAOYSA-N 0 2 416.446 5.346 50 0 HKAALN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccs4)c(C)c3)sc2c1 ZINC000033289295 559046657 /nfs/dbraw/zinc/04/66/57/559046657.db2.gz PNLQGTYRBIIOSF-UHFFFAOYSA-N 0 2 416.549 5.143 50 0 HKAALN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290153 559047199 /nfs/dbraw/zinc/04/71/99/559047199.db2.gz VWHRPWABGMVQHQ-UHFFFAOYSA-N 0 2 422.597 5.421 50 0 HKAALN COc1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290159 559047197 /nfs/dbraw/zinc/04/71/97/559047197.db2.gz HEQYSLNAHLPNHR-UHFFFAOYSA-N 0 2 408.570 5.113 50 0 HKAALN O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000033293771 559048710 /nfs/dbraw/zinc/04/87/10/559048710.db2.gz QVOQMTMVDHSFFM-AWNIVKPZSA-N 0 2 400.670 5.593 50 0 HKAALN O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000033293806 559047272 /nfs/dbraw/zinc/04/72/72/559047272.db2.gz UHMOFVUAZMUJEP-NTUHNPAUSA-N 0 2 400.670 5.593 50 0 HKAALN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2nc(C(C)C)cs2)cs1 ZINC000033297711 568513160 /nfs/dbraw/zinc/51/31/60/568513160.db2.gz VHGUHNQFKASNON-UHFFFAOYSA-N 0 2 412.989 5.758 50 0 HKAALN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(-c2nc(C(C)C)cs2)cs1 ZINC000033297719 559047612 /nfs/dbraw/zinc/04/76/12/559047612.db2.gz PXLUBRPAEUIQFT-UHFFFAOYSA-N 0 2 412.989 5.758 50 0 HKAALN CC(C)c1csc(-c2csc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n1 ZINC000033297726 559047630 /nfs/dbraw/zinc/04/76/30/559047630.db2.gz BSIPQZHJUPDDES-UHFFFAOYSA-N 0 2 400.497 5.074 50 0 HKAALN CC(C)Cc1csc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)n1 ZINC000033297736 568513185 /nfs/dbraw/zinc/51/31/85/568513185.db2.gz PCRHRYCKXDRPNL-UHFFFAOYSA-N 0 2 412.989 5.524 50 0 HKAALN CC(C)c1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297758 559047575 /nfs/dbraw/zinc/04/75/75/559047575.db2.gz FMZYPDKVIZSGGE-UHFFFAOYSA-N 0 2 420.625 6.093 50 0 HKAALN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000033297760 559047587 /nfs/dbraw/zinc/04/75/87/559047587.db2.gz DRFLMGBFQKDKCG-UHFFFAOYSA-N 0 2 412.989 5.623 50 0 HKAALN CCc1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297768 559047558 /nfs/dbraw/zinc/04/75/58/559047558.db2.gz CVRLVKHCNLOQSY-UHFFFAOYSA-N 0 2 406.598 5.532 50 0 HKAALN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297775 559047607 /nfs/dbraw/zinc/04/76/07/559047607.db2.gz YEBZWKBRGUGWEO-UHFFFAOYSA-N 0 2 422.597 5.369 50 0 HKAALN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297780 559047584 /nfs/dbraw/zinc/04/75/84/559047584.db2.gz XMDOIFLYFJEJHJ-UHFFFAOYSA-N 0 2 406.598 5.587 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(C)c1 ZINC000033297781 559047594 /nfs/dbraw/zinc/04/75/94/559047594.db2.gz SEIFZOOKWSNFLX-UHFFFAOYSA-N 0 2 406.598 5.587 50 0 HKAALN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n1 ZINC000033297799 559047754 /nfs/dbraw/zinc/04/77/54/559047754.db2.gz OHVBABXCHYRGME-UHFFFAOYSA-N 0 2 414.524 5.248 50 0 HKAALN Cc1cc(F)ccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297803 559047693 /nfs/dbraw/zinc/04/76/93/559047693.db2.gz IFHKHMSHQFVZBK-UHFFFAOYSA-N 0 2 410.561 5.417 50 0 HKAALN Cc1cc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)ccc1F ZINC000033297814 559047731 /nfs/dbraw/zinc/04/77/31/559047731.db2.gz DSAVMUASDNCDLE-UHFFFAOYSA-N 0 2 410.561 5.417 50 0 HKAALN Cc1c(F)cccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297815 559047750 /nfs/dbraw/zinc/04/77/50/559047750.db2.gz JSRFYMUTVQEEPL-UHFFFAOYSA-N 0 2 410.561 5.417 50 0 HKAALN Cc1ccc(F)cc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297818 568513128 /nfs/dbraw/zinc/51/31/28/568513128.db2.gz GRWAFIKGFMVVKA-UHFFFAOYSA-N 0 2 410.561 5.417 50 0 HKAALN CSc1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297827 559047707 /nfs/dbraw/zinc/04/77/07/559047707.db2.gz BJEGTZVVKAIFIX-UHFFFAOYSA-N 0 2 424.638 5.692 50 0 HKAALN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc2ccccc12 ZINC000033579111 559214076 /nfs/dbraw/zinc/21/40/76/559214076.db2.gz ZSEWHPJWHBLJOP-YBEGLDIGSA-N 0 2 411.244 5.653 50 0 HKAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 ZINC000033858501 559254152 /nfs/dbraw/zinc/25/41/52/559254152.db2.gz ZUZHTSFJHYQQHR-UHFFFAOYSA-N 0 2 405.928 5.301 50 0 HKAALN CC(C)=CCc1c(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c2c1OC(C)(C)C=C2 ZINC000035464242 291286740 /nfs/dbraw/zinc/28/67/40/291286740.db2.gz ZSSVYEUXLNVQMH-UHFFFAOYSA-N 0 2 420.461 5.270 50 0 biogenic,in-vitro HKAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557373 569044775 /nfs/dbraw/zinc/04/47/75/569044775.db2.gz QTTVDBSYFHGNQM-UHFFFAOYSA-N 0 2 423.947 5.218 50 0 HKAALN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557376 569044787 /nfs/dbraw/zinc/04/47/87/569044787.db2.gz RPUCMCWTZXCNTL-UHFFFAOYSA-N 0 2 423.947 5.218 50 0 HKAALN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557464 569044803 /nfs/dbraw/zinc/04/48/03/569044803.db2.gz SJQYXNQXQLYIKJ-UHFFFAOYSA-N 0 2 423.947 5.218 50 0 HKAALN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557511 569044763 /nfs/dbraw/zinc/04/47/63/569044763.db2.gz NSXXLFYSZIPIIP-UHFFFAOYSA-N 0 2 417.556 5.127 50 0 HKAALN CC(C)c1ccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557521 569044758 /nfs/dbraw/zinc/04/47/58/569044758.db2.gz WXMYIXAOPFVROW-UHFFFAOYSA-N 0 2 417.556 5.380 50 0 HKAALN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2nccc(-c3ccco3)n2)n1 ZINC000036614205 569209518 /nfs/dbraw/zinc/20/95/18/569209518.db2.gz ALKYOABCTOHOSQ-UHFFFAOYSA-N 0 2 417.778 5.609 50 0 HKAALN Cc1cc(C)c2oc(-c3cc(Br)cc(Br)c3O)cc(=O)c2c1 ZINC000041195150 524351992 /nfs/dbraw/zinc/35/19/92/524351992.db2.gz QMBFOGMMHYLDSF-UHFFFAOYSA-N 0 2 424.088 5.307 50 0 HKAALN O=c1nc(COCC(F)(F)F)[nH]c2cc(-c3ccc(Cl)cc3Cl)sc21 ZINC000053851089 569051798 /nfs/dbraw/zinc/05/17/98/569051798.db2.gz VFIJWKWTZFKJSP-UHFFFAOYSA-N 0 2 409.216 5.037 50 0 HKAALN COc1ccc2sc(Nc3nc4ccc5nc(SC)sc5c4s3)nc2c1 ZINC000062007431 560566613 /nfs/dbraw/zinc/56/66/13/560566613.db2.gz BEUWKXRGZPKACW-UHFFFAOYSA-N 0 2 416.578 5.990 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5c(cccc5Cl)s4)sc3c2s1 ZINC000062007441 560566605 /nfs/dbraw/zinc/56/66/05/560566605.db2.gz ITPGANZKIAPIBP-UHFFFAOYSA-N 0 2 420.997 6.635 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5cc(C)cc(C)c5s4)sc3c2s1 ZINC000062017512 560567047 /nfs/dbraw/zinc/56/70/47/560567047.db2.gz MQYVDTVNKZKCNK-UHFFFAOYSA-N 0 2 414.606 6.598 50 0 HKAALN CCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)s2)n1 ZINC000064769335 569092692 /nfs/dbraw/zinc/09/26/92/569092692.db2.gz DOOWEFVKTPOYCP-UHFFFAOYSA-N 0 2 418.487 5.254 50 0 HKAALN CC(C)c1csc(-c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)s2)n1 ZINC000064769468 569092689 /nfs/dbraw/zinc/09/26/89/569092689.db2.gz YBJWMOVUCCWHTJ-UHFFFAOYSA-N 0 2 400.497 5.074 50 0 HKAALN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065003998 569152369 /nfs/dbraw/zinc/15/23/69/569152369.db2.gz KEOLSLPKQWQUNK-UHFFFAOYSA-N 0 2 414.430 5.100 50 0 HKAALN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004149 569152337 /nfs/dbraw/zinc/15/23/37/569152337.db2.gz USHKQLUSZHNCSP-UHFFFAOYSA-N 0 2 414.430 5.100 50 0 HKAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004255 569152310 /nfs/dbraw/zinc/15/23/10/569152310.db2.gz JMZSRQAKBAMNNI-UHFFFAOYSA-N 0 2 408.932 5.433 50 0 HKAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004363 569152509 /nfs/dbraw/zinc/15/25/09/569152509.db2.gz JGXVPAWLKXJVCZ-UHFFFAOYSA-N 0 2 408.932 5.433 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl ZINC000065004366 569152476 /nfs/dbraw/zinc/15/24/76/569152476.db2.gz UXSFNVMNYJWAOS-UHFFFAOYSA-N 0 2 408.932 5.433 50 0 HKAALN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(C)c1 ZINC000065004389 569152438 /nfs/dbraw/zinc/15/24/38/569152438.db2.gz YWQYNLQIUKOBHN-UHFFFAOYSA-N 0 2 402.541 5.397 50 0 HKAALN CCc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004415 569152473 /nfs/dbraw/zinc/15/24/73/569152473.db2.gz NSUHVDMHNILPRU-UHFFFAOYSA-N 0 2 402.541 5.342 50 0 HKAALN CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004428 569152406 /nfs/dbraw/zinc/15/24/06/569152406.db2.gz DLDKATNKDPQKGN-UHFFFAOYSA-N 0 2 402.541 5.595 50 0 HKAALN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004467 569152496 /nfs/dbraw/zinc/15/24/96/569152496.db2.gz GTNIGEVHFFPYDQ-UHFFFAOYSA-N 0 2 412.895 5.264 50 0 HKAALN COc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl ZINC000065004470 569152482 /nfs/dbraw/zinc/15/24/82/569152482.db2.gz FQWKKBLSWXZINQ-UHFFFAOYSA-N 0 2 424.931 5.133 50 0 HKAALN CC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004576 558969219 /nfs/dbraw/zinc/96/92/19/558969219.db2.gz JMGKRCUUQJGAOP-UHFFFAOYSA-N 0 2 416.524 5.064 50 0 HKAALN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004600 558969239 /nfs/dbraw/zinc/96/92/39/558969239.db2.gz OMXFETUAAUOCQZ-UHFFFAOYSA-N 0 2 408.932 5.515 50 0 HKAALN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004602 558969252 /nfs/dbraw/zinc/96/92/52/558969252.db2.gz LBYPRDPGDUSHKN-UHFFFAOYSA-N 0 2 408.932 5.515 50 0 HKAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004615 558969274 /nfs/dbraw/zinc/96/92/74/558969274.db2.gz KVDVTNRFJUZOTB-UHFFFAOYSA-N 0 2 422.959 5.823 50 0 HKAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1C ZINC000065004640 558969459 /nfs/dbraw/zinc/96/94/59/558969459.db2.gz QZXXEOJBTORQGM-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004643 558969510 /nfs/dbraw/zinc/96/95/10/558969510.db2.gz QCAUMDZILOBVEI-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN CCc1ccccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004648 558969496 /nfs/dbraw/zinc/96/94/96/558969496.db2.gz ONQWCRWZERWDLZ-UHFFFAOYSA-N 0 2 402.541 5.424 50 0 HKAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004651 558969463 /nfs/dbraw/zinc/96/94/63/558969463.db2.gz WZDXSGBXORZOJD-UHFFFAOYSA-N 0 2 402.541 5.424 50 0 HKAALN CCOc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004677 558969407 /nfs/dbraw/zinc/96/94/07/558969407.db2.gz WUAZHQUPCUCZEQ-UHFFFAOYSA-N 0 2 418.540 5.260 50 0 HKAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004713 558969482 /nfs/dbraw/zinc/96/94/82/558969482.db2.gz PISYIABFZBURDP-UHFFFAOYSA-N 0 2 422.959 5.823 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1Cl ZINC000065004715 558969414 /nfs/dbraw/zinc/96/94/14/558969414.db2.gz UNRUMDYBESKULD-UHFFFAOYSA-N 0 2 422.959 5.823 50 0 HKAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004718 558969448 /nfs/dbraw/zinc/96/94/48/558969448.db2.gz DIYCHIXYZQNPFL-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(C)c1 ZINC000065004720 558969514 /nfs/dbraw/zinc/96/95/14/558969514.db2.gz KPXCRZXJEKAWME-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1C ZINC000065004738 558969502 /nfs/dbraw/zinc/96/95/02/558969502.db2.gz NUVGKJBVMKGCFV-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(C)c1 ZINC000065004743 558969470 /nfs/dbraw/zinc/96/94/70/558969470.db2.gz DZVNIEWHBXSNCK-UHFFFAOYSA-N 0 2 416.568 5.787 50 0 HKAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004749 558969426 /nfs/dbraw/zinc/96/94/26/558969426.db2.gz NCVWOVMTLYCYPW-UHFFFAOYSA-N 0 2 402.541 5.478 50 0 HKAALN CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004752 558969478 /nfs/dbraw/zinc/96/94/78/558969478.db2.gz FYRVUPKDMXJTGJ-UHFFFAOYSA-N 0 2 416.524 5.064 50 0 HKAALN CCc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004768 558969474 /nfs/dbraw/zinc/96/94/74/558969474.db2.gz CTBYYYCGNGWAQH-UHFFFAOYSA-N 0 2 416.568 5.732 50 0 HKAALN CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004779 558969486 /nfs/dbraw/zinc/96/94/86/558969486.db2.gz ZRFBKIYNTPRJGM-UHFFFAOYSA-N 0 2 416.568 5.985 50 0 HKAALN CCc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004782 558969422 /nfs/dbraw/zinc/96/94/22/558969422.db2.gz AYMBKHNJWZEEFA-UHFFFAOYSA-N 0 2 402.541 5.424 50 0 HKAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1F ZINC000065004807 558969452 /nfs/dbraw/zinc/96/94/52/558969452.db2.gz NUPKCXIECMYRHB-UHFFFAOYSA-N 0 2 406.504 5.309 50 0 HKAALN Cc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004843 558969438 /nfs/dbraw/zinc/96/94/38/558969438.db2.gz CXRVKYAJBPCOPM-UHFFFAOYSA-N 0 2 406.504 5.309 50 0 HKAALN CCc1csc(-c2csc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000065116802 569179966 /nfs/dbraw/zinc/17/99/66/569179966.db2.gz QQNKNSITYICYHV-UHFFFAOYSA-N 0 2 418.487 5.254 50 0 HKAALN COc1ccccc1-c1cc(-c2ccccc2)nc2sc3c([nH]c(=O)cc3O)c21 ZINC000065363432 558974639 /nfs/dbraw/zinc/97/46/39/558974639.db2.gz DJCUAASDLMJSSJ-UHFFFAOYSA-N 0 2 400.459 5.186 50 0 HKAALN CSc1nc2ccc3nc(Nc4nc5c(ccc(C)c5C)s4)sc3c2s1 ZINC000070655609 571271644 /nfs/dbraw/zinc/27/16/44/571271644.db2.gz AABBRALHQRPNPN-UHFFFAOYSA-N 0 2 414.606 6.598 50 0 HKAALN CCOc1ccccc1CNc1c(C(=O)N(CC)CC)cnc2ccc(Cl)cc21 ZINC000072328523 558864101 /nfs/dbraw/zinc/86/41/01/558864101.db2.gz JOCKMOCJBGOYBF-UHFFFAOYSA-N 0 2 411.933 5.381 50 0 HKAALN CCOc1ccc(CNc2c(C(=O)N(CC)CC)cnc3ccc(Cl)cc32)cc1 ZINC000072328524 558864018 /nfs/dbraw/zinc/86/40/18/558864018.db2.gz KZBPOBQBPFDSOV-UHFFFAOYSA-N 0 2 411.933 5.381 50 0 HKAALN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1 ZINC000072328530 558864066 /nfs/dbraw/zinc/86/40/66/558864066.db2.gz WTPFMVBPSXYIJK-UHFFFAOYSA-N 0 2 403.860 5.261 50 0 HKAALN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl ZINC000072328531 558864048 /nfs/dbraw/zinc/86/40/48/558864048.db2.gz PRYKPLWIJGDITQ-UHFFFAOYSA-N 0 2 402.325 5.636 50 0 HKAALN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(Cl)cc1 ZINC000072328532 558863995 /nfs/dbraw/zinc/86/39/95/558863995.db2.gz QXHZWDQRGACXRC-UHFFFAOYSA-N 0 2 402.325 5.636 50 0 HKAALN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1 ZINC000072328536 558863991 /nfs/dbraw/zinc/86/39/91/558863991.db2.gz QVTYHQSPCUGYFK-UHFFFAOYSA-N 0 2 420.315 5.775 50 0 HKAALN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)cc(F)c4)nccn3n2)cc1C ZINC000072328552 558864140 /nfs/dbraw/zinc/86/41/40/558864140.db2.gz KIWFTTCRFCESDW-UHFFFAOYSA-N 0 2 424.476 5.022 50 0 HKAALN Oc1cccc2ccc(/C=C\c3cc(Br)c(O)c(Br)c3)nc12 ZINC000083330324 568914879 /nfs/dbraw/zinc/91/48/79/568914879.db2.gz WYQQMKWEHOPOEY-XQRVVYSFSA-N 0 2 421.088 5.341 50 0 HKAALN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000089331178 569058364 /nfs/dbraw/zinc/05/83/64/569058364.db2.gz IFKHMZWBQKULNP-UHFFFAOYSA-N 0 2 401.871 5.136 50 0 HKAALN CCc1nc(Cc2nc(=O)c3sc(-c4ccccc4Cl)cc3[nH]2)sc1C ZINC000095364786 568601919 /nfs/dbraw/zinc/60/19/19/568601919.db2.gz BHTIUCPCLJURLR-UHFFFAOYSA-N 0 2 401.944 5.223 50 0 HKAALN CCn1c(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)[nH]n2)cc2ccccc21 ZINC000096398553 568747403 /nfs/dbraw/zinc/74/74/03/568747403.db2.gz OVRJKVLSMHNQQL-UHFFFAOYSA-N 0 2 414.387 5.202 50 0 HKAALN CC(C)CSc1nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000096399625 568748212 /nfs/dbraw/zinc/74/82/12/568748212.db2.gz SHYPQUBNMZQBBW-UHFFFAOYSA-N 0 2 414.524 5.123 50 0 HKAALN CC(C)CSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000096399630 568748133 /nfs/dbraw/zinc/74/81/33/568748133.db2.gz YQNCFRHDWIXVSN-UHFFFAOYSA-N 0 2 414.524 5.123 50 0 HKAALN O=C(C(=C(O)c1ccc(-n2cccc2)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100117568 559155719 /nfs/dbraw/zinc/15/57/19/559155719.db2.gz RBLRFWJHRWQNQJ-SXYIGIQMSA-N 0 2 415.455 5.624 50 0 HKAALN O=C(C(=C(O)c1ccc(-n2cccc2)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100117572 559155701 /nfs/dbraw/zinc/15/57/01/559155701.db2.gz RBLRFWJHRWQNQJ-LZGZYFLISA-N 0 2 415.455 5.624 50 0 HKAALN Cc1cc(C2C(C)=NN(c3nc(-c4ccccc4)cs3)C2=O)n(-c2ccccc2)n1 ZINC000100334531 559134246 /nfs/dbraw/zinc/13/42/46/559134246.db2.gz OIRLBCUEDFJAEH-UHFFFAOYSA-N 0 2 413.506 5.171 50 0 HKAALN Cc1cc(-c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)n(-c2ccccc2)n1 ZINC000100334531 559134247 /nfs/dbraw/zinc/13/42/47/559134247.db2.gz OIRLBCUEDFJAEH-UHFFFAOYSA-N 0 2 413.506 5.171 50 0 HKAALN CCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 ZINC000100498383 559135739 /nfs/dbraw/zinc/13/57/39/559135739.db2.gz PALUDZDFCMFWDF-UHFFFAOYSA-N 0 2 422.525 5.329 50 0 HKAALN CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3s2)c1=O ZINC000100498570 559135720 /nfs/dbraw/zinc/13/57/20/559135720.db2.gz FIJOEZCTWBGVED-UHFFFAOYSA-N 0 2 421.522 5.149 50 0 HKAALN CCCCCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccc(C)cc3s2)c1=O ZINC000100658438 559137482 /nfs/dbraw/zinc/13/74/82/559137482.db2.gz LVRVBOLUAGPSDH-UHFFFAOYSA-N 0 2 421.522 5.068 50 0 HKAALN Cc1nc(-n2[nH]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000101832635 560803063 /nfs/dbraw/zinc/80/30/63/560803063.db2.gz KBILXZXUHDUNGD-UHFFFAOYSA-N 0 2 418.950 5.146 50 0 HKAALN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C2CCCCC2)c3=O)[C@H]1C ZINC000104134878 560848502 /nfs/dbraw/zinc/84/85/02/560848502.db2.gz QEMPFZUUBGDTRZ-VCBZYWHSSA-N 0 2 413.587 5.119 50 0 HKAALN O=c1c(C23CC4CC(CC(C4)C2)C3)c(O)n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000136957256 560858495 /nfs/dbraw/zinc/85/84/95/560858495.db2.gz DLLNYJREMPPHIA-UHFFFAOYSA-N 0 2 414.505 5.019 50 0 HKAALN Cc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)o1 ZINC000253412757 569366765 /nfs/dbraw/zinc/36/67/65/569366765.db2.gz RXTPBERNZNYWSC-AWEZNQCLSA-N 0 2 422.820 5.161 50 0 biogenic HKAALN Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)o1 ZINC000253412758 569366688 /nfs/dbraw/zinc/36/66/88/569366688.db2.gz RXTPBERNZNYWSC-CQSZACIVSA-N 0 2 422.820 5.161 50 0 biogenic HKAALN Brc1ccc(-c2ccnc(Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000253495446 569381941 /nfs/dbraw/zinc/38/19/41/569381941.db2.gz FACAIWKWLBUKBW-UHFFFAOYSA-N 0 2 409.312 5.773 50 0 HKAALN CSc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c(O)c32)cc1 ZINC000263584990 568878478 /nfs/dbraw/zinc/87/84/78/568878478.db2.gz CUFKRKLTSXGFNB-GOSISDBHSA-N 0 2 424.905 5.440 50 0 biogenic HKAALN CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c(O)c32)cc1 ZINC000263584991 568878528 /nfs/dbraw/zinc/87/85/28/568878528.db2.gz CUFKRKLTSXGFNB-SFHVURJKSA-N 0 2 424.905 5.440 50 0 biogenic HKAALN