smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nc3ccc(NCc4cccs4)cc3o2)cc1 ZINC000000032661 563499196 /nfs/dbraw/zinc/49/91/96/563499196.db2.gz CEQNVXYJUOXJLB-UHFFFAOYSA-N 0 0 320.417 5.477 40 0 DKABRN CCCc1sc(Nc2ccccc2OC)nc1-c1ccccc1 ZINC000000034703 563820090 /nfs/dbraw/zinc/82/00/90/563820090.db2.gz PVVLFOPTSGUGJI-UHFFFAOYSA-N 0 0 324.449 5.515 40 0 DKABRN S=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1 ZINC000000044909 563211663 /nfs/dbraw/zinc/21/16/63/563211663.db2.gz AMGISSVQJFCIIZ-UHFFFAOYSA-N 0 0 314.413 5.422 40 0 DKABRN S=c1sc2ccccc2n1CSc1ccc(Cl)cc1 ZINC000000046537 563211904 /nfs/dbraw/zinc/21/19/04/563211904.db2.gz NSWRKROYLWKHHM-UHFFFAOYSA-N 0 0 323.895 5.835 40 0 DKABRN Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000000054799 563499142 /nfs/dbraw/zinc/49/91/42/563499142.db2.gz AYNPQXYRFPLDOF-UHFFFAOYSA-N 0 0 314.599 5.208 40 0 DKABRN Cc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000000059680 180680388 /nfs/dbraw/zinc/68/03/88/180680388.db2.gz WGEBZMNVUYNSIN-UHFFFAOYSA-N 0 0 310.180 5.221 40 0 DKABRN Cc1ccc2nc(-c3ccc(NC(=O)CC(C)C)cc3)sc2c1 ZINC000000060360 563212198 /nfs/dbraw/zinc/21/21/98/563212198.db2.gz HCRMCQBWLMWUTG-UHFFFAOYSA-N 0 0 324.449 5.256 40 0 DKABRN Cc1cccc(-c2ccc(OC(=O)c3ccccc3F)c(C)c2)c1 ZINC000000064480 563819902 /nfs/dbraw/zinc/81/99/02/563819902.db2.gz ITQZYTMVBVDNPL-UHFFFAOYSA-N 0 0 320.363 5.329 40 0 DKABRN O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000000065249 180682010 /nfs/dbraw/zinc/68/20/10/180682010.db2.gz NWPWGORXCFKYJH-UHFFFAOYSA-N 0 0 324.383 5.019 40 0 DKABRN CC1(C)Cc2nc(Nc3ccc4ccccc4c3)sc2C(=O)C1 ZINC000000096572 563513210 /nfs/dbraw/zinc/51/32/10/563513210.db2.gz ZTTCIVBSDDLWKX-UHFFFAOYSA-N 0 0 322.433 5.195 40 0 DKABRN CC(C)(C)Sc1c(Br)cccc1Br ZINC000000115892 563219316 /nfs/dbraw/zinc/21/93/16/563219316.db2.gz OEAWXVSJOXPPEI-UHFFFAOYSA-N 0 0 324.081 5.102 40 0 DKABRN Cc1cc(Nc2cccc(Cl)c2)c2ccc(Cl)cc2n1 ZINC000000120840 563219973 /nfs/dbraw/zinc/21/99/73/563219973.db2.gz BXIQBRYKXVDMQA-UHFFFAOYSA-N 0 0 303.192 5.594 40 0 DKABRN Cc1cccc(C)c1OC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000000129547 563820171 /nfs/dbraw/zinc/82/01/71/563820171.db2.gz SUQLVZKKGRZVPW-VQHVLOKHSA-N 0 0 321.203 5.229 40 0 DKABRN Oc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000000136164 257211434 /nfs/dbraw/zinc/21/14/34/257211434.db2.gz CLYZFUXGMYSAGC-UHFFFAOYSA-N 0 0 324.383 5.183 40 0 DKABRN CC(C)(C)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000137498 563605265 /nfs/dbraw/zinc/60/52/65/563605265.db2.gz XCPPNLURDVWAKY-UHFFFAOYSA-N 0 0 302.805 5.282 40 0 DKABRN CC(C)(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000137666 563605559 /nfs/dbraw/zinc/60/55/59/563605559.db2.gz RCHCBYIDFWUVFR-UHFFFAOYSA-N 0 0 302.805 5.282 40 0 DKABRN Cc1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1C ZINC000000146035 563820252 /nfs/dbraw/zinc/82/02/52/563820252.db2.gz ZDWKOAHMSHLKAF-MDZDMXLPSA-N 0 0 320.219 5.262 40 0 DKABRN Cc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1 ZINC000000146037 563572496 /nfs/dbraw/zinc/57/24/96/563572496.db2.gz RWPYQILKUIZZII-VQHVLOKHSA-N 0 0 320.219 5.262 40 0 DKABRN Cc1sc2nc(-c3ccc(Cl)cc3)cn2c1-c1ccccc1 ZINC000000151878 563820005 /nfs/dbraw/zinc/82/00/05/563820005.db2.gz LMEZNSGFNFGZIP-UHFFFAOYSA-N 0 0 324.836 5.692 40 0 DKABRN Cc1ccc2c(c1)N(C(=O)NC1CCCCC1)C(C)(C)C[C@H]2C ZINC000000169701 180714064 /nfs/dbraw/zinc/71/40/64/180714064.db2.gz DBIHAOPELCQPAM-OAHLLOKOSA-N 0 0 314.473 5.130 40 0 DKABRN Cc1ccc2c(c1)N(C(=O)NC1CCCCC1)C(C)(C)C[C@@H]2C ZINC000000169704 563628304 /nfs/dbraw/zinc/62/83/04/563628304.db2.gz DBIHAOPELCQPAM-HNNXBMFYSA-N 0 0 314.473 5.130 40 0 DKABRN CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccc(C)cc2)C1(C)C ZINC000000172733 563227307 /nfs/dbraw/zinc/22/73/07/563227307.db2.gz JQJLBWJCEPMALM-PMACEKPBSA-N 0 0 323.436 5.101 40 0 DKABRN CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000000172735 563227436 /nfs/dbraw/zinc/22/74/36/563227436.db2.gz JQJLBWJCEPMALM-UXHICEINSA-N 0 0 323.436 5.101 40 0 DKABRN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccc(C)cc2)C1(C)C ZINC000000172738 563227397 /nfs/dbraw/zinc/22/73/97/563227397.db2.gz JQJLBWJCEPMALM-VQTJNVASSA-N 0 0 323.436 5.101 40 0 DKABRN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000000172740 563227466 /nfs/dbraw/zinc/22/74/66/563227466.db2.gz JQJLBWJCEPMALM-WOJBJXKFSA-N 0 0 323.436 5.101 40 0 DKABRN Cc1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000000175383 563227775 /nfs/dbraw/zinc/22/77/75/563227775.db2.gz HYSCGQUAPWXJBG-UHFFFAOYSA-N 0 0 318.401 5.010 40 0 DKABRN Cc1ccc2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2n1 ZINC000000181801 563920587 /nfs/dbraw/zinc/92/05/87/563920587.db2.gz FSILCYSDABHYPR-UHFFFAOYSA-N 0 0 319.404 5.060 40 0 DKABRN Cn1c2ccccc2nc1SCc1ccc(Cl)cc1Cl ZINC000000192291 563609640 /nfs/dbraw/zinc/60/96/40/563609640.db2.gz GTIMMWMKYZDCKH-UHFFFAOYSA-N 0 0 323.248 5.172 40 0 DKABRN O=C(Nc1ccccc1)Oc1cccc([C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000000221283 563615069 /nfs/dbraw/zinc/61/50/69/563615069.db2.gz FCWHDSZGWRJEIK-GMBSWORKSA-N 0 0 307.393 5.201 40 0 DKABRN CCc1nc2ccccc2c(C(=O)Nc2cccc(Cl)c2)c1C ZINC000000238359 563606721 /nfs/dbraw/zinc/60/67/21/563606721.db2.gz ZGOSPJFIXAIADU-UHFFFAOYSA-N 0 0 324.811 5.011 40 0 DKABRN CC[C@@H](C)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C ZINC000000244382 535459216 /nfs/dbraw/zinc/45/92/16/535459216.db2.gz HEEKRNSCYDQQRX-GJYPPUQNSA-N 0 0 322.452 5.011 40 0 DKABRN Nc1cc2nc(-c3ccc(Cl)cc3Cl)oc2c(Cl)c1 ZINC000000244932 563233332 /nfs/dbraw/zinc/23/33/32/563233332.db2.gz BWJLKCFWHJINGK-UHFFFAOYSA-N 0 0 313.571 5.037 40 0 DKABRN CC(C)COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000262187 180741108 /nfs/dbraw/zinc/74/11/08/180741108.db2.gz XIACIUMYIKBGMX-UHFFFAOYSA-N 0 0 319.404 5.127 40 0 DKABRN c1ccc2[nH]c(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1 ZINC000000263626 180742033 /nfs/dbraw/zinc/74/20/33/180742033.db2.gz QHRMOENIRHKHQU-UHFFFAOYSA-N 0 0 311.344 5.038 40 0 DKABRN Cc1ccc(O)c(-c2cc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000000265126 563607744 /nfs/dbraw/zinc/60/77/44/563607744.db2.gz STMUIJGLZSOCQJ-UHFFFAOYSA-N 0 0 306.409 5.055 40 0 DKABRN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)C1CCCCC1 ZINC000000267564 563234593 /nfs/dbraw/zinc/23/45/93/563234593.db2.gz CNBSHWJCQXLOLI-UHFFFAOYSA-N 0 0 320.392 5.014 40 0 DKABRN CCOc1ccc(Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000000274496 563616126 /nfs/dbraw/zinc/61/61/26/563616126.db2.gz KJQHIWCOKPRIOX-UHFFFAOYSA-N 0 0 310.422 5.261 40 0 DKABRN COc1ccc(-c2nc(Nc3ccccc3C)sc2C)cc1 ZINC000000274502 180745456 /nfs/dbraw/zinc/74/54/56/180745456.db2.gz IJMWVBNDVDOFRF-UHFFFAOYSA-N 0 0 310.422 5.179 40 0 DKABRN COc1ccc(Nc2nc(-c3ccc(C)cc3C)c(C)s2)cc1 ZINC000000274508 563606770 /nfs/dbraw/zinc/60/67/70/563606770.db2.gz YFONNJUEXIWFLU-UHFFFAOYSA-N 0 0 324.449 5.488 40 0 DKABRN COc1ccc(Nc2nc(-c3cc(C)ccc3C)c(C)s2)cc1 ZINC000000274513 563606885 /nfs/dbraw/zinc/60/68/85/563606885.db2.gz AACTVWSXEXJWRJ-UHFFFAOYSA-N 0 0 324.449 5.488 40 0 DKABRN CCCc1sc(Nc2ccc(OC)cc2)nc1-c1ccccc1 ZINC000000274518 180744968 /nfs/dbraw/zinc/74/49/68/180744968.db2.gz JWHYYKSSIPNBSQ-UHFFFAOYSA-N 0 0 324.449 5.515 40 0 DKABRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccs1 ZINC000000278505 563584196 /nfs/dbraw/zinc/58/41/96/563584196.db2.gz DJSSPSYDJNZCRY-UHFFFAOYSA-N 0 0 313.809 5.321 40 0 DKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(F)c1 ZINC000000290855 563607605 /nfs/dbraw/zinc/60/76/05/563607605.db2.gz RMSOFNDLRCBWDG-UHFFFAOYSA-N 0 0 318.562 5.038 40 0 DKABRN Cc1cc(Cl)nc(SCc2c(Cl)cccc2Cl)n1 ZINC000000303848 563607625 /nfs/dbraw/zinc/60/76/25/563607625.db2.gz FJUUMFJKXFCDCX-UHFFFAOYSA-N 0 0 319.644 5.038 40 0 DKABRN Cc1cc(Cl)nc(SCc2ccc(Cl)cc2Cl)n1 ZINC000000303850 563607729 /nfs/dbraw/zinc/60/77/29/563607729.db2.gz PAJNYRBBSWPXOT-UHFFFAOYSA-N 0 0 319.644 5.038 40 0 DKABRN CC(C)(C)NC(=S)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000314089 563240442 /nfs/dbraw/zinc/24/04/42/563240442.db2.gz MAYQABYBUMBMDF-UHFFFAOYSA-N 0 0 321.530 5.051 40 0 DKABRN Brc1ccc(CNc2ccc3ccccc3c2)cc1 ZINC000000315241 563607685 /nfs/dbraw/zinc/60/76/85/563607685.db2.gz AEBZEQWEVIJPNI-UHFFFAOYSA-N 0 0 312.210 5.214 40 0 DKABRN Cc1cccc2nc(-c3ccc(F)cc3)c(NC3CCCCC3)n21 ZINC000000319872 563914795 /nfs/dbraw/zinc/91/47/95/563914795.db2.gz NVVATMKJVGILRY-UHFFFAOYSA-N 0 0 323.415 5.193 40 0 DKABRN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC1CCCCC1 ZINC000000319917 563607724 /nfs/dbraw/zinc/60/77/24/563607724.db2.gz OCJJVYSPBBVMOB-UHFFFAOYSA-N 0 0 305.425 5.054 40 0 DKABRN Cc1ccc2nc(-c3ccccc3)c(NC3CCCCC3)n2c1 ZINC000000320045 563607769 /nfs/dbraw/zinc/60/77/69/563607769.db2.gz GKTJMZSDLAORQM-UHFFFAOYSA-N 0 0 305.425 5.054 40 0 DKABRN CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn21 ZINC000000320251 563607369 /nfs/dbraw/zinc/60/73/69/563607369.db2.gz SGOXNTSNRZCJCJ-UHFFFAOYSA-N 0 0 317.795 5.004 40 0 DKABRN Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(C)(C)C)n2c1 ZINC000000320363 563588150 /nfs/dbraw/zinc/58/81/50/563588150.db2.gz YVZCBZNLFOGJHJ-UHFFFAOYSA-N 0 0 313.832 5.174 40 0 DKABRN c1csc(C2N(c3ccccc3)CCCN2c2ccccc2)c1 ZINC000000342825 563242840 /nfs/dbraw/zinc/24/28/40/563242840.db2.gz ABOPNUJRZILYQW-UHFFFAOYSA-N 0 0 320.461 5.164 40 0 DKABRN Cc1ccc(NCn2c3cc(Cl)ccc3oc2=S)c(C)c1 ZINC000000342898 563607630 /nfs/dbraw/zinc/60/76/30/563607630.db2.gz JTMQZJXPBQFBGV-UHFFFAOYSA-N 0 0 318.829 5.304 40 0 DKABRN CC(C)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000376721 563608247 /nfs/dbraw/zinc/60/82/47/563608247.db2.gz PEZDHRHIDCQGAK-UHFFFAOYSA-N 0 0 300.452 5.106 40 0 DKABRN Cc1ccc2cc(CNc3ccc(Cl)cc3)c(Cl)nc2c1 ZINC000000378853 180771286 /nfs/dbraw/zinc/77/12/86/180771286.db2.gz NZQYVRRESISKEE-UHFFFAOYSA-N 0 0 317.219 5.462 40 0 DKABRN O=C(Nc1ccccc1F)c1sc2cc(F)ccc2c1Cl ZINC000000380977 563608151 /nfs/dbraw/zinc/60/81/51/563608151.db2.gz XNTYLWTXQKESGP-UHFFFAOYSA-N 0 0 323.751 5.085 40 0 DKABRN Cc1ccc2c(c1)sc(C(=O)Nc1ccccc1)c2Cl ZINC000000380986 180771519 /nfs/dbraw/zinc/77/15/19/180771519.db2.gz XWSPVEZHUAKCKU-UHFFFAOYSA-N 0 0 301.798 5.115 40 0 DKABRN CCOc1c(-c2cc3ccccc3o2)coc2cc(=O)ccc1-2 ZINC000000408916 332853083 /nfs/dbraw/zinc/85/30/83/332853083.db2.gz QMSOUJBAMGHIDR-UHFFFAOYSA-O 0 0 307.325 5.231 40 0 DKABRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000000411669 563608318 /nfs/dbraw/zinc/60/83/18/563608318.db2.gz VKZYGSYFAAPHHJ-UHFFFAOYSA-N 0 0 307.780 5.259 40 0 DKABRN Cc1ccc2cc(C)c(SCC(=O)c3ccccc3)nc2c1C ZINC000000412478 563608194 /nfs/dbraw/zinc/60/81/94/563608194.db2.gz BAXZUBLSNRANFN-UHFFFAOYSA-N 0 0 321.445 5.135 40 0 DKABRN CCc1cc2ccc(C)cc2nc1SCC(=O)c1ccccc1 ZINC000000413576 563608939 /nfs/dbraw/zinc/60/89/39/563608939.db2.gz IXYVGWQKCOEGKY-UHFFFAOYSA-N 0 0 321.445 5.081 40 0 DKABRN CC(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000000413737 563609003 /nfs/dbraw/zinc/60/90/03/563609003.db2.gz JPJQXZCLNVNMJK-UHFFFAOYSA-N 0 0 320.223 5.128 40 0 DKABRN Cc1sc2nc(C)nc(SCc3ccccc3F)c2c1C ZINC000000414677 563608813 /nfs/dbraw/zinc/60/88/13/563608813.db2.gz XKBRAHJONWMAGJ-UHFFFAOYSA-N 0 0 318.442 5.048 40 0 DKABRN Cc1sc2nc(C)nc(SCc3ccc(F)cc3)c2c1C ZINC000000414759 563608855 /nfs/dbraw/zinc/60/88/55/563608855.db2.gz URLVMMRYRAXCGK-UHFFFAOYSA-N 0 0 318.442 5.048 40 0 DKABRN Cc1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)o1 ZINC000000420051 180783226 /nfs/dbraw/zinc/78/32/26/180783226.db2.gz RZNIRTPJSAKHRQ-UHFFFAOYSA-N 0 0 316.769 5.173 40 0 DKABRN c1nc2sc3c(c2c(SCC2CCCCC2)n1)CCCC3 ZINC000000422682 180784319 /nfs/dbraw/zinc/78/43/19/180784319.db2.gz SFVPDBIOJNGKTK-UHFFFAOYSA-N 0 0 318.511 5.243 40 0 DKABRN O=C(Oc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000511916 563264329 /nfs/dbraw/zinc/26/43/29/563264329.db2.gz SBGGJDKOTBJVBZ-UHFFFAOYSA-N 0 0 308.764 5.226 40 0 DKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000514084 563264218 /nfs/dbraw/zinc/26/42/18/563264218.db2.gz ZIHOZGFFSGLCAD-UHFFFAOYSA-N 0 0 314.599 5.208 40 0 DKABRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000000514557 563264345 /nfs/dbraw/zinc/26/43/45/563264345.db2.gz PDOAERVPABCAEZ-UHFFFAOYSA-N 0 0 317.388 5.348 40 0 DKABRN CCC(=O)Nc1ccc(-c2nc3cc([C@H](C)CC)ccc3o2)cc1 ZINC000000514848 180810669 /nfs/dbraw/zinc/81/06/69/180810669.db2.gz CQGCRXDXKSSZCY-CYBMUJFWSA-N 0 0 322.408 5.357 40 0 DKABRN CCC(=O)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 ZINC000000514849 563630360 /nfs/dbraw/zinc/63/03/60/563630360.db2.gz CQGCRXDXKSSZCY-ZDUSSCGKSA-N 0 0 322.408 5.357 40 0 DKABRN Cc1sc2ncnc(SCc3cc(C)ccc3C)c2c1C ZINC000000530512 563264724 /nfs/dbraw/zinc/26/47/24/563264724.db2.gz SWGUHMUWRDPFJV-UHFFFAOYSA-N 0 0 314.479 5.217 40 0 DKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1 ZINC000000558157 563630652 /nfs/dbraw/zinc/63/06/52/563630652.db2.gz SKSCPYJOLVDKPP-SNVBAGLBSA-N 0 0 300.789 5.244 40 0 DKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1 ZINC000000558158 563630734 /nfs/dbraw/zinc/63/07/34/563630734.db2.gz SKSCPYJOLVDKPP-JTQLQIEISA-N 0 0 300.789 5.244 40 0 DKABRN CC(C)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000000560868 563630775 /nfs/dbraw/zinc/63/07/75/563630775.db2.gz QWAJKENHLFIIEV-UHFFFAOYSA-N 0 0 311.812 5.182 40 0 DKABRN CC(C)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000560870 563630843 /nfs/dbraw/zinc/63/08/43/563630843.db2.gz LHYMFIQCEKOSQC-UHFFFAOYSA-N 0 0 311.812 5.182 40 0 DKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 ZINC000000562670 180822324 /nfs/dbraw/zinc/82/23/24/180822324.db2.gz OJFXUDMEFSXETH-UHFFFAOYSA-N 0 0 323.779 5.385 40 0 DKABRN Cc1cccc(C(C)C)c1NC(=O)CCSc1ccccc1 ZINC000000562975 563631156 /nfs/dbraw/zinc/63/11/56/563631156.db2.gz URDMJAHBUDUCNB-UHFFFAOYSA-N 0 0 313.466 5.239 40 0 DKABRN COc1ccc(-c2nc(Nc3ccccc3F)sc2C)cc1 ZINC000000563182 180822378 /nfs/dbraw/zinc/82/23/78/180822378.db2.gz ZRSLUPHXRJMVOB-UHFFFAOYSA-N 0 0 314.385 5.010 40 0 DKABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000000564493 180823009 /nfs/dbraw/zinc/82/30/09/180823009.db2.gz XPCNNVRNPNBAEY-OAHLLOKOSA-N 0 0 313.466 5.238 40 0 DKABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccccc1 ZINC000000564494 563631313 /nfs/dbraw/zinc/63/13/13/563631313.db2.gz XPCNNVRNPNBAEY-HNNXBMFYSA-N 0 0 313.466 5.238 40 0 DKABRN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000000568617 563853723 /nfs/dbraw/zinc/85/37/23/563853723.db2.gz 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ZINC000001563073 568412134 /nfs/dbraw/zinc/41/21/34/568412134.db2.gz UGOLJJDEDYXOAY-UHFFFAOYSA-N 0 0 301.389 5.127 40 0 DKABRN O=C(CC1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 ZINC000001565848 568412172 /nfs/dbraw/zinc/41/21/72/568412172.db2.gz SSEJKDAMKRGFNR-UHFFFAOYSA-N 0 0 312.497 5.090 40 0 DKABRN c1c(Cc2ccccc2)c(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000001568437 568412263 /nfs/dbraw/zinc/41/22/63/568412263.db2.gz SCCVMQGSBHWOFB-UHFFFAOYSA-N 0 0 309.412 5.940 40 0 DKABRN CCC(CC)=C(c1ccc(F)cc1)c1ccc(OC(C)=O)cc1 ZINC000001569553 568412175 /nfs/dbraw/zinc/41/21/75/568412175.db2.gz LFVPWWCXDKGUCR-UHFFFAOYSA-N 0 0 312.384 5.373 40 0 DKABRN CCCCCCC(=O)C[C@H](SCC)c1ccc(Cl)cc1 ZINC000001570337 563285719 /nfs/dbraw/zinc/28/57/19/563285719.db2.gz BRSNGXHCTNRWRD-KRWDZBQOSA-N 0 0 312.906 6.064 40 0 DKABRN CCCCCCC(=O)C[C@H](SCC)c1ccccc1Cl ZINC000001570338 563285689 /nfs/dbraw/zinc/28/56/89/563285689.db2.gz JSVAEMAUWAYRBY-KRWDZBQOSA-N 0 0 312.906 6.064 40 0 DKABRN Cc1cccc(C)c1NC1c2ccccc2C=Cc2ccccc21 ZINC000001571337 180874223 /nfs/dbraw/zinc/87/42/23/180874223.db2.gz CYLXMCAHINIUOL-UHFFFAOYSA-N 0 0 311.428 5.989 40 0 DKABRN c1ccc(P(OC2CCCCC2)OC2CCCCC2)cc1 ZINC000001571702 563285589 /nfs/dbraw/zinc/28/55/89/563285589.db2.gz WEJRDDNNNZSBSG-UHFFFAOYSA-N 0 0 306.386 5.322 40 0 DKABRN CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000001572580 563285682 /nfs/dbraw/zinc/28/56/82/563285682.db2.gz HGUUEXKLZJRTQI-UHFFFAOYSA-N 0 0 314.444 6.119 40 0 DKABRN CC(C)(C)CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1 ZINC000001572583 180874435 /nfs/dbraw/zinc/87/44/35/180874435.db2.gz JGHBXTMYWGXSHM-UHFFFAOYSA-N 0 0 314.444 6.119 40 0 DKABRN CC[C@H](c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000001572785 563285743 /nfs/dbraw/zinc/28/57/43/563285743.db2.gz QNAPXTXFAOYBQN-GOSISDBHSA-N 0 0 324.508 6.529 40 0 in-vitro DKABRN C[C@@H](c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000001572788 563285770 /nfs/dbraw/zinc/28/57/70/563285770.db2.gz XOVCWYXPFJNQLU-HNNXBMFYSA-N 0 0 310.481 6.139 40 0 DKABRN O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1Cl ZINC000001574617 563285560 /nfs/dbraw/zinc/28/55/60/563285560.db2.gz SSHWWXLYKNRZGV-UHFFFAOYSA-N 0 0 320.779 5.227 40 0 DKABRN O=C(Nc1ccccc1)N1c2ccccc2S[C@@H]1c1ccco1 ZINC000001574659 180874572 /nfs/dbraw/zinc/87/45/72/180874572.db2.gz DHYIHAGZEUCINU-QGZVFWFLSA-N 0 0 322.389 5.123 40 0 DKABRN CCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001577722 563285617 /nfs/dbraw/zinc/28/56/17/563285617.db2.gz KYIQEQHXKAQJOA-UHFFFAOYSA-N 0 0 322.402 5.269 40 0 DKABRN C=C1c2c(Cl)cccc2C(C)(CC)c2cccc(Cl)c21 ZINC000001579025 257231311 /nfs/dbraw/zinc/23/13/11/257231311.db2.gz WZFXIYXSRKWXMF-UHFFFAOYSA-N 0 0 303.232 6.084 40 0 DKABRN CC1CCC(C(=O)[C@H]2CCCC[C@H]2CC2CCCCC2)CC1 ZINC000001579186 180874996 /nfs/dbraw/zinc/87/49/96/180874996.db2.gz ICYZFOKXGOIZSE-QUDVFMAMSA-N 0 0 304.518 6.159 40 0 DKABRN CC1CCC(C(=O)[C@@H]2CCCC[C@H]2CC2CCCCC2)CC1 ZINC000001579187 180875186 /nfs/dbraw/zinc/87/51/86/180875186.db2.gz ICYZFOKXGOIZSE-DXBWTPJFSA-N 0 0 304.518 6.159 40 0 DKABRN CC1CCC(C(=O)[C@H]2CCCC[C@@H]2CC2CCCCC2)CC1 ZINC000001579188 180875080 /nfs/dbraw/zinc/87/50/80/180875080.db2.gz ICYZFOKXGOIZSE-HFPIOELMSA-N 0 0 304.518 6.159 40 0 DKABRN CC1CCC(C(=O)[C@@H]2CCCC[C@@H]2CC2CCCCC2)CC1 ZINC000001579189 180874976 /nfs/dbraw/zinc/87/49/76/180874976.db2.gz ICYZFOKXGOIZSE-PEVDHWGLSA-N 0 0 304.518 6.159 40 0 DKABRN Clc1ccc(-c2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000001580738 563285809 /nfs/dbraw/zinc/28/58/09/563285809.db2.gz SDCJWWFIPSHOAP-UHFFFAOYSA-N 0 0 306.752 5.210 40 0 DKABRN c1ccc2cc(-c3nnc(-c4ccc5ccccc5c4)o3)ccc2c1 ZINC000001580854 180875133 /nfs/dbraw/zinc/87/51/33/180875133.db2.gz NQDGITXYARLRTF-UHFFFAOYSA-N 0 0 322.367 5.710 40 0 DKABRN c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2)cc1 ZINC000001580980 563286177 /nfs/dbraw/zinc/28/61/77/563286177.db2.gz YAVCXSHORWKJQQ-UHFFFAOYSA-N 0 0 306.408 6.688 40 0 DKABRN CCCC[C@@H](CC)CC[C@@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000001586588 563286378 /nfs/dbraw/zinc/28/63/78/563286378.db2.gz QCCQNTMNOKMXCE-HUUCEWRRSA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@H](CC)CC[C@@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000001586589 563286104 /nfs/dbraw/zinc/28/61/04/563286104.db2.gz QCCQNTMNOKMXCE-CABCVRRESA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@@H](CC)CC[C@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000001586590 563286279 /nfs/dbraw/zinc/28/62/79/563286279.db2.gz QCCQNTMNOKMXCE-LSDHHAIUSA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@H](CC)CC[C@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000001586591 563286427 /nfs/dbraw/zinc/28/64/27/563286427.db2.gz QCCQNTMNOKMXCE-GJZGRUSLSA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@@H](CC)CC[C@@H](C)OC(=O)c1ccccc1Cl ZINC000001586592 563286299 /nfs/dbraw/zinc/28/62/99/563286299.db2.gz ZPPPFTZXSABIGF-HUUCEWRRSA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@H](CC)CC[C@@H](C)OC(=O)c1ccccc1Cl ZINC000001586593 180875672 /nfs/dbraw/zinc/87/56/72/180875672.db2.gz ZPPPFTZXSABIGF-CABCVRRESA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@@H](CC)CC[C@H](C)OC(=O)c1ccccc1Cl ZINC000001586594 563286113 /nfs/dbraw/zinc/28/61/13/563286113.db2.gz ZPPPFTZXSABIGF-LSDHHAIUSA-N 0 0 310.865 5.882 40 0 DKABRN CCCC[C@H](CC)CC[C@H](C)OC(=O)c1ccccc1Cl ZINC000001586595 563286350 /nfs/dbraw/zinc/28/63/50/563286350.db2.gz ZPPPFTZXSABIGF-GJZGRUSLSA-N 0 0 310.865 5.882 40 0 DKABRN CCCCCC[C@@H](CCCC)COC(=O)c1ccc(Cl)cc1 ZINC000001586596 563286224 /nfs/dbraw/zinc/28/62/24/563286224.db2.gz ZZUQMPIPBWUMQM-MRXNPFEDSA-N 0 0 324.892 6.274 40 0 DKABRN CCCCCc1onc(-c2noc(CCCCC)c2C)c1C ZINC000001588242 180876179 /nfs/dbraw/zinc/87/61/79/180876179.db2.gz RWYMOQGEKFRHPY-UHFFFAOYSA-N 0 0 304.434 5.412 40 0 DKABRN CCc1c2ccccn2c2cc(C(=O)c3ccc(Cl)cc3)oc21 ZINC000001588867 563286160 /nfs/dbraw/zinc/28/61/60/563286160.db2.gz WXKZPNWIWMMYHX-UHFFFAOYSA-N 0 0 323.779 5.132 40 0 DKABRN CCN(Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000001588989 563286456 /nfs/dbraw/zinc/28/64/56/563286456.db2.gz CACNSSXNHFDCEM-UHFFFAOYSA-N 0 0 323.223 5.047 40 0 DKABRN CCCCOP(=O)(OCCCC)C(Cl)(Cl)Cl ZINC000001589994 180876376 /nfs/dbraw/zinc/87/63/76/180876376.db2.gz SUGMXDMMEJYWBB-UHFFFAOYSA-N 0 0 311.573 5.141 40 0 DKABRN CCCC[C@@](CCc1ccccc1)(C(=O)OCC)c1ccccc1 ZINC000001592708 563286703 /nfs/dbraw/zinc/28/67/03/563286703.db2.gz WUXJRFMWBYZNDU-QFIPXVFZSA-N 0 0 324.464 5.311 40 0 DKABRN O=C(Nc1ccccc1Cl)Oc1ccc(Cl)cc1Cl ZINC000001592974 563286998 /nfs/dbraw/zinc/28/69/98/563286998.db2.gz BQFPYDVQUFKTLQ-UHFFFAOYSA-N 0 0 316.571 5.258 40 0 DKABRN Oc1ccc2ccccc2c1CCc1c(O)ccc2ccccc21 ZINC000001593904 563286764 /nfs/dbraw/zinc/28/67/64/563286764.db2.gz MEMAVMFMCJQZOR-UHFFFAOYSA-N 0 0 314.384 5.189 40 0 DKABRN c1c(-c2ccccc2)oc(-c2ccccc2)c1N1CCCCC1 ZINC000001595075 563287002 /nfs/dbraw/zinc/28/70/02/563287002.db2.gz NVPZVAGUXFLJSE-UHFFFAOYSA-N 0 0 303.405 5.604 40 0 DKABRN CCC(=O)Oc1ccc(C(C)(C)C)cc1[C@H](C)c1ccccc1 ZINC000001595749 563286860 /nfs/dbraw/zinc/28/68/60/563286860.db2.gz PSLACLLQCBVOCC-OAHLLOKOSA-N 0 0 310.437 5.451 40 0 DKABRN CCCC(=O)Oc1ccc(C(C)(C)C)cc1[C@H](C)c1ccccc1 ZINC000001595750 563286848 /nfs/dbraw/zinc/28/68/48/563286848.db2.gz XHNMDNGGVMGLOL-MRXNPFEDSA-N 0 0 324.464 5.841 40 0 DKABRN CC(C)[C@H]1CC[C@](C)(C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000001596196 563286814 /nfs/dbraw/zinc/28/68/14/563286814.db2.gz KFZCMJSZXQYMFT-AVRDEDQJSA-N 0 0 322.448 5.721 40 0 DKABRN CC(C)[C@@H]1CC[C@](C)(C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000001596197 180876868 /nfs/dbraw/zinc/87/68/68/180876868.db2.gz KFZCMJSZXQYMFT-GCJKJVERSA-N 0 0 322.448 5.721 40 0 DKABRN CC(C)[C@H]1CC[C@@](C)(C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000001596198 563286776 /nfs/dbraw/zinc/28/67/76/563286776.db2.gz KFZCMJSZXQYMFT-PGRDOPGGSA-N 0 0 322.448 5.721 40 0 DKABRN CC(C)[C@@H]1CC[C@@](C)(C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000001596199 563286749 /nfs/dbraw/zinc/28/67/49/563286749.db2.gz KFZCMJSZXQYMFT-XMSQKQJNSA-N 0 0 322.448 5.721 40 0 DKABRN CCCC(=O)Oc1c(Cl)cc(Cl)cc1-c1ccccc1 ZINC000001597241 563287644 /nfs/dbraw/zinc/28/76/44/563287644.db2.gz LJNGGLUDCYLCQV-UHFFFAOYSA-N 0 0 309.192 5.366 40 0 DKABRN CC(C)=C[C@@H]1[C@H](C(=O)Oc2cc(C)ccc2C(C)C)C1(C)C ZINC000001597887 563287410 /nfs/dbraw/zinc/28/74/10/563287410.db2.gz OOJJFZLKFZGOLF-SJLPKXTDSA-N 0 0 300.442 5.262 40 0 DKABRN CC(C)=C[C@@H]1[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)C1(C)C ZINC000001597888 180876767 /nfs/dbraw/zinc/87/67/67/180876767.db2.gz OOJJFZLKFZGOLF-AEFFLSMTSA-N 0 0 300.442 5.262 40 0 DKABRN CC(C)=C[C@H]1[C@H](C(=O)Oc2cc(C)ccc2C(C)C)C1(C)C ZINC000001597889 563287599 /nfs/dbraw/zinc/28/75/99/563287599.db2.gz OOJJFZLKFZGOLF-FUHWJXTLSA-N 0 0 300.442 5.262 40 0 DKABRN CC(C)=C[C@H]1[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)C1(C)C ZINC000001597890 563287349 /nfs/dbraw/zinc/28/73/49/563287349.db2.gz OOJJFZLKFZGOLF-WMZOPIPTSA-N 0 0 300.442 5.262 40 0 DKABRN Cc1ccc(N[C@@H]2C=C(c3ccccc3)Oc3ccccc32)cc1 ZINC000001598802 563287421 /nfs/dbraw/zinc/28/74/21/563287421.db2.gz HAWYNJQNOSLBTD-HXUWFJFHSA-N 0 0 313.400 5.582 40 0 DKABRN CC(C)=CCC/C(C)=C/COC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000001598989 563287663 /nfs/dbraw/zinc/28/76/63/563287663.db2.gz QGSQJRGJFYLTDB-HDMCBDBWSA-N 0 0 304.474 5.461 40 0 DKABRN ClC(Cl)(Cl)c1ccccc1C(Cl)(Cl)Cl ZINC000001599127 563287617 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CCCCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000005468027 181247671 /nfs/dbraw/zinc/24/76/71/181247671.db2.gz QBJFHIWADBBYEO-UHFFFAOYSA-N 0 0 302.805 5.327 40 0 DKABRN O=C(c1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000005489006 181249441 /nfs/dbraw/zinc/24/94/41/181249441.db2.gz PDHFQNIQVRIEFF-HXUWFJFHSA-N 0 0 304.414 5.403 40 0 DKABRN c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1 ZINC000005490891 181249256 /nfs/dbraw/zinc/24/92/56/181249256.db2.gz DEQJSUIBQNVOFU-UHFFFAOYSA-N 0 0 308.384 5.478 40 0 DKABRN Cc1ccc(N[C@H]2C=C(c3ccccc3)Oc3ccccc32)cc1 ZINC000005495428 181250120 /nfs/dbraw/zinc/25/01/20/181250120.db2.gz HAWYNJQNOSLBTD-FQEVSTJZSA-N 0 0 313.400 5.582 40 0 DKABRN CCC(=O)Oc1ccc(C(C)(C)C)cc1[C@@H](C)c1ccccc1 ZINC000005498016 181250010 /nfs/dbraw/zinc/25/00/10/181250010.db2.gz PSLACLLQCBVOCC-HNNXBMFYSA-N 0 0 310.437 5.451 40 0 DKABRN CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccccc1 ZINC000005498946 181250100 /nfs/dbraw/zinc/25/01/00/181250100.db2.gz MVELWMJHOLQQFQ-UHFFFAOYSA-N 0 0 312.482 5.742 40 0 DKABRN CCN(C(=S)Nc1cccc2ccccc21)c1ccccc1 ZINC000005499533 181250036 /nfs/dbraw/zinc/25/00/36/181250036.db2.gz UYEOGULKUHLQLT-UHFFFAOYSA-N 0 0 306.434 5.063 40 0 DKABRN CCCCC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000005501834 181250486 /nfs/dbraw/zinc/25/04/86/181250486.db2.gz YLAQKUZOVJNSMK-UHFFFAOYSA-N 0 0 322.408 5.240 40 0 DKABRN C/C(CC1SCCCS1)=C(/C)CC1SCCCS1 ZINC000005502408 181250733 /nfs/dbraw/zinc/25/07/33/181250733.db2.gz CRVSHIMXJLJXGI-VAWYXSNFSA-N 0 0 320.614 5.495 40 0 DKABRN Cc1ccccc1NC(=O)C1[C@H]2CC/C=C/CC/C=C\CC[C@H]12 ZINC000005509351 181251452 /nfs/dbraw/zinc/25/14/52/181251452.db2.gz ZXYIWDOTGHMCAS-JLHWHSNBSA-N 0 0 309.453 5.262 40 0 DKABRN CCCC/C=C/CCCCCCCC/C=C/CCOC(C)=O ZINC000005509912 181251249 /nfs/dbraw/zinc/25/12/49/181251249.db2.gz VVJPJXKHBZNADP-QQIRETTESA-N 0 0 308.506 6.363 40 0 DKABRN CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(O)ccc1O ZINC000005515860 181252582 /nfs/dbraw/zinc/25/25/82/181252582.db2.gz JSPUCPNQXKTYRO-DVMWJLJYSA-N 0 0 314.469 5.439 40 0 DKABRN CC1=CCC[C@@H]2[C@@](C)(Cc3cc(O)ccc3O)[C@H](C)CC[C@]12C ZINC000005515873 181252592 /nfs/dbraw/zinc/25/25/92/181252592.db2.gz JSPUCPNQXKTYRO-QAJUQPOASA-N 0 0 314.469 5.439 40 0 DKABRN Clc1ccc(-c2nc3c(ccc4ccccc34)o2)c(Cl)c1 ZINC000005518611 181252563 /nfs/dbraw/zinc/25/25/63/181252563.db2.gz WMEGYNUSSIQISO-UHFFFAOYSA-N 0 0 314.171 5.955 40 0 DKABRN COc1cccc2c1[C@@H]1c3ccccc3Sc3cccc(c31)O2 ZINC000005520058 181253202 /nfs/dbraw/zinc/25/32/02/181253202.db2.gz VWVVGKLRZSAORA-SFHVURJKSA-N 0 0 318.397 5.446 40 0 DKABRN CN1c2ccccc2SCCCCCCCCCCC1=O ZINC000005520976 181252955 /nfs/dbraw/zinc/25/29/55/181252955.db2.gz VVODFAQRGJTZOB-UHFFFAOYSA-N 0 0 305.487 5.266 40 0 DKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2ccccc2c1 ZINC000005521361 181253316 /nfs/dbraw/zinc/25/33/16/181253316.db2.gz AMKTUNQUGUHTJE-KPKJPENVSA-N 0 0 307.780 5.145 40 0 DKABRN CCCC(=O)Oc1ccc(C(C)(C)C)cc1[C@@H](C)c1ccccc1 ZINC000005523356 181252934 /nfs/dbraw/zinc/25/29/34/181252934.db2.gz XHNMDNGGVMGLOL-INIZCTEOSA-N 0 0 324.464 5.841 40 0 DKABRN CCCCC/C(=C/c1ccccc1)[C@H]1OCC(C)(C)[C@H](C)O1 ZINC000005523648 181253407 /nfs/dbraw/zinc/25/34/07/181253407.db2.gz HHFFTBMMWCOEOA-LQSQMINFSA-N 0 0 302.458 5.438 40 0 DKABRN CCCCCC[C@H](CCCC)COC(=O)c1ccc(Cl)cc1 ZINC000005524269 181253171 /nfs/dbraw/zinc/25/31/71/181253171.db2.gz ZZUQMPIPBWUMQM-INIZCTEOSA-N 0 0 324.892 6.274 40 0 DKABRN Clc1ccc(-c2cn3c(-c4ccccc4)csc3n2)cc1 ZINC000005532282 181254757 /nfs/dbraw/zinc/25/47/57/181254757.db2.gz KLBDBAMAWLVGMM-UHFFFAOYSA-N 0 0 310.809 5.383 40 0 DKABRN CC1=CCC[C@H]2[C@@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)ccc1O ZINC000005533792 181254507 /nfs/dbraw/zinc/25/45/07/181254507.db2.gz JSPUCPNQXKTYRO-ZEWNOJEFSA-N 0 0 314.469 5.439 40 0 DKABRN CC1=CCC[C@@H]2[C@@](C)(Cc3cc(O)ccc3O)[C@@H](C)CC[C@]12C ZINC000005533876 181254470 /nfs/dbraw/zinc/25/44/70/181254470.db2.gz JSPUCPNQXKTYRO-KQLYMOGASA-N 0 0 314.469 5.439 40 0 DKABRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000005534613 181254244 /nfs/dbraw/zinc/25/42/44/181254244.db2.gz UTTLATHPFFOAEP-FMIVXFBMSA-N 0 0 321.464 5.561 40 0 DKABRN Cc1cc(C)cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000005535070 181254755 /nfs/dbraw/zinc/25/47/55/181254755.db2.gz NZSPOJCDQJDFJO-GQCTYLIASA-N 0 0 320.219 5.262 40 0 DKABRN CC1(C)CCCCCC[C@@H]2C[C@@H]2CCCCCC(C)(C)C1=O ZINC000005538555 563330179 /nfs/dbraw/zinc/33/01/79/563330179.db2.gz APFUKGAGJOUSBI-MSOLQXFVSA-N 0 0 306.534 6.549 40 0 DKABRN CC1(C)CCCCCC[C@H]2C[C@@H]2CCCCCC(C)(C)C1=O ZINC000005538556 563330462 /nfs/dbraw/zinc/33/04/62/563330462.db2.gz APFUKGAGJOUSBI-ROUUACIJSA-N 0 0 306.534 6.549 40 0 DKABRN CC1(C)CCCCCC[C@@H]2C[C@H]2CCCCCC(C)(C)C1=O ZINC000005538561 563330523 /nfs/dbraw/zinc/33/05/23/563330523.db2.gz APFUKGAGJOUSBI-QZTJIDSGSA-N 0 0 306.534 6.549 40 0 DKABRN CC1(C)CCCCCC[C@H]2C[C@H]2CCCCCC(C)(C)C1=O ZINC000005538567 331491911 /nfs/dbraw/zinc/49/19/11/331491911.db2.gz APFUKGAGJOUSBI-ZWKOTPCHSA-N 0 0 306.534 6.549 40 0 DKABRN CCCCCC[C@H](C)OP(O)O[C@@H](C)CCCCCC ZINC000005539302 257231524 /nfs/dbraw/zinc/23/15/24/257231524.db2.gz LNPGRNRJLBBPJA-HOTGVXAUSA-N 0 0 306.427 5.957 40 0 DKABRN CCCCCC[C@@H](C)OP(O)O[C@H](C)CCCCCC ZINC000005539307 257231553 /nfs/dbraw/zinc/23/15/53/257231553.db2.gz LNPGRNRJLBBPJA-HZPDHXFCSA-N 0 0 306.427 5.957 40 0 DKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000005540799 257218579 /nfs/dbraw/zinc/21/85/79/257218579.db2.gz OQOCSNDLSOYOPU-UHFFFAOYSA-N 0 0 321.807 5.568 40 0 DKABRN c1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C2)cc1 ZINC000005542702 181255312 /nfs/dbraw/zinc/25/53/12/181255312.db2.gz RGLLBGFSRMGPCW-NRFANRHFSA-N 0 0 323.399 5.150 40 0 DKABRN Cc1ccc(C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 ZINC000005543857 181255318 /nfs/dbraw/zinc/25/53/18/181255318.db2.gz DXMYEYURNKQGRO-UHFFFAOYSA-N 0 0 324.423 6.191 40 0 DKABRN Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000005544693 181255590 /nfs/dbraw/zinc/25/55/90/181255590.db2.gz IIHQLRKJCQCODM-UHFFFAOYSA-N 0 0 315.416 5.033 40 0 DKABRN Clc1ccc([C@H]2SCc3nc4ccccc4n32)cc1Cl ZINC000005545851 181255336 /nfs/dbraw/zinc/25/53/36/181255336.db2.gz IVTOTLGRAFMIKZ-OAHLLOKOSA-N 0 0 321.232 5.137 40 0 DKABRN Clc1ccc([C@H]2SCc3nc4ccccc4n32)c(Cl)c1 ZINC000005545870 181255305 /nfs/dbraw/zinc/25/53/05/181255305.db2.gz HXSGDSWWWGAFBV-OAHLLOKOSA-N 0 0 321.232 5.137 40 0 DKABRN Clc1cccc([C@H]2SCc3nc4ccccc4n32)c1Cl ZINC000005545871 181255496 /nfs/dbraw/zinc/25/54/96/181255496.db2.gz LYYXOZRAOOIZED-OAHLLOKOSA-N 0 0 321.232 5.137 40 0 DKABRN Clc1cccc(Cl)c1[C@@H]1SCc2nc3ccccc3n21 ZINC000005545872 181255565 /nfs/dbraw/zinc/25/55/65/181255565.db2.gz NHXWVKNHPDSLDA-HNNXBMFYSA-N 0 0 321.232 5.137 40 0 DKABRN Cc1ccc(SC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000005546139 181255211 /nfs/dbraw/zinc/25/52/11/181255211.db2.gz WCFLQUKIQUUXFS-UHFFFAOYSA-N 0 0 312.221 5.626 40 0 DKABRN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000005546817 181255385 /nfs/dbraw/zinc/25/53/85/181255385.db2.gz BOWKUTAYKRUIOG-UHFFFAOYSA-N 0 0 301.389 5.223 40 0 DKABRN Cc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000005548271 181256028 /nfs/dbraw/zinc/25/60/28/181256028.db2.gz VPLBYOIILPHMIE-UHFFFAOYSA-N 0 0 315.416 5.033 40 0 DKABRN Cc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000005549210 181256259 /nfs/dbraw/zinc/25/62/59/181256259.db2.gz XGGMTQYLANEPLW-UHFFFAOYSA-N 0 0 315.416 5.033 40 0 DKABRN Cc1c2ccccc2sc1[C@@H]1CCSc2ccccc2N1 ZINC000005552349 257231528 /nfs/dbraw/zinc/23/15/28/257231528.db2.gz JDYSYXHOCWYBBL-HNNXBMFYSA-N 0 0 311.475 5.859 40 0 DKABRN C1CC[C@H]2SCCCSCCSCCCS[C@@H]2C1 ZINC000005566933 181257839 /nfs/dbraw/zinc/25/78/39/181257839.db2.gz FXFGLYRNCVPDND-ZIAGYGMSSA-N 0 0 322.630 5.024 40 0 DKABRN C1CC[C@@H]2SCCCSCCSCCCS[C@H]2C1 ZINC000005566985 181258018 /nfs/dbraw/zinc/25/80/18/181258018.db2.gz FXFGLYRNCVPDND-KBPBESRZSA-N 0 0 322.630 5.024 40 0 DKABRN O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)NC1CCCCC1 ZINC000005567105 181257768 /nfs/dbraw/zinc/25/77/68/181257768.db2.gz FPMRFZVPECHTQE-UHFFFAOYSA-N 0 0 321.635 5.101 40 0 DKABRN CC[C@H]1c2cc(C)c(C)cc2N[C@H](Nc2ccc(C)c(C)c2)[C@@H]1C ZINC000005569119 181258619 /nfs/dbraw/zinc/25/86/19/181258619.db2.gz BLZFHISQGHOJDJ-JUXOCIIHSA-N 0 0 322.496 5.914 40 0 DKABRN CC[C@H]1c2cc(C)c(C)cc2N[C@@H](Nc2ccc(C)c(C)c2)[C@@H]1C ZINC000005569124 181258524 /nfs/dbraw/zinc/25/85/24/181258524.db2.gz BLZFHISQGHOJDJ-SFGWALBWSA-N 0 0 322.496 5.914 40 0 DKABRN Oc1ccc([C@H]2Sc3ssc(=S)c3S2)cc1 ZINC000005570069 181258302 /nfs/dbraw/zinc/25/83/02/181258302.db2.gz DBQKEUBHCSYWIJ-SECBINFHSA-N 0 0 302.492 5.141 40 0 DKABRN Oc1ccc([C@@H]2Sc3ssc(=S)c3S2)cc1 ZINC000005570109 181258666 /nfs/dbraw/zinc/25/86/66/181258666.db2.gz DBQKEUBHCSYWIJ-VIFPVBQESA-N 0 0 302.492 5.141 40 0 DKABRN Clc1ccc2nc(-c3cscn3)cc(-c3ccccc3)c2c1 ZINC000005589935 181261170 /nfs/dbraw/zinc/26/11/70/181261170.db2.gz DAJJABBZTZVVGF-UHFFFAOYSA-N 0 0 322.820 5.679 40 0 DKABRN CCCC[C@@H](CC)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005591038 181261123 /nfs/dbraw/zinc/26/11/23/181261123.db2.gz LOAKMFJGYYUVEE-QGZVFWFLSA-N 0 0 309.453 5.109 40 0 DKABRN CCCC[C@@H](CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005591053 181261173 /nfs/dbraw/zinc/26/11/73/181261173.db2.gz YFIXTJYYVOVWAR-SECBINFHSA-N 0 0 322.663 5.802 40 0 DKABRN CCCC[C@H](CC)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005591103 181261486 /nfs/dbraw/zinc/26/14/86/181261486.db2.gz LOAKMFJGYYUVEE-KRWDZBQOSA-N 0 0 309.453 5.109 40 0 DKABRN CCCC[C@H](CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005591119 181261267 /nfs/dbraw/zinc/26/12/67/181261267.db2.gz YFIXTJYYVOVWAR-VIFPVBQESA-N 0 0 322.663 5.802 40 0 DKABRN c1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C2)cc1 ZINC000005593638 331492060 /nfs/dbraw/zinc/49/20/60/331492060.db2.gz RGLLBGFSRMGPCW-OAQYLSRUSA-N 0 0 323.399 5.150 40 0 DKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@@H]1CCC(=O)C1(C)C ZINC000005601444 181262234 /nfs/dbraw/zinc/26/22/34/181262234.db2.gz KVSORZUJEYCZRK-WPGCABQBSA-N 0 0 302.502 6.411 40 0 DKABRN CC(C)=CCC/C(C)=C/COC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000005601453 181262315 /nfs/dbraw/zinc/26/23/15/181262315.db2.gz QGSQJRGJFYLTDB-BVVDNCSCSA-N 0 0 304.474 5.461 40 0 DKABRN O=C(NC1CCCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000005604508 181262958 /nfs/dbraw/zinc/26/29/58/181262958.db2.gz XSCAFMURMNEULI-UHFFFAOYSA-N 0 0 307.437 5.196 40 0 DKABRN O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000005604531 181263141 /nfs/dbraw/zinc/26/31/41/181263141.db2.gz JPYUYOGUQJEDNI-UHFFFAOYSA-N 0 0 322.795 5.651 40 0 DKABRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000005618106 181264767 /nfs/dbraw/zinc/26/47/67/181264767.db2.gz RLQRAHUXXFRLPK-UHFFFAOYSA-N 0 0 317.388 5.348 40 0 DKABRN Cc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000005619564 181264361 /nfs/dbraw/zinc/26/43/61/181264361.db2.gz RTLDUNABFDRCHQ-LTGZKZEYSA-N 0 0 313.400 5.174 40 0 DKABRN Cc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C ZINC000005619841 181264638 /nfs/dbraw/zinc/26/46/38/181264638.db2.gz OVVRXEGLFLXXCP-SDNWHVSQSA-N 0 0 307.437 5.253 40 0 DKABRN COc1ccc(C(C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000005633655 181266679 /nfs/dbraw/zinc/26/66/79/181266679.db2.gz OIUAXXGOJYWUPP-UHFFFAOYSA-N 0 0 318.416 5.058 40 0 DKABRN CC(=O)N[C@@H]1CC[C@H](C2CCCCC2)C[C@@H]1C1CCCCC1 ZINC000005663112 181269400 /nfs/dbraw/zinc/26/94/00/181269400.db2.gz JBDZDVLYEAXETB-XUVXKRRUSA-N 0 0 305.506 5.068 40 0 DKABRN CC(=O)N[C@@H]1CC[C@@H](C2CCCCC2)C[C@@H]1C1CCCCC1 ZINC000005663119 181269690 /nfs/dbraw/zinc/26/96/90/181269690.db2.gz JBDZDVLYEAXETB-VAMGGRTRSA-N 0 0 305.506 5.068 40 0 DKABRN CC(=O)N[C@H]1CC[C@H](C2CCCCC2)C[C@@H]1C1CCCCC1 ZINC000005663339 181269314 /nfs/dbraw/zinc/26/93/14/181269314.db2.gz JBDZDVLYEAXETB-ZCNNSNEGSA-N 0 0 305.506 5.068 40 0 DKABRN CC(=O)N[C@H]1CC[C@@H](C2CCCCC2)C[C@@H]1C1CCCCC1 ZINC000005663344 181269653 /nfs/dbraw/zinc/26/96/53/181269653.db2.gz JBDZDVLYEAXETB-AQNXPRMDSA-N 0 0 305.506 5.068 40 0 DKABRN O=C(Nc1ccccc1)N1c2ccccc2S[C@H]1c1ccco1 ZINC000005665111 181269228 /nfs/dbraw/zinc/26/92/28/181269228.db2.gz DHYIHAGZEUCINU-KRWDZBQOSA-N 0 0 322.389 5.123 40 0 DKABRN CCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005671671 181270267 /nfs/dbraw/zinc/27/02/67/181270267.db2.gz BDRCPSMZWCUQJC-NTEUORMPSA-N 0 0 313.828 5.335 40 0 DKABRN CCCCc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000005671680 563921079 /nfs/dbraw/zinc/92/10/79/563921079.db2.gz ZHHZLZVYRFUEPF-UHFFFAOYSA-N 0 0 301.817 5.243 40 0 DKABRN CCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000005671942 181270224 /nfs/dbraw/zinc/27/02/24/181270224.db2.gz HBSYDTPENRJEOQ-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000005671946 181270133 /nfs/dbraw/zinc/27/01/33/181270133.db2.gz MIRLGWFQXPTRIN-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(C)C ZINC000005673219 181270121 /nfs/dbraw/zinc/27/01/21/181270121.db2.gz QIAHEKYBFIHTCO-UHFFFAOYSA-N 0 0 319.404 5.224 40 0 DKABRN CCOc1ccccc1/C=C/c1cc(Cl)cc(Cl)c1OC ZINC000005673791 181270269 /nfs/dbraw/zinc/27/02/69/181270269.db2.gz OOKOAYGDNFKCQW-CMDGGOBGSA-N 0 0 323.219 5.571 40 0 DKABRN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000005673972 563921078 /nfs/dbraw/zinc/92/10/78/563921078.db2.gz IODPFDQBEAFXBE-GFCCVEGCSA-N 0 0 301.817 5.414 40 0 DKABRN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000005673978 563921189 /nfs/dbraw/zinc/92/11/89/563921189.db2.gz JLGRXUXBBVMUBN-CYBMUJFWSA-N 0 0 301.817 5.414 40 0 DKABRN CC[C@H](C)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000005674144 563921160 /nfs/dbraw/zinc/92/11/60/563921160.db2.gz IODPFDQBEAFXBE-LBPRGKRZSA-N 0 0 301.817 5.414 40 0 DKABRN CC[C@H](C)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000005674151 563590728 /nfs/dbraw/zinc/59/07/28/563590728.db2.gz JLGRXUXBBVMUBN-ZDUSSCGKSA-N 0 0 301.817 5.414 40 0 DKABRN Clc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1 ZINC000005680755 181271170 /nfs/dbraw/zinc/27/11/70/181271170.db2.gz KSOWLDVBAISEFT-PHEQNACWSA-N 0 0 318.807 5.471 40 0 DKABRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1 ZINC000005682644 563921117 /nfs/dbraw/zinc/92/11/17/563921117.db2.gz XXQMIQYLFNQRKF-UHFFFAOYSA-N 0 0 317.388 5.348 40 0 DKABRN Oc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1 ZINC000005687432 181272972 /nfs/dbraw/zinc/27/29/72/181272972.db2.gz KLNDWAAXAMYGRP-UHFFFAOYSA-N 0 0 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CCc1cccc(CC)c1NC(=O)CCc1ccc(Cl)cc1 ZINC000010412929 563357080 /nfs/dbraw/zinc/35/70/80/563357080.db2.gz JMWBWVBUWKMSHZ-UHFFFAOYSA-N 0 0 315.844 5.036 40 0 DKABRN Cc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000010433810 257218090 /nfs/dbraw/zinc/21/80/90/257218090.db2.gz FSKBALXBDZZYMQ-UHFFFAOYSA-N 0 0 315.416 5.233 40 0 DKABRN Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C ZINC000010433811 563356564 /nfs/dbraw/zinc/35/65/64/563356564.db2.gz ZXSJKXDCXAPNTL-UHFFFAOYSA-N 0 0 309.453 5.172 40 0 DKABRN CCc1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010433849 257218079 /nfs/dbraw/zinc/21/80/79/257218079.db2.gz CULYNVOCGQPCFY-UHFFFAOYSA-N 0 0 322.235 5.127 40 0 DKABRN Cc1ccc(Cl)cc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000010434350 563649296 /nfs/dbraw/zinc/64/92/96/563649296.db2.gz LFXOXHAGLIMYCY-UHFFFAOYSA-N 0 0 315.844 5.343 40 0 DKABRN O=C(CCc1ccccc1Cl)Nc1cccc2ccccc21 ZINC000010457467 563357310 /nfs/dbraw/zinc/35/73/10/563357310.db2.gz TYYZYKBTQHJMKR-UHFFFAOYSA-N 0 0 309.796 5.065 40 0 DKABRN CC(C)c1ccccc1NC(=O)CCc1ccccc1Cl ZINC000010458234 181671399 /nfs/dbraw/zinc/67/13/99/181671399.db2.gz HTMKFCAVSRFYSB-UHFFFAOYSA-N 0 0 301.817 5.035 40 0 DKABRN CC(C)(C)c1ccc(C(=O)NCCC2CCCCCC2)cc1 ZINC000010542444 181673569 /nfs/dbraw/zinc/67/35/69/181673569.db2.gz LEQRBSWILRWQIO-UHFFFAOYSA-N 0 0 301.474 5.074 40 0 DKABRN O=C(NCCC1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000010542461 563649110 /nfs/dbraw/zinc/64/91/10/563649110.db2.gz MYUDSLSBHINSID-UHFFFAOYSA-N 0 0 321.464 5.444 40 0 DKABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000010542741 563649689 /nfs/dbraw/zinc/64/96/89/563649689.db2.gz VMMIETHLLXRASG-GFCCVEGCSA-N 0 0 322.235 5.101 40 0 DKABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000010542743 563649674 /nfs/dbraw/zinc/64/96/74/563649674.db2.gz VMMIETHLLXRASG-LBPRGKRZSA-N 0 0 322.235 5.101 40 0 DKABRN O=C(Nc1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000011298794 563663947 /nfs/dbraw/zinc/66/39/47/563663947.db2.gz QCKDABPMHXQETH-UHFFFAOYSA-N 0 0 319.429 5.231 40 0 DKABRN CC(C)=CCC/C(C)=C/CC/C(=C\CC/C(C)=C\CO)CO ZINC000011616545 563358502 /nfs/dbraw/zinc/35/85/02/563358502.db2.gz SUWYPNNPLSRNPS-XPDJRWRPSA-N 0 0 306.490 5.097 40 0 in-vitro DKABRN CCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000011638352 568417785 /nfs/dbraw/zinc/41/77/85/568417785.db2.gz NVZZLROISXYPTJ-UHFFFAOYSA-N 0 0 303.814 5.269 40 0 DKABRN CC(C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000011638419 568417797 /nfs/dbraw/zinc/41/77/97/568417797.db2.gz FQRMOIPSNLPEHH-UHFFFAOYSA-N 0 0 303.814 5.125 40 0 DKABRN CC(C)(C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000011639094 181696734 /nfs/dbraw/zinc/69/67/34/181696734.db2.gz FWUHFTHUWXLXEK-UHFFFAOYSA-N 0 0 317.841 5.515 40 0 DKABRN Clc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000011919534 257136237 /nfs/dbraw/zinc/13/62/37/257136237.db2.gz DZCDERJEEHCRHG-UHFFFAOYSA-N 0 0 306.752 5.210 40 0 DKABRN CSc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000012249708 563365313 /nfs/dbraw/zinc/36/53/13/563365313.db2.gz JGSCBKKBOHYEIK-UHFFFAOYSA-N 0 0 318.401 5.279 40 0 DKABRN O=[N+]([O-])/C=C\c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000012367995 563366816 /nfs/dbraw/zinc/36/68/16/563366816.db2.gz HFTNZWSUCMVIGY-QXMHVHEDSA-N 0 0 314.344 5.236 40 0 DKABRN CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000012413875 181758858 /nfs/dbraw/zinc/75/88/58/181758858.db2.gz DIKQXCVHGTUWMD-ZPHPHTNESA-N 0 0 314.841 5.122 40 0 DKABRN Cc1ccc(NC(=O)C2[C@@H]3CCC[C@H]2C3c2ccccc2)cc1C ZINC000012462230 563369888 /nfs/dbraw/zinc/36/98/88/563369888.db2.gz UUYFCUCKYNHHLB-WHSGIHJSSA-N 0 0 319.448 5.072 40 0 DKABRN CC1=C[C@@H](C)[C@H](C2OCC3(CO2)[C@@H](C)C=C(C)C[C@@H]3C)[C@H](C)C1 ZINC000012491200 563652124 /nfs/dbraw/zinc/65/21/24/563652124.db2.gz CXAHWQODSLYXFB-MRRBZVTESA-N 0 0 318.501 5.206 40 0 DKABRN CC1=C[C@H](C)[C@H](C2OCC3(CO2)[C@@H](C)C=C(C)C[C@@H]3C)[C@H](C)C1 ZINC000012491221 181767408 /nfs/dbraw/zinc/76/74/08/181767408.db2.gz CXAHWQODSLYXFB-YHFLRGGCSA-N 0 0 318.501 5.206 40 0 DKABRN CCn1c(-c2ccccc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000012562025 181777165 /nfs/dbraw/zinc/77/71/65/181777165.db2.gz DBNZCUOVFNQCAT-MRCUWXFGSA-N 0 0 322.477 5.394 40 0 DKABRN CN(C)c1ccc([C@H]2O[C@@H]3CCCC[C@@H]3C3=CCCC[C@H]32)cc1 ZINC000012654754 181786164 /nfs/dbraw/zinc/78/61/64/181786164.db2.gz FMGWLRGHPXVIMS-XRXFAXGQSA-N 0 0 311.469 5.109 40 0 DKABRN CN(C)c1ccc([C@@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)cc1 ZINC000012654758 563652678 /nfs/dbraw/zinc/65/26/78/563652678.db2.gz FMGWLRGHPXVIMS-CGXNFDGLSA-N 0 0 311.469 5.109 40 0 DKABRN CN(C)c1ccc([C@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)cc1 ZINC000012654761 563653087 /nfs/dbraw/zinc/65/30/87/563653087.db2.gz FMGWLRGHPXVIMS-MXEMCNAFSA-N 0 0 311.469 5.109 40 0 DKABRN CC(C)=CC[C@@]1(C)O[C@@H](c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C ZINC000012658333 563928789 /nfs/dbraw/zinc/92/87/89/563928789.db2.gz WGPVZCWLQOOYBU-MYGLTJDJSA-N 0 0 310.481 6.154 40 0 DKABRN CC(C)=CC[C@]1(C)O[C@@H](c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C ZINC000012658336 563928990 /nfs/dbraw/zinc/92/89/90/563928990.db2.gz WGPVZCWLQOOYBU-CMOCDZPBSA-N 0 0 310.481 6.154 40 0 DKABRN CC(C)=CC[C@@]1(C)O[C@H](c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C ZINC000012658339 563928938 /nfs/dbraw/zinc/92/89/38/563928938.db2.gz WGPVZCWLQOOYBU-FNAHDJPLSA-N 0 0 310.481 6.154 40 0 DKABRN CC(C)=CC[C@]1(C)O[C@H](c2ccc(C)cc2)[C@H]2C[C@@H]1CC=C2C ZINC000012658342 563928948 /nfs/dbraw/zinc/92/89/48/563928948.db2.gz WGPVZCWLQOOYBU-KJJMTIBFSA-N 0 0 310.481 6.154 40 0 DKABRN Clc1ccc([C@@H]2SCc3nc4ccccc4n32)c(Cl)c1 ZINC000012942546 563375349 /nfs/dbraw/zinc/37/53/49/563375349.db2.gz HXSGDSWWWGAFBV-HNNXBMFYSA-N 0 0 321.232 5.137 40 0 DKABRN Clc1cccc([C@@H]2SCc3nc4ccccc4n32)c1Cl ZINC000012942618 563375578 /nfs/dbraw/zinc/37/55/78/563375578.db2.gz LYYXOZRAOOIZED-HNNXBMFYSA-N 0 0 321.232 5.137 40 0 DKABRN Clc1cccc(Cl)c1[C@H]1SCc2nc3ccccc3n21 ZINC000012942666 563375566 /nfs/dbraw/zinc/37/55/66/563375566.db2.gz NHXWVKNHPDSLDA-OAHLLOKOSA-N 0 0 321.232 5.137 40 0 DKABRN Cc1ccc(C)c(NC(=O)C2[C@@H]3CCC[C@H]2C3c2ccccc2)c1 ZINC000013151939 563657328 /nfs/dbraw/zinc/65/73/28/563657328.db2.gz NMQYKJQTOYRUHG-FWGXRIOKSA-N 0 0 319.448 5.072 40 0 DKABRN Cc1ccc(NC(=O)C2[C@@H]3CCC[C@H]2C3c2ccccc2)c(C)c1 ZINC000013151940 181834020 /nfs/dbraw/zinc/83/40/20/181834020.db2.gz KTYPVYNNNRCPAX-FWGXRIOKSA-N 0 0 319.448 5.072 40 0 DKABRN CCCCC[C@H](Cn1ccnc1)c1ccccc1Br ZINC000013207373 563379292 /nfs/dbraw/zinc/37/92/92/563379292.db2.gz VQJIIQOKWSSBBY-CQSZACIVSA-N 0 0 321.262 5.010 40 0 DKABRN CCCCC[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000013207375 563379479 /nfs/dbraw/zinc/37/94/79/563379479.db2.gz QTNKNJMXJBWXCT-CYBMUJFWSA-N 0 0 311.256 5.554 40 0 DKABRN c1ccc(CCC(CCc2ccccc2)c2ccncc2)cc1 ZINC000013208952 563379717 /nfs/dbraw/zinc/37/97/17/563379717.db2.gz RWNXMNLTEMDVIG-UHFFFAOYSA-N 0 0 301.433 5.431 40 0 DKABRN c1ccc(Cc2ncc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000013214335 563379719 /nfs/dbraw/zinc/37/97/19/563379719.db2.gz MSSWLGDWSVQIFC-UHFFFAOYSA-N 0 0 321.423 6.006 40 0 DKABRN CC(C)(C)C(=O)C[C@@H](Cc1nccc2ccccc21)c1ccco1 ZINC000013214621 563379527 /nfs/dbraw/zinc/37/95/27/563379527.db2.gz XWMKGRMEIDNBCD-MRXNPFEDSA-N 0 0 321.420 5.159 40 0 DKABRN c1ccc2c(c1)ccnc2CCCCc1nccc2ccccc21 ZINC000013281567 181840637 /nfs/dbraw/zinc/84/06/37/181840637.db2.gz AMOWKEXWAVSEQM-UHFFFAOYSA-N 0 0 312.416 5.348 40 0 DKABRN Clc1ccc(-c2nc3ccccc3cc2N2CCCCC2)cc1 ZINC000013283015 563379965 /nfs/dbraw/zinc/37/99/65/563379965.db2.gz VNIIZBWWVMUMIE-UHFFFAOYSA-N 0 0 322.839 5.546 40 0 DKABRN CCCCCc1cc2c3c(c1)O[C@@]1(C)CC[C@@H]([C@@H]3C1)C(C)(C)O2 ZINC000013382960 563929569 /nfs/dbraw/zinc/92/95/69/563929569.db2.gz IXJXRDCCQRZSDV-QYWGDWMGSA-N 0 0 314.469 5.625 40 0 in-vitro DKABRN CCCCCc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2 ZINC000013382961 563929496 /nfs/dbraw/zinc/92/94/96/563929496.db2.gz IXJXRDCCQRZSDV-MRUHUIDDSA-N 0 0 314.469 5.625 40 0 in-vitro DKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[C@@H](C)c1ccccc1 ZINC000013404597 181848226 /nfs/dbraw/zinc/84/82/26/181848226.db2.gz IYJGFAJKVHCJFH-RWQQGDIJSA-N 0 0 302.458 5.184 40 0 DKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc2ccccc2c1 ZINC000013405868 181848270 /nfs/dbraw/zinc/84/82/70/181848270.db2.gz SAWBTXMXQDTWAR-XPGWFJOJSA-N 0 0 310.437 5.457 40 0 DKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc2ccccc2c1 ZINC000013405881 181848535 /nfs/dbraw/zinc/84/85/35/181848535.db2.gz SAWBTXMXQDTWAR-YSGRDPCXSA-N 0 0 310.437 5.457 40 0 DKABRN CCc1c(C)ccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H](O)CC[C@]21C ZINC000013406865 563922745 /nfs/dbraw/zinc/92/27/45/563922745.db2.gz CUMSYFYSEMGAHO-FYLZUWAUSA-N 0 0 312.497 5.165 40 0 DKABRN CCCCC/C=C/C/C=C\CCCCCCCC(=O)OCC ZINC000013507204 563927465 /nfs/dbraw/zinc/92/74/65/563927465.db2.gz FMMOOAYVCKXGMF-UPDVNHGHSA-N 0 0 308.506 6.363 40 0 DKABRN CCCCC/C=C\C/C=C/CCCCCCCC(=O)OCC ZINC000013507206 563927504 /nfs/dbraw/zinc/92/75/04/563927504.db2.gz FMMOOAYVCKXGMF-UONSLQGUSA-N 0 0 308.506 6.363 40 0 DKABRN CCc1c(C)sc2[nH]c(-c3cccc(C)c3)nc(=S)c12 ZINC000013534260 563877540 /nfs/dbraw/zinc/87/75/40/563877540.db2.gz AQAFLMYAXWFQKM-UHFFFAOYSA-N 0 0 300.452 5.200 40 0 DKABRN CCc1c(C)sc2[nH]c(-c3ccccc3C)nc(=S)c12 ZINC000013534285 563877783 /nfs/dbraw/zinc/87/77/83/563877783.db2.gz UHIUAZHMOSJOCF-UHFFFAOYSA-N 0 0 300.452 5.200 40 0 DKABRN Cc1ccc(-c2nc(=S)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000013534518 181859177 /nfs/dbraw/zinc/85/91/77/181859177.db2.gz FXLILGRPAVYNGZ-UHFFFAOYSA-N 0 0 312.463 5.208 40 0 DKABRN Cc1ccccc1-c1nc(=S)c2c3c(sc2[nH]1)CCCC3 ZINC000013534544 563659801 /nfs/dbraw/zinc/65/98/01/563659801.db2.gz AJGVPSNAQONZBJ-UHFFFAOYSA-N 0 0 312.463 5.208 40 0 DKABRN Fc1ccc(-c2nc(=S)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000013534552 563659787 /nfs/dbraw/zinc/65/97/87/563659787.db2.gz AQLAZURBGNRHCF-UHFFFAOYSA-N 0 0 316.426 5.039 40 0 DKABRN S=c1nc(C2CCCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000013534556 563877677 /nfs/dbraw/zinc/87/76/77/563877677.db2.gz HHTHMUQHRDFMPF-UHFFFAOYSA-N 0 0 304.484 5.280 40 0 DKABRN Cc1ccc(-c2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000013534560 563659770 /nfs/dbraw/zinc/65/97/70/563659770.db2.gz LOCNUICGJFZFJW-UHFFFAOYSA-N 0 0 314.841 5.199 40 0 DKABRN CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(C4CC4)nc(=S)c23)C1 ZINC000013535043 563659760 /nfs/dbraw/zinc/65/97/60/563659760.db2.gz YXBCODPSGYAUQL-SNVBAGLBSA-N 0 0 318.511 5.382 40 0 DKABRN CC(C)(C)[C@H]1CCc2c(sc3[nH]c(C4CC4)nc(=S)c23)C1 ZINC000013535047 563659942 /nfs/dbraw/zinc/65/99/42/563659942.db2.gz YXBCODPSGYAUQL-JTQLQIEISA-N 0 0 318.511 5.382 40 0 DKABRN CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC ZINC000013541731 563877712 /nfs/dbraw/zinc/87/77/12/563877712.db2.gz XKGDWZQXVZSXAO-GFBZKKKVSA-N 0 0 312.494 5.168 40 0 in-vitro DKABRN CCCCOc1ccccc1C(=O)Nc1ccc2ccccc2c1 ZINC000013627254 333142433 /nfs/dbraw/zinc/14/24/33/333142433.db2.gz AAUJRWQCEYGNOT-UHFFFAOYSA-N 0 0 319.404 5.271 40 0 DKABRN O=C(Nc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000013627429 181870411 /nfs/dbraw/zinc/87/04/11/181870411.db2.gz QHIQAAKAJKWQLB-UHFFFAOYSA-N 0 0 316.187 5.399 40 0 DKABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013632493 568412534 /nfs/dbraw/zinc/41/25/34/568412534.db2.gz DBHSDNZDDSADCR-MRXNPFEDSA-N 0 0 309.453 5.092 40 0 DKABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013632495 181870768 /nfs/dbraw/zinc/87/07/68/181870768.db2.gz DBHSDNZDDSADCR-INIZCTEOSA-N 0 0 309.453 5.092 40 0 DKABRN c1ccc2c(c1)nc(NC1CCCCC1)nc2NC1CCCCC1 ZINC000013633724 563467290 /nfs/dbraw/zinc/46/72/90/563467290.db2.gz NZIIGEHBRMKNAO-UHFFFAOYSA-N 0 0 324.472 5.119 40 0 DKABRN c1sc(-c2ccccc2)nc1C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000013645672 181873308 /nfs/dbraw/zinc/87/33/08/181873308.db2.gz ZUOQJSAAALVSBB-OZSOSCRKSA-N 0 0 309.478 5.668 40 0 DKABRN C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013648792 563384085 /nfs/dbraw/zinc/38/40/85/563384085.db2.gz ASTQOMIHORBGMH-CYBMUJFWSA-N 0 0 315.844 5.129 40 0 DKABRN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013648794 563384545 /nfs/dbraw/zinc/38/45/45/563384545.db2.gz ASTQOMIHORBGMH-ZDUSSCGKSA-N 0 0 315.844 5.129 40 0 DKABRN O=C(NCCC1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000013670787 563384867 /nfs/dbraw/zinc/38/48/67/563384867.db2.gz ZGYBGKFIFRZUAC-UHFFFAOYSA-N 0 0 314.256 5.084 40 0 DKABRN C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013675856 181877492 /nfs/dbraw/zinc/87/74/92/181877492.db2.gz REIUMHOIURSUAT-CYBMUJFWSA-N 0 0 315.844 5.129 40 0 DKABRN C[C@H](NC(=O)c1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013675858 563385435 /nfs/dbraw/zinc/38/54/35/563385435.db2.gz REIUMHOIURSUAT-ZDUSSCGKSA-N 0 0 315.844 5.129 40 0 DKABRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013676025 563385615 /nfs/dbraw/zinc/38/56/15/563385615.db2.gz PVHWRCIBIFRRMF-QGZVFWFLSA-N 0 0 323.480 5.103 40 0 DKABRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013676027 563385701 /nfs/dbraw/zinc/38/57/01/563385701.db2.gz PVHWRCIBIFRRMF-KRWDZBQOSA-N 0 0 323.480 5.103 40 0 DKABRN CC(C)c1ccccc1NC(=O)CCSCc1ccccc1 ZINC000013688070 563386056 /nfs/dbraw/zinc/38/60/56/563386056.db2.gz VOVYKLNKYBLNLC-UHFFFAOYSA-N 0 0 313.466 5.072 40 0 DKABRN CC(C)C(NC(=O)CC(c1ccccc1)c1ccccc1)C(C)C ZINC000013716985 563387242 /nfs/dbraw/zinc/38/72/42/563387242.db2.gz YJOLMPZRBCMQAQ-UHFFFAOYSA-N 0 0 323.480 5.005 40 0 DKABRN CCCCCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717208 563387575 /nfs/dbraw/zinc/38/75/75/563387575.db2.gz ABIIVJXKWSWLDM-UHFFFAOYSA-N 0 0 312.438 5.189 40 0 DKABRN CC(C)CCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717210 563387554 /nfs/dbraw/zinc/38/75/54/563387554.db2.gz YGZKXIJKOKPLCD-UHFFFAOYSA-N 0 0 312.438 5.045 40 0 DKABRN CCCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013786459 563389511 /nfs/dbraw/zinc/38/95/11/563389511.db2.gz YSCQKGVHIPJKBW-UHFFFAOYSA-N 0 0 318.873 5.492 40 0 DKABRN Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000013786486 181896511 /nfs/dbraw/zinc/89/65/11/181896511.db2.gz ABGGDHFADVTQSD-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl ZINC000013786490 181896649 /nfs/dbraw/zinc/89/66/49/181896649.db2.gz AHCZMZXMHCFFQR-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 ZINC000013786491 181896558 /nfs/dbraw/zinc/89/65/58/181896558.db2.gz XICDQJSDYLVQGB-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1c(Cl)cccc1NC(=S)Nc1ccccc1Cl ZINC000013787082 181896562 /nfs/dbraw/zinc/89/65/62/181896562.db2.gz QJNUTIDDVKOQHJ-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(NC(=S)Nc2ccccc2Cl)cc1Cl ZINC000013787084 181896495 /nfs/dbraw/zinc/89/64/95/181896495.db2.gz NWAQRANHMFKATO-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000013787922 181896550 /nfs/dbraw/zinc/89/65/50/181896550.db2.gz SEROBMZNHNLLEJ-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000013788196 563389526 /nfs/dbraw/zinc/38/95/26/563389526.db2.gz LWULMBGJIWASPT-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000013788285 181896704 /nfs/dbraw/zinc/89/67/04/181896704.db2.gz RSQFOUCRKYITRQ-UHFFFAOYSA-N 0 0 311.237 5.111 40 0 DKABRN Cc1ccc(C)c(NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000013788751 181897361 /nfs/dbraw/zinc/89/73/61/181897361.db2.gz FABKDIWOKMVYMX-UHFFFAOYSA-N 0 0 324.371 5.131 40 0 DKABRN Cc1cc(C)cc(NC(=S)Nc2ccc(C)c(Cl)c2)c1 ZINC000013788780 181897022 /nfs/dbraw/zinc/89/70/22/181897022.db2.gz TTXYCKOGRXRTPV-UHFFFAOYSA-N 0 0 304.846 5.074 40 0 DKABRN Cc1cc(C)cc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013788785 181897090 /nfs/dbraw/zinc/89/70/90/181897090.db2.gz LGWHUGHWXIDZKN-UHFFFAOYSA-N 0 0 324.371 5.131 40 0 DKABRN Cc1ccc(NC(=S)Nc2c(C)cccc2C)cc1Cl ZINC000013788827 181897108 /nfs/dbraw/zinc/89/71/08/181897108.db2.gz PBZZYBWCPLGSKG-UHFFFAOYSA-N 0 0 304.846 5.074 40 0 DKABRN Cc1cccc(C)c1NC(=S)Nc1ccccc1C(F)(F)F ZINC000013788834 181896999 /nfs/dbraw/zinc/89/69/99/181896999.db2.gz RUPMYQWLIVKKNQ-UHFFFAOYSA-N 0 0 324.371 5.131 40 0 DKABRN Cc1cc(C)c(NC(=S)Nc2ccc(Cl)cc2)c(C)c1 ZINC000013788876 181896950 /nfs/dbraw/zinc/89/69/50/181896950.db2.gz CRRDYCSYIMTNLF-UHFFFAOYSA-N 0 0 304.846 5.074 40 0 DKABRN Cc1cc(C)c(NC(=S)Nc2cccc(Cl)c2C)c(C)c1 ZINC000013788894 181897311 /nfs/dbraw/zinc/89/73/11/181897311.db2.gz CWXKVSDIXWGAQV-UHFFFAOYSA-N 0 0 318.873 5.383 40 0 DKABRN CCc1cccc(C)c1NC(=S)Nc1ccc(Cl)cc1 ZINC000013788952 181897338 /nfs/dbraw/zinc/89/73/38/181897338.db2.gz HOVYVWLYGSDFAC-UHFFFAOYSA-N 0 0 304.846 5.020 40 0 DKABRN CCc1cccc(CC)c1NC(=S)Nc1ccc(Cl)cc1 ZINC000013789027 563389474 /nfs/dbraw/zinc/38/94/74/563389474.db2.gz HIHKWXNZHCAOBO-UHFFFAOYSA-N 0 0 318.873 5.274 40 0 DKABRN CCc1ccccc1NC(=S)Nc1cccc(Cl)c1C ZINC000013789110 181897167 /nfs/dbraw/zinc/89/71/67/181897167.db2.gz VHLDHQVJBBZKBK-UHFFFAOYSA-N 0 0 304.846 5.020 40 0 DKABRN CCc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000013789251 181897317 /nfs/dbraw/zinc/89/73/17/181897317.db2.gz XUVCOJKGXFMIDK-UHFFFAOYSA-N 0 0 304.846 5.020 40 0 DKABRN CCc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000013789262 181896917 /nfs/dbraw/zinc/89/69/17/181896917.db2.gz CDAUACGPCLHKPZ-UHFFFAOYSA-N 0 0 324.371 5.077 40 0 DKABRN CC(C)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000013789372 563389303 /nfs/dbraw/zinc/38/93/03/563389303.db2.gz JYGXXSMKMVPGPI-UHFFFAOYSA-N 0 0 304.846 5.272 40 0 DKABRN CC[C@@H](C)c1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000013793565 563389695 /nfs/dbraw/zinc/38/96/95/563389695.db2.gz HYJXNAUYCFPTGM-GFCCVEGCSA-N 0 0 302.418 5.148 40 0 DKABRN CC[C@H](C)c1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000013793567 563389446 /nfs/dbraw/zinc/38/94/46/563389446.db2.gz HYJXNAUYCFPTGM-LBPRGKRZSA-N 0 0 302.418 5.148 40 0 DKABRN S=C(Nc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 ZINC000013799235 257231676 /nfs/dbraw/zinc/23/16/76/257231676.db2.gz XDORXPXXUMNTPA-UHFFFAOYSA-N 0 0 312.825 5.302 40 0 DKABRN S=C(Nc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000013812370 563663478 /nfs/dbraw/zinc/66/34/78/563663478.db2.gz YXMNAGHCLWXEHI-UHFFFAOYSA-N 0 0 320.417 5.288 40 0 DKABRN Cc1cccc(C(C)C)c1NC(=S)Nc1ccc(Cl)cc1 ZINC000013812430 563389492 /nfs/dbraw/zinc/38/94/92/563389492.db2.gz QXTDETFPSGKTBM-UHFFFAOYSA-N 0 0 318.873 5.581 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000013816117 563390281 /nfs/dbraw/zinc/39/02/81/563390281.db2.gz NVPAPQNVMCYVMS-HNNXBMFYSA-N 0 0 312.482 5.166 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000013816120 563390035 /nfs/dbraw/zinc/39/00/35/563390035.db2.gz NVPAPQNVMCYVMS-OAHLLOKOSA-N 0 0 312.482 5.166 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000013816205 563390137 /nfs/dbraw/zinc/39/01/37/563390137.db2.gz VUJDFBLOCZKLLN-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000013816208 563389971 /nfs/dbraw/zinc/38/99/71/563389971.db2.gz VUJDFBLOCZKLLN-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN S=C(Nc1ccc(Cl)c(Cl)c1)NC1CCCCCC1 ZINC000013818420 181901727 /nfs/dbraw/zinc/90/17/27/181901727.db2.gz JNXDSKNDHJGLFR-UHFFFAOYSA-N 0 0 317.285 5.003 40 0 DKABRN CC(C)c1ccc(NC(=S)NC2CCCCCCC2)cc1 ZINC000013818517 563390004 /nfs/dbraw/zinc/39/00/04/563390004.db2.gz HYRDUNUQUAZMKI-UHFFFAOYSA-N 0 0 304.503 5.209 40 0 DKABRN Cc1ccc(NC(=S)NC2CCCCCCC2)cc1Cl ZINC000013818546 563390091 /nfs/dbraw/zinc/39/00/91/563390091.db2.gz KDPGKGXZPHMONI-UHFFFAOYSA-N 0 0 310.894 5.048 40 0 DKABRN CC(C)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 ZINC000013823316 563389880 /nfs/dbraw/zinc/38/98/80/563389880.db2.gz OBOMJLNZHAAJLZ-LJQANCHMSA-N 0 0 324.493 5.174 40 0 DKABRN CC(C)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 ZINC000013823318 563390076 /nfs/dbraw/zinc/39/00/76/563390076.db2.gz OBOMJLNZHAAJLZ-IBGZPJMESA-N 0 0 324.493 5.174 40 0 DKABRN c1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000013831185 563663449 /nfs/dbraw/zinc/66/34/49/563663449.db2.gz ACNHQLPZRHWIAD-UHFFFAOYSA-N 0 0 317.413 5.542 40 0 DKABRN c1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000013831186 563663408 /nfs/dbraw/zinc/66/34/08/563663408.db2.gz QBRMZNCNHVWRHS-UHFFFAOYSA-N 0 0 317.413 5.542 40 0 DKABRN Fc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1 ZINC000013841465 181906942 /nfs/dbraw/zinc/90/69/42/181906942.db2.gz JPKQKROLCFABCS-UHFFFAOYSA-N 0 0 322.408 5.302 40 0 DKABRN CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO ZINC000013907151 563391428 /nfs/dbraw/zinc/39/14/28/563391428.db2.gz SUWYPNNPLSRNPS-UNTSEYQFSA-N 0 0 306.490 5.097 40 0 biogenic,in-man DKABRN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 ZINC000013915949 181909096 /nfs/dbraw/zinc/90/90/96/181909096.db2.gz GVMUWIDDVJSCEE-UHFFFAOYSA-N 0 0 301.389 5.223 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C ZINC000013930824 563392211 /nfs/dbraw/zinc/39/22/11/563392211.db2.gz SMTCVFNUZMBKHW-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C ZINC000013930825 181910444 /nfs/dbraw/zinc/91/04/44/181910444.db2.gz SMTCVFNUZMBKHW-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2cccc(Cl)c2)cc1C ZINC000013930826 563392038 /nfs/dbraw/zinc/39/20/38/563392038.db2.gz TXLMNQJCMOKTAG-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2cccc(Cl)c2)cc1C ZINC000013930827 563392002 /nfs/dbraw/zinc/39/20/02/563392002.db2.gz TXLMNQJCMOKTAG-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2Cl)cc1C ZINC000013930828 563391991 /nfs/dbraw/zinc/39/19/91/563391991.db2.gz RSZQSYOSYKVLLW-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccccc2Cl)cc1C ZINC000013930829 563392143 /nfs/dbraw/zinc/39/21/43/563392143.db2.gz RSZQSYOSYKVLLW-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013931180 563392028 /nfs/dbraw/zinc/39/20/28/563392028.db2.gz DCAFJAMOIMIDSJ-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013931181 181910578 /nfs/dbraw/zinc/91/05/78/181910578.db2.gz DCAFJAMOIMIDSJ-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(Cl)c2)c1 ZINC000013931182 563392078 /nfs/dbraw/zinc/39/20/78/563392078.db2.gz WMAMRHAIZAVWNK-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(Cl)c2)c1 ZINC000013931183 563391995 /nfs/dbraw/zinc/39/19/95/563391995.db2.gz WMAMRHAIZAVWNK-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccccc2Cl)c1 ZINC000013931184 563392066 /nfs/dbraw/zinc/39/20/66/563392066.db2.gz LRBQDQFQJQJXGU-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccccc2Cl)c1 ZINC000013931185 563392012 /nfs/dbraw/zinc/39/20/12/563392012.db2.gz LRBQDQFQJQJXGU-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2cccc(Cl)c2)c(C)c1 ZINC000013931344 563392063 /nfs/dbraw/zinc/39/20/63/563392063.db2.gz PGFKGQCWKXCLMT-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2cccc(Cl)c2)c(C)c1 ZINC000013931345 563392201 /nfs/dbraw/zinc/39/22/01/563392201.db2.gz PGFKGQCWKXCLMT-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2Cl)c(C)c1 ZINC000013931346 563392224 /nfs/dbraw/zinc/39/22/24/563392224.db2.gz PZIUMLGFGAGCCC-CYBMUJFWSA-N 0 0 318.873 5.004 40 0 DKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccccc2Cl)c(C)c1 ZINC000013931347 563391981 /nfs/dbraw/zinc/39/19/81/563391981.db2.gz PZIUMLGFGAGCCC-ZDUSSCGKSA-N 0 0 318.873 5.004 40 0 DKABRN CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000013931524 181910398 /nfs/dbraw/zinc/91/03/98/181910398.db2.gz YBLRXEHUPXFHHM-GOSISDBHSA-N 0 0 312.482 5.248 40 0 DKABRN CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000013931525 563392146 /nfs/dbraw/zinc/39/21/46/563392146.db2.gz YBLRXEHUPXFHHM-SFHVURJKSA-N 0 0 312.482 5.248 40 0 DKABRN CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000013931550 563392823 /nfs/dbraw/zinc/39/28/23/563392823.db2.gz VSDORTPVHCXGMU-MRXNPFEDSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000013931551 563392689 /nfs/dbraw/zinc/39/26/89/563392689.db2.gz VSDORTPVHCXGMU-INIZCTEOSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000013931666 563392737 /nfs/dbraw/zinc/39/27/37/563392737.db2.gz JVGRFKZFRDYNJR-MRXNPFEDSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000013931667 563392771 /nfs/dbraw/zinc/39/27/71/563392771.db2.gz JVGRFKZFRDYNJR-INIZCTEOSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000013931668 563392604 /nfs/dbraw/zinc/39/26/04/563392604.db2.gz MEEVEURDUOBXST-MRXNPFEDSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000013931669 563392607 /nfs/dbraw/zinc/39/26/07/563392607.db2.gz MEEVEURDUOBXST-INIZCTEOSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)cc1 ZINC000013931670 563392780 /nfs/dbraw/zinc/39/27/80/563392780.db2.gz BHXTYPXZJAGMNN-OAHLLOKOSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)cc1 ZINC000013931671 563392631 /nfs/dbraw/zinc/39/26/31/563392631.db2.gz BHXTYPXZJAGMNN-HNNXBMFYSA-N 0 0 318.873 5.086 40 0 DKABRN CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1 ZINC000013931700 563392617 /nfs/dbraw/zinc/39/26/17/563392617.db2.gz LTIUNPATIJSRKD-QGZVFWFLSA-N 0 0 312.482 5.050 40 0 DKABRN CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1 ZINC000013931701 181911090 /nfs/dbraw/zinc/91/10/90/181911090.db2.gz LTIUNPATIJSRKD-KRWDZBQOSA-N 0 0 312.482 5.050 40 0 DKABRN CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000014029862 181920803 /nfs/dbraw/zinc/92/08/03/181920803.db2.gz HULFFZPETHWBDV-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCCOc1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000014031939 563665169 /nfs/dbraw/zinc/66/51/69/563665169.db2.gz HLGKSFAQBSHGJG-UHFFFAOYSA-N 0 0 319.404 5.271 40 0 DKABRN CCCCOc1ccccc1C(=O)Nc1cccc(Cl)c1C ZINC000014031993 181921556 /nfs/dbraw/zinc/92/15/56/181921556.db2.gz HIDSABYYLJQJEO-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCCOc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000014032027 563665206 /nfs/dbraw/zinc/66/52/06/563665206.db2.gz ZETPSHJWPNGNOK-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1C ZINC000014032062 563665361 /nfs/dbraw/zinc/66/53/61/563665361.db2.gz VFOGNHBZBQCZFZ-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCOc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014036487 563665299 /nfs/dbraw/zinc/66/52/99/563665299.db2.gz QVDOBOYEUXWEMB-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN 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/nfs/dbraw/zinc/04/95/94/182049594.db2.gz FLVCXYIAILWNSJ-UHFFFAOYSA-N 0 0 310.894 5.080 40 0 DKABRN CC1(C)c2ccccc2-c2ccc(-c3nccc4ccccc43)cc21 ZINC000016605537 182053434 /nfs/dbraw/zinc/05/34/34/182053434.db2.gz UCAPEQBJBMYCNV-UHFFFAOYSA-N 0 0 321.423 6.208 40 0 DKABRN CC1=NN(c2ccccc2)[C@@H]2S[C@H](c3ccccc3)C=C(C)[C@@H]12 ZINC000016607177 182053130 /nfs/dbraw/zinc/05/31/30/182053130.db2.gz UQLYKMAHZIEUDT-SLFFLAALSA-N 0 0 320.461 5.259 40 0 DKABRN CC1=NN(c2ccccc2)[C@@H]2S[C@@H](c3ccccc3)C=C(C)[C@@H]12 ZINC000016607180 182053019 /nfs/dbraw/zinc/05/30/19/182053019.db2.gz UQLYKMAHZIEUDT-HSALFYBXSA-N 0 0 320.461 5.259 40 0 DKABRN CC1=NN(c2ccccc2)[C@H]2S[C@H](c3ccccc3)C=C(C)[C@@H]12 ZINC000016607183 182053179 /nfs/dbraw/zinc/05/31/79/182053179.db2.gz UQLYKMAHZIEUDT-UFYCRDLUSA-N 0 0 320.461 5.259 40 0 DKABRN CC1=NN(c2ccccc2)[C@H]2S[C@@H](c3ccccc3)C=C(C)[C@@H]12 ZINC000016607186 182053117 /nfs/dbraw/zinc/05/31/17/182053117.db2.gz UQLYKMAHZIEUDT-AABGKKOBSA-N 0 0 320.461 5.259 40 0 DKABRN C[C@@H]1CC(C)(C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000016608518 563412923 /nfs/dbraw/zinc/41/29/23/563412923.db2.gz FQBVSTLXDWTREA-CYBMUJFWSA-N 0 0 313.828 5.273 40 0 DKABRN C[C@H]1CC(C)(C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000016608520 563413029 /nfs/dbraw/zinc/41/30/29/563413029.db2.gz FQBVSTLXDWTREA-ZDUSSCGKSA-N 0 0 313.828 5.273 40 0 DKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc(Cl)cc1 ZINC000016608645 182053587 /nfs/dbraw/zinc/05/35/87/182053587.db2.gz CEPVTJONKPMMAZ-KCXAZCMYSA-N 0 0 309.837 5.349 40 0 DKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc(Cl)cc1 ZINC000016608647 182053665 /nfs/dbraw/zinc/05/36/65/182053665.db2.gz CEPVTJONKPMMAZ-WQVCFCJDSA-N 0 0 309.837 5.349 40 0 DKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc(Cl)c1 ZINC000016608653 182053562 /nfs/dbraw/zinc/05/35/62/182053562.db2.gz JGIQJLMHIJMRMD-KCXAZCMYSA-N 0 0 309.837 5.349 40 0 DKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc(Cl)c1 ZINC000016608655 182053612 /nfs/dbraw/zinc/05/36/12/182053612.db2.gz JGIQJLMHIJMRMD-WQVCFCJDSA-N 0 0 309.837 5.349 40 0 DKABRN CC[C@@H](C)c1ccccc1NC(=O)Nc1cccc2ccccc21 ZINC000016611272 563413015 /nfs/dbraw/zinc/41/30/15/563413015.db2.gz SYSJFVLNNRKYJU-OAHLLOKOSA-N 0 0 318.420 5.997 40 0 DKABRN CC[C@H](C)c1ccccc1NC(=O)Nc1cccc2ccccc21 ZINC000016611274 563412975 /nfs/dbraw/zinc/41/29/75/563412975.db2.gz SYSJFVLNNRKYJU-HNNXBMFYSA-N 0 0 318.420 5.997 40 0 DKABRN CCCCC(=O)Nc1cc(C)cc(-c2nc3ccc(C)cc3o2)c1 ZINC000016637578 182054764 /nfs/dbraw/zinc/05/47/64/182054764.db2.gz LTIDOYXYXORXKH-UHFFFAOYSA-N 0 0 322.408 5.240 40 0 DKABRN CCCC[C@@H](CC)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016637655 182054889 /nfs/dbraw/zinc/05/48/89/182054889.db2.gz FEFNMBATLOLIAG-SNVBAGLBSA-N 0 0 321.770 5.514 40 0 DKABRN CCCC[C@H](CC)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016637658 182054614 /nfs/dbraw/zinc/05/46/14/182054614.db2.gz FEFNMBATLOLIAG-JTQLQIEISA-N 0 0 321.770 5.514 40 0 DKABRN CCCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000016637999 182054623 /nfs/dbraw/zinc/05/46/23/182054623.db2.gz QXXKVYDDZLUUAY-UHFFFAOYSA-N 0 0 322.758 5.061 40 0 DKABRN CCCCCCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000016638424 182055002 /nfs/dbraw/zinc/05/50/02/182055002.db2.gz KJSBEXDIFYMZEF-UHFFFAOYSA-N 0 0 314.404 5.593 40 0 DKABRN CCCCCCc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000016638432 182054963 /nfs/dbraw/zinc/05/49/63/182054963.db2.gz XQEQRXJNYRRCKA-UHFFFAOYSA-N 0 0 315.844 5.715 40 0 DKABRN CCCCCCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000016638438 182054664 /nfs/dbraw/zinc/05/46/64/182054664.db2.gz DEFGJHULPWTGRR-UHFFFAOYSA-N 0 0 315.844 5.715 40 0 DKABRN CCCCCCc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000016638444 182054886 /nfs/dbraw/zinc/05/48/86/182054886.db2.gz SGUIQFHWFCOKCH-UHFFFAOYSA-N 0 0 312.482 5.618 40 0 DKABRN CCCCN(C(=S)Nc1ccccc1Cl)c1ccccc1 ZINC000016638787 182055088 /nfs/dbraw/zinc/05/50/88/182055088.db2.gz DWDPEQIQYGYRMK-UHFFFAOYSA-N 0 0 318.873 5.344 40 0 DKABRN CCCCOc1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000016639276 182054615 /nfs/dbraw/zinc/05/46/15/182054615.db2.gz MDOCUADASWHTOV-UHFFFAOYSA-N 0 0 303.446 5.165 40 0 DKABRN Cc1cc(C)c([C@@H]2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1 ZINC000016696964 182058002 /nfs/dbraw/zinc/05/80/02/182058002.db2.gz BKASBJLHMOIWFJ-HXUWFJFHSA-N 0 0 307.481 5.531 40 0 DKABRN Cc1cc(C)c([C@H]2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1 ZINC000016696966 182057931 /nfs/dbraw/zinc/05/79/31/182057931.db2.gz BKASBJLHMOIWFJ-FQEVSTJZSA-N 0 0 307.481 5.531 40 0 DKABRN Cc1cc(C)c(-c2ccn(-c3c(C)cc(C)cc3C)c2)c(C)c1 ZINC000016696967 182058123 /nfs/dbraw/zinc/05/81/23/182058123.db2.gz QFJMJIGSFISVJH-UHFFFAOYSA-N 0 0 303.449 5.995 40 0 DKABRN CCN1c2ccccc2S/C1=C\c1nc2ccccc2s1 ZINC000016756499 182059965 /nfs/dbraw/zinc/05/99/65/182059965.db2.gz NKLIWRKOCQNQEE-BOPFTXTBSA-N 0 0 310.447 5.227 40 0 DKABRN CCCC[C@@H](CC)COP(O)OC[C@@H](CC)CCCC ZINC000016891927 182062569 /nfs/dbraw/zinc/06/25/69/182062569.db2.gz HDIBKVVPMJKRGL-NYTJIUQPSA-N 0 0 306.427 5.672 40 0 DKABRN c1ccc(C(=C2[C@@H]3CC[C@H]2[C@H]2CSC[C@H]32)c2ccccc2)cc1 ZINC000016931147 182064940 /nfs/dbraw/zinc/06/49/40/182064940.db2.gz GHXMOPMYGNUAGI-IYWMVGAKSA-N 0 0 318.485 5.508 40 0 DKABRN Clc1ccc2ccccc2c1/C=C/c1nc2ccccc2s1 ZINC000016931258 182065024 /nfs/dbraw/zinc/06/50/24/182065024.db2.gz PTNLONGVLIREFR-ZRDIBKRKSA-N 0 0 321.832 6.273 40 0 DKABRN C(=C1\CC(c2ccccc2)(c2ccccc2)N=N1)\c1ccccc1 ZINC000016952780 182066108 /nfs/dbraw/zinc/06/61/08/182066108.db2.gz OOCXKMPREUWYGX-LTGZKZEYSA-N 0 0 310.400 5.827 40 0 DKABRN C[C@@H]1C=C[C@H](C)c2c(-c3ccccc3)oc(-c3ccccc3)c21 ZINC000016955406 182066043 /nfs/dbraw/zinc/06/60/43/182066043.db2.gz NOPRCCNEWZCJGU-IYBDPMFKSA-N 0 0 300.401 6.390 40 0 DKABRN Clc1ccc(/C=C/c2nc3ccccc3s2)cc1Cl ZINC000016958684 182066749 /nfs/dbraw/zinc/06/67/49/182066749.db2.gz XCPIFYWAYGORLC-SOFGYWHQSA-N 0 0 306.217 5.774 40 0 DKABRN Cc1cc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc12 ZINC000016975460 182067111 /nfs/dbraw/zinc/06/71/11/182067111.db2.gz AKKMNAAJYHJYNL-SOFGYWHQSA-N 0 0 314.215 6.020 40 0 DKABRN Fc1ccc(/C=C/c2ccc(/C=C/c3ccc(F)cc3)nn2)cc1 ZINC000017002739 182067661 /nfs/dbraw/zinc/06/76/61/182067661.db2.gz GRCLSBNWVDESSS-YDWXAUTNSA-N 0 0 320.342 5.096 40 0 DKABRN CC(=O)c1ccc([C@@H]2CCC[C@@H]2c2ccc(C(C)=O)cc2)cc1 ZINC000017005664 182067758 /nfs/dbraw/zinc/06/77/58/182067758.db2.gz IDNMKLUQPYDQOL-OYRHEFFESA-N 0 0 306.405 5.143 40 0 DKABRN Brc1cccc2nc(/C=C/c3ccccc3)ccc12 ZINC000017021257 182068407 /nfs/dbraw/zinc/06/84/07/182068407.db2.gz HTIQKTRJUNMVAX-MDZDMXLPSA-N 0 0 310.194 5.168 40 0 DKABRN CCCCOP(=O)(/C=C\c1cccs1)OCCCC ZINC000017023509 182068160 /nfs/dbraw/zinc/06/81/60/182068160.db2.gz XKEOVAFJRWAELH-XFXZXTDPSA-N 0 0 302.376 5.545 40 0 DKABRN CCCCc1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000017052631 182071390 /nfs/dbraw/zinc/07/13/90/182071390.db2.gz TXXBOODGXBYKEP-BUHFOSPRSA-N 0 0 313.828 5.335 40 0 DKABRN CCCCn1nc(C)c2c1nc(-c1ccccc1)cc2C(F)F ZINC000017053218 182071233 /nfs/dbraw/zinc/07/12/33/182071233.db2.gz DHAOENUHCKDYMU-UHFFFAOYSA-N 0 0 315.367 5.144 40 0 DKABRN Cc1ccccc1-c1cc(-c2ccccc2C)n(C2CCCC2)n1 ZINC000017054023 182072291 /nfs/dbraw/zinc/07/22/91/182072291.db2.gz GKTSGNLZZKRMDG-UHFFFAOYSA-N 0 0 316.448 5.949 40 0 DKABRN Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccccc3)n2)c1 ZINC000017066475 182074104 /nfs/dbraw/zinc/07/41/04/182074104.db2.gz CLWBUZGKCCKEEC-UHFFFAOYSA-N 0 0 324.427 5.823 40 0 DKABRN CCCCC[C@@H](Cn1ccnc1)c1ccccc1Br ZINC000017106764 182074772 /nfs/dbraw/zinc/07/47/72/182074772.db2.gz VQJIIQOKWSSBBY-AWEZNQCLSA-N 0 0 321.262 5.010 40 0 DKABRN CCCCC[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000017106768 182075072 /nfs/dbraw/zinc/07/50/72/182075072.db2.gz QTNKNJMXJBWXCT-ZDUSSCGKSA-N 0 0 311.256 5.554 40 0 DKABRN C=C=C/C=C/C=C\Oc1ccc(C=O)cc1O/C=C\C=C\C=C=C ZINC000017111144 182075547 /nfs/dbraw/zinc/07/55/47/182075547.db2.gz DDCBGRLONHRLPJ-JDVYYCAWSA-N 0 0 318.372 5.079 40 0 DKABRN Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc32)cc1 ZINC000017160337 182078096 /nfs/dbraw/zinc/07/80/96/182078096.db2.gz GBOFKEUYLWUOBI-BSYVCWPDSA-N 0 0 311.384 5.641 40 0 DKABRN CCCCCC[C@@H](C)OP(O)O[C@@H](C)CCCCCC ZINC000017162631 182078111 /nfs/dbraw/zinc/07/81/11/182078111.db2.gz LNPGRNRJLBBPJA-NYTJIUQPSA-N 0 0 306.427 5.957 40 0 DKABRN CC(C)=CCC/C(C)=C\CC/C(C)=C\[C@@H]1CCC(=O)C1(C)C ZINC000017214288 182080228 /nfs/dbraw/zinc/08/02/28/182080228.db2.gz KVSORZUJEYCZRK-IBFDPUANSA-N 0 0 302.502 6.411 40 0 DKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C\[C@@H]1CCC(=O)C1(C)C ZINC000017214291 182079771 /nfs/dbraw/zinc/07/97/71/182079771.db2.gz KVSORZUJEYCZRK-UFBCTPETSA-N 0 0 302.502 6.411 40 0 DKABRN CC(C)=CCC/C(C)=C\CC/C(C)=C/[C@@H]1CCC(=O)C1(C)C ZINC000017214294 182079731 /nfs/dbraw/zinc/07/97/31/182079731.db2.gz KVSORZUJEYCZRK-VUPSNUSQSA-N 0 0 302.502 6.411 40 0 DKABRN COc1ccc(/C(=C(\c2ccc(OC)cc2)C2CC2)C2CC2)cc1 ZINC000017289572 182080820 /nfs/dbraw/zinc/08/08/20/182080820.db2.gz WQLXJKNXCMRHHS-DQRAZIAOSA-N 0 0 320.432 5.435 40 0 DKABRN CC[C@H](CCC(C)C)O[P@@H](=O)O[C@@H](CC)CCC(C)C ZINC000017289749 182080629 /nfs/dbraw/zinc/08/06/29/182080629.db2.gz AOGDGBDCEHHXEN-IYBDPMFKSA-N 0 0 306.427 5.839 40 0 DKABRN COC(=O)CCCCCCCC[C@@H](C)c1ccc(C(C)=O)cc1 ZINC000017299618 182081554 /nfs/dbraw/zinc/08/15/54/182081554.db2.gz YFSXQBFADGXLJI-MRXNPFEDSA-N 0 0 318.457 5.287 40 0 DKABRN CCC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21C ZINC000017300371 563670764 /nfs/dbraw/zinc/67/07/64/563670764.db2.gz DHNOEZIFYVQNAG-QHOCJJNXSA-N 0 0 302.502 5.480 40 0 DKABRN CCCCC/C(=C\c1ccccc1)C1OCC(CC)(CC)CO1 ZINC000017303491 182082273 /nfs/dbraw/zinc/08/22/73/182082273.db2.gz NMKGULKWAMFIGO-XDJHFCHBSA-N 0 0 316.485 5.830 40 0 DKABRN O=C(/C=C\c1ccccc1)N(c1ccccc1)C1CCCCC1 ZINC000017313347 182082846 /nfs/dbraw/zinc/08/28/46/182082846.db2.gz JWKNPFGGQLLITJ-MSUUIHNZSA-N 0 0 305.421 5.066 40 0 DKABRN O=C(/C=C\c1ccccc1)N(C1CCCCC1)C1CCCCC1 ZINC000017313349 182082670 /nfs/dbraw/zinc/08/26/70/182082670.db2.gz FOKZJALMFBFBJA-MSUUIHNZSA-N 0 0 311.469 5.194 40 0 DKABRN C[C@@H]1CC(c2ccccc2)C[C@H](C)N1c1ccc2ccccc2c1 ZINC000017313927 563414330 /nfs/dbraw/zinc/41/43/30/563414330.db2.gz LOJDWQSSSQCCIU-VSOVRNOCSA-N 0 0 315.460 6.001 40 0 DKABRN Fc1ccccc1/C=C/c1ccc(/C=C\c2ccccc2F)nn1 ZINC000017324633 182083698 /nfs/dbraw/zinc/08/36/98/182083698.db2.gz FTUZKCRQBSPNPS-DSOJMZEYSA-N 0 0 320.342 5.096 40 0 DKABRN Fc1ccc(/C=C/c2ccc(/C=C\c3ccc(F)cc3)nn2)cc1 ZINC000017324637 182083420 /nfs/dbraw/zinc/08/34/20/182083420.db2.gz GRCLSBNWVDESSS-JTAXDKCCSA-N 0 0 320.342 5.096 40 0 DKABRN CC1=C(C)C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000017324732 182083599 /nfs/dbraw/zinc/08/35/99/182083599.db2.gz AQRCGRWLZDMDSZ-BGYRXZFFSA-N 0 0 318.416 5.115 40 0 DKABRN Nc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000017354125 563413870 /nfs/dbraw/zinc/41/38/70/563413870.db2.gz HXGWTRUDIKHZSZ-MOSHPQCFSA-N 0 0 320.395 5.386 40 0 DKABRN OC1(c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000017355037 563415027 /nfs/dbraw/zinc/41/50/27/563415027.db2.gz JURZIEQMPUPRTR-YMNIQUSHSA-N 0 0 304.861 5.154 40 0 DKABRN OC1(c2cccc(Cl)c2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000017355045 563414511 /nfs/dbraw/zinc/41/45/11/563414511.db2.gz FQDVKBMDOKJCGL-YMNIQUSHSA-N 0 0 304.861 5.154 40 0 DKABRN C(=C\c1nc2ccccc2nc1-c1ccccc1)\c1ccccc1 ZINC000017355077 563414726 /nfs/dbraw/zinc/41/47/26/563414726.db2.gz CUNYQVMTTZFIMD-NXVVXOECSA-N 0 0 308.384 5.467 40 0 DKABRN CC1(C)S[C@H](c2ccccc2)S[C@H](c2ccccc2)S1 ZINC000017417876 190643744 /nfs/dbraw/zinc/64/37/44/190643744.db2.gz QRLLCXRATXJUBS-IYBDPMFKSA-N 0 0 318.532 6.333 40 0 DKABRN ClC1=C(Cl)C(Cl)=C(Cl)C1=C/C=C/c1ccccc1 ZINC000017465832 563414516 /nfs/dbraw/zinc/41/45/16/563414516.db2.gz RKERNVBCOIOPFR-QPJJXVBHSA-N 0 0 318.030 6.018 40 0 DKABRN C1CC[C@@H]2SCCCSCCSCCCS[C@@H]2C1 ZINC000018057748 182091036 /nfs/dbraw/zinc/09/10/36/182091036.db2.gz FXFGLYRNCVPDND-OKILXGFUSA-N 0 0 322.630 5.024 40 0 DKABRN O=C1C[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2Cl)C1 ZINC000018269963 182101626 /nfs/dbraw/zinc/10/16/26/182101626.db2.gz LHCVHSHSTUVDDX-GASCZTMLSA-N 0 0 305.204 5.224 40 0 DKABRN O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000019075088 182103996 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/nfs/dbraw/zinc/10/40/23/182104023.db2.gz VUNLWUXNNROJPX-UHFFFAOYSA-N 0 0 306.446 5.417 40 0 DKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000019162748 182105991 /nfs/dbraw/zinc/10/59/91/182105991.db2.gz AXNZKQDVUAABGB-OAHLLOKOSA-N 0 0 313.466 5.238 40 0 DKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000019162750 182105695 /nfs/dbraw/zinc/10/56/95/182105695.db2.gz AXNZKQDVUAABGB-HNNXBMFYSA-N 0 0 313.466 5.238 40 0 DKABRN O=C(CCc1ccccc1F)Nc1ccccc1-c1ccccc1 ZINC000019164541 182106705 /nfs/dbraw/zinc/10/67/05/182106705.db2.gz DGDKVSAJVSZFSK-UHFFFAOYSA-N 0 0 319.379 5.064 40 0 DKABRN CC(C)(C)C1CCC2(CC1)CCN(N1CCCCCC1)CC2 ZINC000019167348 182106836 /nfs/dbraw/zinc/10/68/36/182106836.db2.gz ZSFGLCLBLSTUMN-UHFFFAOYSA-N 0 0 306.538 5.096 40 0 DKABRN CC(C)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000019198629 182107519 /nfs/dbraw/zinc/10/75/19/182107519.db2.gz AGFWCSGXHRLGSJ-UHFFFAOYSA-N 0 0 313.784 5.462 40 0 DKABRN CSc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000019199580 563676821 /nfs/dbraw/zinc/67/68/21/563676821.db2.gz XVGYYIKPXQXUBR-UHFFFAOYSA-N 0 0 317.797 5.060 40 0 DKABRN CC(C)c1ccccc1NCc1ccc(Br)cc1 ZINC000019231057 182109520 /nfs/dbraw/zinc/10/95/20/182109520.db2.gz KIKCHBMXBVUBIB-UHFFFAOYSA-N 0 0 304.231 5.185 40 0 DKABRN CC1CCC2(CC1)N=C1CC[C@H](C)C[C@H]1C1(CCC(C)CC1)N2 ZINC000019319285 182115156 /nfs/dbraw/zinc/11/51/56/182115156.db2.gz SNCVDKMWIGLGTO-GVJVWXKDSA-N 0 0 316.533 5.322 40 0 DKABRN CC1CCC2(CC1)N=C1CC[C@@H](C)C[C@H]1C1(CCC(C)CC1)N2 ZINC000019319287 182115225 /nfs/dbraw/zinc/11/52/25/182115225.db2.gz SNCVDKMWIGLGTO-QFPWDHHXSA-N 0 0 316.533 5.322 40 0 DKABRN CC1CCC2(CC1)N=C1CC[C@H](C)C[C@@H]1C1(CCC(C)CC1)N2 ZINC000019319290 182114986 /nfs/dbraw/zinc/11/49/86/182114986.db2.gz SNCVDKMWIGLGTO-CAORYKIWSA-N 0 0 316.533 5.322 40 0 DKABRN CC1CCC2(CC1)N=C1CC[C@@H](C)C[C@@H]1C1(CCC(C)CC1)N2 ZINC000019319292 182114847 /nfs/dbraw/zinc/11/48/47/182114847.db2.gz SNCVDKMWIGLGTO-IXXNZFFSSA-N 0 0 316.533 5.322 40 0 DKABRN CCCCN(CCCC)C(F)(F)N(CCCC)CCCC ZINC000019333415 182117169 /nfs/dbraw/zinc/11/71/69/182117169.db2.gz QSGNJWCYVPXGKY-UHFFFAOYSA-N 0 0 306.485 5.341 40 0 DKABRN COc1cccc2cc(C(=O)Nc3c(C)cccc3C(C)C)oc21 ZINC000019887885 182160872 /nfs/dbraw/zinc/16/08/72/182160872.db2.gz AEADFTWLPLEJHA-UHFFFAOYSA-N 0 0 323.392 5.126 40 0 DKABRN CCCCc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 ZINC000019887888 563922794 /nfs/dbraw/zinc/92/27/94/563922794.db2.gz QVUHWIIRWDOXCN-UHFFFAOYSA-N 0 0 323.392 5.036 40 0 DKABRN O=C(CSc1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000019929526 182166084 /nfs/dbraw/zinc/16/60/84/182166084.db2.gz MLUOYQPPCJQARQ-UHFFFAOYSA-N 0 0 319.429 5.144 40 0 DKABRN CC(C)(C)c1ccc(-c2nnc(CSc3ccccc3)o2)cc1 ZINC000019929534 182165573 /nfs/dbraw/zinc/16/55/73/182165573.db2.gz MDBOUUGTMDCYQQ-UHFFFAOYSA-N 0 0 324.449 5.326 40 0 DKABRN Clc1ccc(CNc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000020001782 563678270 /nfs/dbraw/zinc/67/82/70/563678270.db2.gz HJWYDVJKSDHDSL-UHFFFAOYSA-N 0 0 321.034 5.912 40 0 DKABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000020047638 182183628 /nfs/dbraw/zinc/18/36/28/182183628.db2.gz MKYUMYOUASVCBY-IUYQLWOBSA-N 0 0 321.464 5.183 40 0 DKABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000020047641 563416358 /nfs/dbraw/zinc/41/63/58/563416358.db2.gz MKYUMYOUASVCBY-OBHPCNEJSA-N 0 0 321.464 5.183 40 0 DKABRN CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000020048489 182183899 /nfs/dbraw/zinc/18/38/99/182183899.db2.gz XJOFGWJRVQSFEJ-LJQANCHMSA-N 0 0 309.453 5.174 40 0 DKABRN CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000020048491 182183584 /nfs/dbraw/zinc/18/35/84/182183584.db2.gz XJOFGWJRVQSFEJ-IBGZPJMESA-N 0 0 309.453 5.174 40 0 DKABRN CN(C(=O)N1c2ccccc2Sc2ccccc21)C1CCCC1 ZINC000020105370 563416292 /nfs/dbraw/zinc/41/62/92/563416292.db2.gz ZMWFTDWDBHAOPZ-UHFFFAOYSA-N 0 0 324.449 5.284 40 0 DKABRN Clc1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000020156730 182193287 /nfs/dbraw/zinc/19/32/87/182193287.db2.gz NBSXVFLXBQNATD-UHFFFAOYSA-N 0 0 304.780 5.550 40 0 DKABRN Cc1ccccc1-c1nc2cc(C)c(C)c(Br)c2o1 ZINC000020156747 182193392 /nfs/dbraw/zinc/19/33/92/182193392.db2.gz GTXAICZKZZIIJP-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN Cc1cccc(-c2nc3cc(C)c(C)c(Br)c3o2)c1 ZINC000020156753 182193323 /nfs/dbraw/zinc/19/33/23/182193323.db2.gz IPNXRJFJAPGUCD-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1 ZINC000020156757 182192972 /nfs/dbraw/zinc/19/29/72/182192972.db2.gz ZICYUAVLRDNUKX-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN Cc1cc2nc(-c3ccccc3F)oc2c(Br)c1C ZINC000020156771 182193386 /nfs/dbraw/zinc/19/33/86/182193386.db2.gz BLDIVGKPAMVYAJ-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN Cc1cc2nc(-c3cccc(F)c3)oc2c(Br)c1C ZINC000020156787 182193272 /nfs/dbraw/zinc/19/32/72/182193272.db2.gz MYFXUIPZZKEHIR-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN Cc1cc2nc(-c3ccc(F)cc3)oc2c(Br)c1C ZINC000020156799 182192984 /nfs/dbraw/zinc/19/29/84/182192984.db2.gz SEJNPSXREXSELO-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN Clc1cccc(-c2ccc(CNCc3ccco3)o2)c1Cl ZINC000020158508 182194019 /nfs/dbraw/zinc/19/40/19/182194019.db2.gz DJDJSFUUKHCQHE-UHFFFAOYSA-N 0 0 322.191 5.136 40 0 DKABRN Clc1ccc(-c2ccc(CNCc3ccco3)o2)cc1Cl ZINC000020158541 182193993 /nfs/dbraw/zinc/19/39/93/182193993.db2.gz KAEMFUSJWNVZHT-UHFFFAOYSA-N 0 0 322.191 5.136 40 0 DKABRN Fc1ccc(NCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020310591 182205730 /nfs/dbraw/zinc/20/57/30/182205730.db2.gz NHOPVMDNEPBHRC-UHFFFAOYSA-N 0 0 304.579 5.398 40 0 DKABRN Fc1ccc(NCc2c(Cl)cccc2Cl)cc1Cl ZINC000020310594 182205667 /nfs/dbraw/zinc/20/56/67/182205667.db2.gz UFZLRFCJMFYHDJ-UHFFFAOYSA-N 0 0 304.579 5.398 40 0 DKABRN Cc1nn(-c2cccc(Cl)c2)c2nccc(-c3ccccc3)c12 ZINC000020343631 182209785 /nfs/dbraw/zinc/20/97/85/182209785.db2.gz OCRRQMREDKJMGF-UHFFFAOYSA-N 0 0 319.795 5.049 40 0 DKABRN CC(C)C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020411235 182215303 /nfs/dbraw/zinc/21/53/03/182215303.db2.gz JYTRSFSRRKAMOU-UHFFFAOYSA-N 0 0 322.408 5.213 40 0 DKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000020451500 182218677 /nfs/dbraw/zinc/21/86/77/182218677.db2.gz FKNZFSBPLMCMJE-MRXNPFEDSA-N 0 0 309.453 5.092 40 0 DKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000020451502 182218615 /nfs/dbraw/zinc/21/86/15/182218615.db2.gz FKNZFSBPLMCMJE-INIZCTEOSA-N 0 0 309.453 5.092 40 0 DKABRN CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020453708 182219407 /nfs/dbraw/zinc/21/94/07/182219407.db2.gz MLXLZHWVHSVLQN-HXUWFJFHSA-N 0 0 323.480 5.501 40 0 DKABRN CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020453710 182219539 /nfs/dbraw/zinc/21/95/39/182219539.db2.gz MLXLZHWVHSVLQN-FQEVSTJZSA-N 0 0 323.480 5.501 40 0 DKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1 ZINC000020455184 182219154 /nfs/dbraw/zinc/21/91/54/182219154.db2.gz CVPZSWFKDBBGHP-MRXNPFEDSA-N 0 0 319.857 5.158 40 0 DKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1 ZINC000020455186 182219523 /nfs/dbraw/zinc/21/95/23/182219523.db2.gz CVPZSWFKDBBGHP-INIZCTEOSA-N 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CRYPQNLZJFIESQ-UHFFFAOYSA-N 0 0 314.340 5.456 40 0 DKABRN CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000020536311 182228154 /nfs/dbraw/zinc/22/81/54/182228154.db2.gz BZZCRYZAAFIZBU-QGZVFWFLSA-N 0 0 316.832 5.230 40 0 DKABRN CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000020536313 182228209 /nfs/dbraw/zinc/22/82/09/182228209.db2.gz BZZCRYZAAFIZBU-KRWDZBQOSA-N 0 0 316.832 5.230 40 0 DKABRN CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1C ZINC000020536314 182228074 /nfs/dbraw/zinc/22/80/74/182228074.db2.gz LFVROOAAJAGTIK-QGZVFWFLSA-N 0 0 316.832 5.230 40 0 DKABRN CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1C ZINC000020536316 182227622 /nfs/dbraw/zinc/22/76/22/182227622.db2.gz LFVROOAAJAGTIK-KRWDZBQOSA-N 0 0 316.832 5.230 40 0 DKABRN CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000020536555 182227722 /nfs/dbraw/zinc/22/77/22/182227722.db2.gz BOYGYIDXRLEWDU-QGZVFWFLSA-N 0 0 316.832 5.230 40 0 DKABRN CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000020536557 182228233 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ZINC000044885518 563462969 /nfs/dbraw/zinc/46/29/69/563462969.db2.gz LSLDXQKEDZRXIJ-MQMQVCBVSA-N 0 0 321.464 5.265 40 0 DKABRN Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000044904590 563463623 /nfs/dbraw/zinc/46/36/23/563463623.db2.gz ZYPYLPMHPGIYLY-KRWDZBQOSA-N 0 0 323.480 5.021 40 0 DKABRN Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000044904592 563463781 /nfs/dbraw/zinc/46/37/81/563463781.db2.gz ZYPYLPMHPGIYLY-QGZVFWFLSA-N 0 0 323.480 5.021 40 0 DKABRN CC1(C)[C@@]2(c3ccccc3)N=N[C@]1(c1ccccc1)[C@@H]1CC[C@@H]12 ZINC000045027786 563571680 /nfs/dbraw/zinc/57/16/80/563571680.db2.gz KTKUFFZEUQWLQL-GHSBBIOCSA-N 0 0 302.421 5.309 40 0 DKABRN CC1(C)[C@@]2(c3ccccc3)N=N[C@]1(c1ccccc1)[C@H]1CC[C@@H]12 ZINC000045027787 332294803 /nfs/dbraw/zinc/29/48/03/332294803.db2.gz KTKUFFZEUQWLQL-JYAXBFRTSA-N 0 0 302.421 5.309 40 0 DKABRN CC1(C)[C@@]2(c3ccccc3)N=N[C@]1(c1ccccc1)[C@@H]1C=C[C@@H]12 ZINC000045027790 183476773 /nfs/dbraw/zinc/47/67/73/183476773.db2.gz HDVHLCRJHRNYIT-GHSBBIOCSA-N 0 0 300.405 5.085 40 0 DKABRN CC1(C)[C@@]2(c3ccccc3)N=N[C@]1(c1ccccc1)[C@H]1C=C[C@@H]12 ZINC000045027791 332294708 /nfs/dbraw/zinc/29/47/08/332294708.db2.gz HDVHLCRJHRNYIT-JYAXBFRTSA-N 0 0 300.405 5.085 40 0 DKABRN CCCCCc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000045028953 563914040 /nfs/dbraw/zinc/91/40/40/563914040.db2.gz DYENLZGDROIJMA-UHFFFAOYSA-N 0 0 303.405 5.199 40 0 DKABRN CCCCCCc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000045028954 563913975 /nfs/dbraw/zinc/91/39/75/563913975.db2.gz MNCKOZLZUSWBKW-UHFFFAOYSA-N 0 0 317.432 5.589 40 0 DKABRN CCCCCOc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000045028958 563914035 /nfs/dbraw/zinc/91/40/35/563914035.db2.gz VGTBZJHBGQYLHK-UHFFFAOYSA-N 0 0 319.404 5.035 40 0 DKABRN C[C@@]12N=N[C@@](c3ccccc3)([C@H]3C=C[C@H]31)[C@@]2(C)Cc1ccccc1 ZINC000045070517 332294703 /nfs/dbraw/zinc/29/47/03/332294703.db2.gz UCDRWGDSOBDMDD-CTWRKMMKSA-N 0 0 314.432 5.171 40 0 DKABRN C[C@@]1(Cc2ccccc2)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@H]1C=C[C@H]12 ZINC000045070520 332294782 /nfs/dbraw/zinc/29/47/82/332294782.db2.gz UCDRWGDSOBDMDD-YHINDDMVSA-N 0 0 314.432 5.171 40 0 DKABRN C[C@@]12N=N[C@@](c3ccccc3)([C@H]3CC[C@H]31)[C@@]2(C)Cc1ccccc1 ZINC000045070529 332294697 /nfs/dbraw/zinc/29/46/97/332294697.db2.gz PADNZVDIAXXCGO-CTWRKMMKSA-N 0 0 316.448 5.395 40 0 DKABRN C[C@@]1(Cc2ccccc2)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@H]1CC[C@H]12 ZINC000045070531 332294702 /nfs/dbraw/zinc/29/47/02/332294702.db2.gz PADNZVDIAXXCGO-YHINDDMVSA-N 0 0 316.448 5.395 40 0 DKABRN c1ccc(-c2oc(-c3ccccc3)c3cc4ccccc4cc32)cc1 ZINC000045071035 183479659 /nfs/dbraw/zinc/47/96/59/183479659.db2.gz ABHLELFSMPEUTO-UHFFFAOYSA-N 0 0 320.391 6.920 40 0 DKABRN Nc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)oc2c1 ZINC000045919875 563889060 /nfs/dbraw/zinc/88/90/60/563889060.db2.gz CDCZWRLAXZCTAA-UHFFFAOYSA-N 0 0 313.571 5.037 40 0 DKABRN Nc1ccc2nc(-c3cc(Cl)cc(Cl)c3Cl)oc2c1 ZINC000045919881 563888923 /nfs/dbraw/zinc/88/89/23/563888923.db2.gz ISKOIPKRWXNHFW-UHFFFAOYSA-N 0 0 313.571 5.037 40 0 DKABRN Cc1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 ZINC000045919897 183536631 /nfs/dbraw/zinc/53/66/31/183536631.db2.gz SYWXZRFMESAUNR-UHFFFAOYSA-N 0 0 312.583 5.763 40 0 DKABRN Cc1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 ZINC000045919899 183536775 /nfs/dbraw/zinc/53/67/75/183536775.db2.gz NRHBXPVCFQZYCH-UHFFFAOYSA-N 0 0 312.583 5.763 40 0 DKABRN Clc1cc(-c2nc3ccccc3s2)cc(Cl)c1Cl ZINC000045919945 563889040 /nfs/dbraw/zinc/88/90/40/563889040.db2.gz HVNVHIDGWFTHFP-UHFFFAOYSA-N 0 0 314.624 5.924 40 0 DKABRN Clc1cc(Cl)c(Cl)c(-c2nc3ccccc3s2)c1 ZINC000045919947 563889055 /nfs/dbraw/zinc/88/90/55/563889055.db2.gz FLFAUEHKVIRNOK-UHFFFAOYSA-N 0 0 314.624 5.924 40 0 DKABRN Fc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000045919989 563888785 /nfs/dbraw/zinc/88/87/85/563888785.db2.gz GSUHFLYIFCVKOV-UHFFFAOYSA-N 0 0 305.377 5.769 40 0 DKABRN Fc1ccc2nc(-c3cccc4c(Cl)cccc34)sc2c1 ZINC000045919993 183537142 /nfs/dbraw/zinc/53/71/42/183537142.db2.gz LRWAORDIEFYCTK-UHFFFAOYSA-N 0 0 313.784 5.909 40 0 DKABRN Fc1ccc2nc(C(c3ccccc3)c3ccccc3)sc2c1 ZINC000045920120 183536600 /nfs/dbraw/zinc/53/66/00/183536600.db2.gz YQMXKHPCHXSKEM-UHFFFAOYSA-N 0 0 319.404 5.616 40 0 DKABRN Clc1cccc2sc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000045920855 563889011 /nfs/dbraw/zinc/88/90/11/563889011.db2.gz UVJJPUYJRAKJMC-UHFFFAOYSA-N 0 0 321.832 6.284 40 0 DKABRN CC(C)(C)c1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920864 563888974 /nfs/dbraw/zinc/88/89/74/563888974.db2.gz KTQDKYXULRYCAJ-UHFFFAOYSA-N 0 0 301.842 5.914 40 0 DKABRN COc1ccc(-c2nc3c(cccc3Cl)s2)cc1Cl ZINC000045920884 183537035 /nfs/dbraw/zinc/53/70/35/183537035.db2.gz KYSOQGRLCSDWEE-UHFFFAOYSA-N 0 0 310.205 5.279 40 0 DKABRN Clc1cccc2sc(-c3ccccc3Br)nc21 ZINC000045920916 563889024 /nfs/dbraw/zinc/88/90/24/563889024.db2.gz OMBSVSAYRIKRGQ-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1cccc2sc(-c3cccc(Br)c3)nc21 ZINC000045920919 563889103 /nfs/dbraw/zinc/88/91/03/563889103.db2.gz KDGNJFALZGEMGW-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1cccc2sc(-c3ccc(Br)cc3)nc21 ZINC000045920937 563889081 /nfs/dbraw/zinc/88/90/81/563889081.db2.gz SOJHZKXSPFMKGM-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1cccc2sc(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000045920942 563888768 /nfs/dbraw/zinc/88/87/68/563888768.db2.gz LRPSGAJRWGPCCA-UHFFFAOYSA-N 0 0 314.624 5.924 40 0 DKABRN Clc1ccc(Cl)c(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920945 563888761 /nfs/dbraw/zinc/88/87/61/563888761.db2.gz HXIQYPCTNWCXSJ-UHFFFAOYSA-N 0 0 314.624 5.924 40 0 DKABRN Clc1ccc(-c2nc3c(cccc3Cl)s2)c(Cl)c1 ZINC000045920948 563889035 /nfs/dbraw/zinc/88/90/35/563889035.db2.gz BKCNGWWUBZSGDQ-UHFFFAOYSA-N 0 0 314.624 5.924 40 0 DKABRN Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3N)sc2c1 ZINC000045923410 563888919 /nfs/dbraw/zinc/88/89/19/563888919.db2.gz LTDUEAOYJUAPGJ-UHFFFAOYSA-N 0 0 309.221 5.161 40 0 DKABRN Cc1ccc2nc(-c3cccc(Br)c3)sc2c1 ZINC000045923447 563889017 /nfs/dbraw/zinc/88/90/17/563889017.db2.gz GMHPGTDGNRKELO-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000045923466 563888928 /nfs/dbraw/zinc/88/89/28/563888928.db2.gz MQTOXMPVDWKAQQ-UHFFFAOYSA-N 0 0 301.414 5.939 40 0 DKABRN Cc1ccc2nc(-c3ccc(Br)cc3)sc2c1 ZINC000045923472 563889113 /nfs/dbraw/zinc/88/91/13/563889113.db2.gz RBCZTJJCNGLDQQ-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1ccc2nc(-c3cccc4c(Cl)cccc34)sc2c1 ZINC000045923513 563889063 /nfs/dbraw/zinc/88/90/63/563889063.db2.gz XCMUWQGRYYYWBR-UHFFFAOYSA-N 0 0 309.821 6.078 40 0 DKABRN Cc1cccc2sc(-c3cc(N)c(Cl)cc3Cl)nc21 ZINC000045946666 563888301 /nfs/dbraw/zinc/88/83/01/563888301.db2.gz PEMNYDQVKOPTAF-UHFFFAOYSA-N 0 0 309.221 5.161 40 0 DKABRN Cc1cccc2sc(-c3cc(Cl)c(N)c(Cl)c3)nc21 ZINC000045946674 563888506 /nfs/dbraw/zinc/88/85/06/563888506.db2.gz RMNVVKVTWFRYQA-UHFFFAOYSA-N 0 0 309.221 5.161 40 0 DKABRN Cc1cccc2sc(-c3ccc(Br)cc3)nc21 ZINC000045946732 563888907 /nfs/dbraw/zinc/88/89/07/563888907.db2.gz GPXAPMXILKRPOG-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1cccc2sc(-c3ccccc3Br)nc21 ZINC000045946743 563889074 /nfs/dbraw/zinc/88/90/74/563889074.db2.gz BJSJKYZJRIEUCE-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1cccc2sc(-c3cccc(Br)c3)nc21 ZINC000045946747 183538442 /nfs/dbraw/zinc/53/84/42/183538442.db2.gz CUXRXCZCNGILIX-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1cccc2sc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000045946758 563888870 /nfs/dbraw/zinc/88/88/70/563888870.db2.gz ICYPCSRHDPNIOK-UHFFFAOYSA-N 0 0 301.414 5.939 40 0 DKABRN Cc1cccc2sc(-c3cccc4c(Cl)cccc34)nc21 ZINC000045946806 563889046 /nfs/dbraw/zinc/88/90/46/563889046.db2.gz YDGAREJOEOIZDX-UHFFFAOYSA-N 0 0 309.821 6.078 40 0 DKABRN c1ccc(CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000045954100 183540147 /nfs/dbraw/zinc/54/01/47/183540147.db2.gz RGKPFFGLKSCAQQ-UHFFFAOYSA-N 0 0 316.429 5.575 40 0 DKABRN Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl ZINC000045954152 563889013 /nfs/dbraw/zinc/88/90/13/563889013.db2.gz SFZIGFWYVBNAGC-UHFFFAOYSA-N 0 0 320.779 5.397 40 0 DKABRN Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000045954173 563888856 /nfs/dbraw/zinc/88/88/56/563888856.db2.gz RGZFUDWPRMXNKX-UHFFFAOYSA-N 0 0 313.571 5.037 40 0 DKABRN Cc1ccc(C)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000048544531 563467021 /nfs/dbraw/zinc/46/70/21/563467021.db2.gz LGDRNWWEUXIQKC-ACCUITESSA-N 0 0 317.388 5.215 40 0 DKABRN CCCCC/C=C\CCCC/C=C/C=C/C(=O)NCC(C)C ZINC000049181753 563701240 /nfs/dbraw/zinc/70/12/40/563701240.db2.gz QJFBVQUFPMOHQK-YXGHSTMBSA-N 0 0 305.506 5.568 40 0 biogenic,in-vitro DKABRN Fc1ccc([C@](Cl)(c2ccccc2)c2ccccc2F)cc1 ZINC000049588516 183744497 /nfs/dbraw/zinc/74/44/97/183744497.db2.gz QMDUCVYRINJLBT-LJQANCHMSA-N 0 0 314.762 5.496 40 0 DKABRN Fc1ccc([C@@](Cl)(c2ccccc2)c2ccccc2F)cc1 ZINC000049588518 563468054 /nfs/dbraw/zinc/46/80/54/563468054.db2.gz QMDUCVYRINJLBT-IBGZPJMESA-N 0 0 314.762 5.496 40 0 DKABRN Cc1ccc(C2(Cl)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000049967674 183765888 /nfs/dbraw/zinc/76/58/88/183765888.db2.gz CQSQEDRYPZSDJK-UHFFFAOYSA-N 0 0 316.831 6.054 40 0 DKABRN c1ccc2c(c1)-c1ccccc1C2C12CC3CC(CC(C3)C1)C2 ZINC000051139386 563468762 /nfs/dbraw/zinc/46/87/62/563468762.db2.gz SUZNKFLVECIVLI-UHFFFAOYSA-N 0 0 300.445 6.015 40 0 DKABRN O=C(Nc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000051325885 563606998 /nfs/dbraw/zinc/60/69/98/563606998.db2.gz YEUVLLLCNIZJSE-UHFFFAOYSA-N 0 0 314.694 5.003 40 0 DKABRN CCN(CC)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 ZINC000057270736 184031577 /nfs/dbraw/zinc/03/15/77/184031577.db2.gz DIJCWVDSBKURIZ-UHFFFAOYSA-N 0 0 305.425 5.133 40 0 DKABRN Cc1ccc(-c2nc3ccc(C)cc3c(Cc3ccccc3)n2)cc1 ZINC000057291931 184032676 /nfs/dbraw/zinc/03/26/76/184032676.db2.gz NENYXXOBHJSIPI-UHFFFAOYSA-N 0 0 324.427 5.504 40 0 DKABRN Clc1cc(-c2nc3ccccc3s2)ccc1Br ZINC000057351561 184034841 /nfs/dbraw/zinc/03/48/41/184034841.db2.gz QXVBHYDMUPYTTR-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Cc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 ZINC000057351576 184034969 /nfs/dbraw/zinc/03/49/69/184034969.db2.gz KVVXLEFUJFZTQZ-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2nc(-c3ccc(Br)c(Cl)c3)oc2c1 ZINC000057351599 184034981 /nfs/dbraw/zinc/03/49/81/184034981.db2.gz ZYOREKCTPHGANG-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Fc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000057351614 184034951 /nfs/dbraw/zinc/03/49/51/184034951.db2.gz KCEQDFCOLSDRHD-UHFFFAOYSA-N 0 0 316.546 5.594 40 0 DKABRN Fc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl ZINC000057351629 184034806 /nfs/dbraw/zinc/03/48/06/184034806.db2.gz RJLDTFZWLHFFCI-UHFFFAOYSA-N 0 0 323.754 5.954 40 0 DKABRN Fc1ccccc1-c1nc2cccc(Cc3ccccc3)c2o1 ZINC000057352420 184034973 /nfs/dbraw/zinc/03/49/73/184034973.db2.gz HMJNFJFHHIDOIF-UHFFFAOYSA-N 0 0 303.336 5.225 40 0 DKABRN Clc1ccccc1-c1nc2cccc(Cc3ccccc3)c2o1 ZINC000057352423 184034918 /nfs/dbraw/zinc/03/49/18/184034918.db2.gz RKRPYFKHYARCKY-UHFFFAOYSA-N 0 0 319.791 5.739 40 0 DKABRN Fc1cccc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 ZINC000057352426 184034910 /nfs/dbraw/zinc/03/49/10/184034910.db2.gz LWDQJIPZLYJHNE-UHFFFAOYSA-N 0 0 303.336 5.225 40 0 DKABRN Clc1cccc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 ZINC000057352428 184034710 /nfs/dbraw/zinc/03/47/10/184034710.db2.gz AUMCVMFXUMNNQE-UHFFFAOYSA-N 0 0 319.791 5.739 40 0 DKABRN Clc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352431 184034953 /nfs/dbraw/zinc/03/49/53/184034953.db2.gz KAYBKNPPXKUKRL-UHFFFAOYSA-N 0 0 319.791 5.739 40 0 DKABRN Fc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352433 184034955 /nfs/dbraw/zinc/03/49/55/184034955.db2.gz UBOBVOVIBZRNSR-UHFFFAOYSA-N 0 0 303.336 5.225 40 0 DKABRN COc1cccc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 ZINC000057352446 184034943 /nfs/dbraw/zinc/03/49/43/184034943.db2.gz YGQCNSJCGYWGSB-UHFFFAOYSA-N 0 0 315.372 5.094 40 0 DKABRN COc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352450 184034929 /nfs/dbraw/zinc/03/49/29/184034929.db2.gz RXDPNBINJOXDBN-UHFFFAOYSA-N 0 0 315.372 5.094 40 0 DKABRN CCc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352797 184034760 /nfs/dbraw/zinc/03/47/60/184034760.db2.gz LWCJTRJWSOLQRD-UHFFFAOYSA-N 0 0 313.400 5.648 40 0 DKABRN Cc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2cc1C ZINC000057797400 184053427 /nfs/dbraw/zinc/05/34/27/184053427.db2.gz YSVOMBQMXPNOIT-UHFFFAOYSA-N 0 0 312.416 5.360 40 0 DKABRN Clc1ccccc1COc1ccc(CNc2ccccc2)cc1 ZINC000058962329 563770994 /nfs/dbraw/zinc/77/09/94/563770994.db2.gz OKGBPZFZJKPYTN-UHFFFAOYSA-N 0 0 323.823 5.531 40 0 DKABRN CCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000059157112 184135436 /nfs/dbraw/zinc/13/54/36/184135436.db2.gz IZQPXKDLSVKAMJ-UHFFFAOYSA-N 0 0 318.382 6.455 40 0 DKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000059240011 184136021 /nfs/dbraw/zinc/13/60/21/184136021.db2.gz VZFMWNSRNWPPHE-UHFFFAOYSA-N 0 0 309.453 5.298 40 0 DKABRN Cc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000059241285 257217334 /nfs/dbraw/zinc/21/73/34/257217334.db2.gz CZIRLPHDJFKRDR-UHFFFAOYSA-N 0 0 319.429 5.399 40 0 DKABRN CCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000059294057 563771162 /nfs/dbraw/zinc/77/11/62/563771162.db2.gz LMHRMAXWZYELEH-FYWRMAATSA-N 0 0 317.388 5.161 40 0 DKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000059351084 184137355 /nfs/dbraw/zinc/13/73/55/184137355.db2.gz HTSMAOWCCVKYDA-GFCCVEGCSA-N 0 0 322.235 5.101 40 0 DKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000059351086 184137161 /nfs/dbraw/zinc/13/71/61/184137161.db2.gz HTSMAOWCCVKYDA-LBPRGKRZSA-N 0 0 322.235 5.101 40 0 DKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000059351138 184137473 /nfs/dbraw/zinc/13/74/73/184137473.db2.gz YGRAQUKESLLCBG-MRXNPFEDSA-N 0 0 309.453 5.092 40 0 DKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000059351139 184137407 /nfs/dbraw/zinc/13/74/07/184137407.db2.gz YGRAQUKESLLCBG-INIZCTEOSA-N 0 0 309.453 5.092 40 0 DKABRN Cc1[nH]c2ccccc2c1CSc1nc2ccccc2s1 ZINC000059417491 563771620 /nfs/dbraw/zinc/77/16/20/563771620.db2.gz QOKKIIGWQPSAFC-UHFFFAOYSA-N 0 0 310.447 5.378 40 0 DKABRN CC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCCC1 ZINC000059435479 563771762 /nfs/dbraw/zinc/77/17/62/563771762.db2.gz LLJGAFDDOZZDEN-UHFFFAOYSA-N 0 0 319.754 5.268 40 0 DKABRN Clc1ccc(COc2cccc(CNc3ccccc3)c2)cc1 ZINC000059472303 256539548 /nfs/dbraw/zinc/53/95/48/256539548.db2.gz DRSAKHMCGCUHOS-UHFFFAOYSA-N 0 0 323.823 5.531 40 0 DKABRN Clc1ccc(COc2ccccc2CNc2ccccc2)cc1 ZINC000059472322 256539487 /nfs/dbraw/zinc/53/94/87/256539487.db2.gz SNGAVEHDVJXWQY-UHFFFAOYSA-N 0 0 323.823 5.531 40 0 DKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000059477493 563771549 /nfs/dbraw/zinc/77/15/49/563771549.db2.gz LZMXSIBETDRLPF-ZRDIBKRKSA-N 0 0 323.779 5.252 40 0 DKABRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1C ZINC000059477497 563771706 /nfs/dbraw/zinc/77/17/06/563771706.db2.gz AHVSVIABLPXJOS-ACCUITESSA-N 0 0 317.388 5.215 40 0 DKABRN Cc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000059477500 256539539 /nfs/dbraw/zinc/53/95/39/256539539.db2.gz KPNMUBDBQORBPM-WYMLVPIESA-N 0 0 317.388 5.215 40 0 DKABRN CCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000059477522 563771824 /nfs/dbraw/zinc/77/18/24/563771824.db2.gz AVLDVBMPFRRYRR-FYWRMAATSA-N 0 0 317.388 5.161 40 0 DKABRN CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000059482549 563771591 /nfs/dbraw/zinc/77/15/91/563771591.db2.gz MZVCTTIRBCTDFN-UHFFFAOYSA-N 0 0 322.433 5.015 40 0 DKABRN CC(C)(C)c1ccc(NC(=O)Oc2cccc3cccnc32)cc1 ZINC000059484673 256539699 /nfs/dbraw/zinc/53/96/99/256539699.db2.gz PHIIBNRJOCQNTO-UHFFFAOYSA-N 0 0 320.392 5.143 40 0 DKABRN CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000059484716 563771559 /nfs/dbraw/zinc/77/15/59/563771559.db2.gz TVHZWMVYULLSLR-UHFFFAOYSA-N 0 0 304.478 5.320 40 0 DKABRN Clc1ccc(Cl)c(CSc2nc3ccccc3[nH]2)c1 ZINC000059497604 256539462 /nfs/dbraw/zinc/53/94/62/256539462.db2.gz MVHZLCSKKVJQQJ-UHFFFAOYSA-N 0 0 309.221 5.162 40 0 DKABRN O=C(CSc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000059520251 563772235 /nfs/dbraw/zinc/77/22/35/563772235.db2.gz SSWZCBZACABVFS-UHFFFAOYSA-N 0 0 316.425 5.233 40 0 DKABRN Cc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 ZINC000059720551 563772231 /nfs/dbraw/zinc/77/22/31/563772231.db2.gz KKJUXUNNPNLKHN-UHFFFAOYSA-N 0 0 310.622 5.023 40 0 DKABRN Cc1ccccc1CNc1ccc(Br)c(Cl)c1 ZINC000059720552 563772291 /nfs/dbraw/zinc/77/22/91/563772291.db2.gz PJVMSEHVHJDLSA-UHFFFAOYSA-N 0 0 310.622 5.023 40 0 DKABRN CCCCC/C=C\C/C=C\CCCCCCCCOC(C)=O ZINC000059725370 184140148 /nfs/dbraw/zinc/14/01/48/184140148.db2.gz KFXARGMQYWECBV-NQLNTKRDSA-N 0 0 308.506 6.363 40 0 DKABRN CCCC1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000059796829 184141166 /nfs/dbraw/zinc/14/11/66/184141166.db2.gz VULXHDGYVHCLLN-UHFFFAOYSA-N 0 0 314.419 6.706 40 0 DKABRN CCCCc1ccc(-c2ccc(Br)c(F)c2)cc1 ZINC000059803736 184140889 /nfs/dbraw/zinc/14/08/89/184140889.db2.gz RWZZCVUQOFIUKG-UHFFFAOYSA-N 0 0 307.206 5.598 40 0 DKABRN Cc1ccc(C(c2cc(C)ccc2C)c2cc(C)ccc2C)cc1 ZINC000059803948 184141159 /nfs/dbraw/zinc/14/11/59/184141159.db2.gz ATIKQHMTRBOEOX-UHFFFAOYSA-N 0 0 314.472 6.409 40 0 DKABRN CCCCCc1ccc(-c2ccc(Br)c(F)c2)cc1 ZINC000059804120 184141105 /nfs/dbraw/zinc/14/11/05/184141105.db2.gz RGYAEPDUJOIYDX-UHFFFAOYSA-N 0 0 321.233 5.988 40 0 DKABRN Cc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000060400821 184148311 /nfs/dbraw/zinc/14/83/11/184148311.db2.gz ZHADRHSPIHMBDH-UHFFFAOYSA-N 0 0 301.345 5.147 40 0 DKABRN COc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000062562282 184242175 /nfs/dbraw/zinc/24/21/75/184242175.db2.gz ZBIGZWSYBBPOLU-UHFFFAOYSA-N 0 0 301.345 5.170 40 0 DKABRN CCc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)sc2c1 ZINC000062719984 184250598 /nfs/dbraw/zinc/25/05/98/184250598.db2.gz UFQVXGPVSIYGLK-UHFFFAOYSA-N 0 0 323.248 5.415 40 0 DKABRN CCc1ccc2nc(-c3cc(Cl)cc(Cl)c3N)sc2c1 ZINC000062720013 184250649 /nfs/dbraw/zinc/25/06/49/184250649.db2.gz KIJFWJWLEKFANH-UHFFFAOYSA-N 0 0 323.248 5.415 40 0 DKABRN Cc1c2cc(Cl)c(Cl)cc2oc(=O)c1-c1ccccc1 ZINC000064219936 184293331 /nfs/dbraw/zinc/29/33/31/184293331.db2.gz BPTRXIYZNCXNHE-UHFFFAOYSA-N 0 0 305.160 5.075 40 0 DKABRN FC1(F)C(F)(F)[C@](F)(c2ccccc2)[C@]1(F)c1ccccc1 ZINC000064220281 184293131 /nfs/dbraw/zinc/29/31/31/184293131.db2.gz LQSQCBMUGJZDHV-OKILXGFUSA-N 0 0 316.244 5.001 40 0 DKABRN FC1(F)C(F)(F)[C@@](F)(c2ccccc2)[C@]1(F)c1ccccc1 ZINC000064220282 184293386 /nfs/dbraw/zinc/29/33/86/184293386.db2.gz LQSQCBMUGJZDHV-ZIAGYGMSSA-N 0 0 316.244 5.001 40 0 DKABRN O=C(OCC1c2ccccc2-c2ccccc21)Oc1ccccc1 ZINC000064220328 184293256 /nfs/dbraw/zinc/29/32/56/184293256.db2.gz QKHPCYUASZFPCI-UHFFFAOYSA-N 0 0 316.356 5.015 40 0 DKABRN CC(C)(C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000064553837 184299729 /nfs/dbraw/zinc/29/97/29/184299729.db2.gz ANJUEZKMJKNUNQ-UHFFFAOYSA-N 0 0 303.789 5.117 40 0 DKABRN CCCCC/C=C\C[C@@H](C)/C=C/C=C\C/C=C\CCCC(C)=O ZINC000064858214 184304864 /nfs/dbraw/zinc/30/48/64/184304864.db2.gz UJKAYDPQMOHHMX-NZSJDMCXSA-N 0 0 316.529 6.967 40 0 in-vitro DKABRN CCCCC/C=C\C[C@H](C)/C=C/C=C\C/C=C\CCCC(C)=O ZINC000064858219 184304983 /nfs/dbraw/zinc/30/49/83/184304983.db2.gz UJKAYDPQMOHHMX-DMIFGWGFSA-N 0 0 316.529 6.967 40 0 in-vitro DKABRN CCCC/C=C/C=C\C=C/CCCCCCCC(=O)OCC ZINC000064858971 184305021 /nfs/dbraw/zinc/30/50/21/184305021.db2.gz YVGCHYVFHLTZIM-JZEGGRRDSA-N 0 0 306.490 6.139 40 0 in-vitro DKABRN CCCCCn1cc(C(=O)c2ccccc2OC)c2ccccc21 ZINC000064859686 184304862 /nfs/dbraw/zinc/30/48/62/184304862.db2.gz NJRFLQZVMFTRAS-UHFFFAOYSA-N 0 0 321.420 5.071 40 0 in-vitro DKABRN CCCCCn1cc(C(=O)c2cccc(OC)c2)c2ccccc21 ZINC000064859691 184304680 /nfs/dbraw/zinc/30/46/80/184304680.db2.gz SWUSQHCKRVISGU-UHFFFAOYSA-N 0 0 321.420 5.071 40 0 in-vitro DKABRN CC(C)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000065734903 184378108 /nfs/dbraw/zinc/37/81/08/184378108.db2.gz XQJGIQBNDJMGCI-UHFFFAOYSA-N 0 0 318.416 5.297 40 0 in-vitro DKABRN FC(F)=C(c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000066055352 184386095 /nfs/dbraw/zinc/38/60/95/184386095.db2.gz YJTNZOKZBRREEL-UHFFFAOYSA-N 0 0 302.217 5.500 40 0 DKABRN CCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 ZINC000066154955 257217275 /nfs/dbraw/zinc/21/72/75/257217275.db2.gz SOWRVVRBJQWRAZ-UHFFFAOYSA-N 0 0 319.404 5.490 40 0 DKABRN CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000066154981 257217274 /nfs/dbraw/zinc/21/72/74/257217274.db2.gz HPLDEUVYMBATHG-UHFFFAOYSA-N 0 0 319.404 5.490 40 0 DKABRN CCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000066351966 184404674 /nfs/dbraw/zinc/40/46/74/184404674.db2.gz MAWKTEGHHGSVMO-UHFFFAOYSA-N 0 0 316.504 7.096 40 0 DKABRN CCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000066351983 568413295 /nfs/dbraw/zinc/41/32/95/568413295.db2.gz PDTDHEPDBAQERK-UHFFFAOYSA-N 0 0 316.504 7.096 40 0 DKABRN COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]32)C1 ZINC000067664875 563488947 /nfs/dbraw/zinc/48/89/47/563488947.db2.gz PTHQUKQHVUIFTB-RABCQHRBSA-N 0 0 318.501 5.184 40 0 in-vitro DKABRN Cc1ccc(C)c2c1C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000068568344 190775390 /nfs/dbraw/zinc/77/53/90/190775390.db2.gz DYFRRSQQUPBIIX-UHFFFAOYSA-N 0 0 310.440 5.639 40 0 DKABRN c1ccc(-c2ccc3c(c2)c2c(c4c3CCCC4)CCCC2)cc1 ZINC000068568930 563495101 /nfs/dbraw/zinc/49/51/01/563495101.db2.gz FDHZYFYTURWNRU-UHFFFAOYSA-N 0 0 312.456 6.264 40 0 DKABRN C/C(=C(\C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000068571788 563495079 /nfs/dbraw/zinc/49/50/79/563495079.db2.gz YWRZBSUAJUVXNP-ZCXUNETKSA-N 0 0 308.424 6.944 40 0 DKABRN Cc1c(Br)c(C)c(C(F)(F)F)cc1C(F)(F)F ZINC000068591199 563494673 /nfs/dbraw/zinc/49/46/73/563494673.db2.gz UXVNNQLGNQHSAV-UHFFFAOYSA-N 0 0 321.058 5.104 40 0 DKABRN Cc1cc(C(F)(F)F)c(C)c(Br)c1C(F)(F)F ZINC000068591203 563494505 /nfs/dbraw/zinc/49/45/05/563494505.db2.gz CEDPZUBWDRUKFB-UHFFFAOYSA-N 0 0 321.058 5.104 40 0 DKABRN CCCCc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1)C3 ZINC000068605587 563495482 /nfs/dbraw/zinc/49/54/82/563495482.db2.gz BXMHOYUSZNZBAN-UHFFFAOYSA-N 0 0 318.464 5.069 40 0 DKABRN c1ccc(Cc2ccc3cc(Cc4ccccc4)ccc3c2)cc1 ZINC000068606323 563495507 /nfs/dbraw/zinc/49/55/07/563495507.db2.gz VKSOPTFFAUKLIY-UHFFFAOYSA-N 0 0 308.424 6.021 40 0 DKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000069515786 563676125 /nfs/dbraw/zinc/67/61/25/563676125.db2.gz NFNLGMJVIPCUJX-ZDUSSCGKSA-N 0 0 319.857 5.076 40 0 DKABRN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000069515789 563675997 /nfs/dbraw/zinc/67/59/97/563675997.db2.gz NFNLGMJVIPCUJX-CYBMUJFWSA-N 0 0 319.857 5.076 40 0 DKABRN Clc1ccc(SCc2ccccc2Br)cc1 ZINC000070130588 563497249 /nfs/dbraw/zinc/49/72/49/563497249.db2.gz GZJCJYWEBHFPCF-UHFFFAOYSA-N 0 0 313.647 5.395 40 0 DKABRN Clc1ccc(SCc2cccc(Br)c2)cc1 ZINC000070130589 563497067 /nfs/dbraw/zinc/49/70/67/563497067.db2.gz MTDBNIFSPFLLFM-UHFFFAOYSA-N 0 0 313.647 5.395 40 0 DKABRN Fc1ccc(SCc2ccc(Br)cc2F)cc1 ZINC000070131464 190861315 /nfs/dbraw/zinc/86/13/15/190861315.db2.gz DXPGSYFINIOOPW-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1ccc(SCc2ccc(Br)cc2)cc1F ZINC000070137814 563497031 /nfs/dbraw/zinc/49/70/31/563497031.db2.gz HGMGFNJDURWZIZ-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1ccc(SCc2ccccc2Br)cc1F ZINC000070137818 563497225 /nfs/dbraw/zinc/49/72/25/563497225.db2.gz XEBTVJSLADVQEH-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1ccc(SCc2cccc(Br)c2)cc1F ZINC000070137819 563497124 /nfs/dbraw/zinc/49/71/24/563497124.db2.gz OZULVRCSPQNBDZ-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN CC(C)c1ccccc1OCc1ccc(Br)cc1 ZINC000070236341 563497634 /nfs/dbraw/zinc/49/76/34/563497634.db2.gz CIJGHRFENMRQCM-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN CC(C)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000070236383 563497858 /nfs/dbraw/zinc/49/78/58/563497858.db2.gz ODUNHGSMWYDHFH-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN CC(C)(C)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000070236607 563497729 /nfs/dbraw/zinc/49/77/29/563497729.db2.gz SZZCRQOTCNTTPM-UHFFFAOYSA-N 0 0 319.242 5.326 40 0 DKABRN CC(C)(C)c1ccc(OCc2ccccc2Br)cc1 ZINC000070238175 563497943 /nfs/dbraw/zinc/49/79/43/563497943.db2.gz ACRWUJZSPMRDSV-UHFFFAOYSA-N 0 0 319.242 5.326 40 0 DKABRN CC(C)c1ccccc1OCc1ccccc1Br ZINC000070238179 563497868 /nfs/dbraw/zinc/49/78/68/563497868.db2.gz AKZHWMPXTLEVRW-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN CC(C)(C)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000070238187 563497941 /nfs/dbraw/zinc/49/79/41/563497941.db2.gz RSWJDNRFYUDTCG-UHFFFAOYSA-N 0 0 319.242 5.326 40 0 DKABRN CC(C)c1ccccc1OCc1cccc(Br)c1 ZINC000070238191 563497592 /nfs/dbraw/zinc/49/75/92/563497592.db2.gz UVARMMUXURTZCK-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN CC(C)c1ccc(OCc2ccccc2Br)cc1 ZINC000070238295 190875181 /nfs/dbraw/zinc/87/51/81/190875181.db2.gz RFSJVKNHVHQKJL-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN CC(C)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000070238296 563497810 /nfs/dbraw/zinc/49/78/10/563497810.db2.gz GCWWPTRGRSKDOO-UHFFFAOYSA-N 0 0 305.215 5.152 40 0 DKABRN Cc1cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c(N)c1 ZINC000070461424 563497932 /nfs/dbraw/zinc/49/79/32/563497932.db2.gz MHDDDFAJOILINC-UHFFFAOYSA-N 0 0 300.361 5.052 40 0 DKABRN Cc1cc2nc(-c3cccc4c(Cl)cccc34)oc2c(N)c1 ZINC000070461441 563497799 /nfs/dbraw/zinc/49/77/99/563497799.db2.gz OVYVUUJWEJNKRZ-UHFFFAOYSA-N 0 0 308.768 5.192 40 0 DKABRN Cc1cc(N)cc2nc(-c3ccc(-c4ccccc4)cc3)oc21 ZINC000070461452 563813085 /nfs/dbraw/zinc/81/30/85/563813085.db2.gz JYBXVUUKDRMHIE-UHFFFAOYSA-N 0 0 300.361 5.052 40 0 DKABRN Cc1cc(N)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000070461474 190899136 /nfs/dbraw/zinc/89/91/36/190899136.db2.gz LICSEXUGIVRFBC-UHFFFAOYSA-N 0 0 308.768 5.192 40 0 DKABRN Cc1cc2nc(-c3cccc4c(Cl)cccc34)[nH]c2cc1C ZINC000070461589 563812797 /nfs/dbraw/zinc/81/27/97/563812797.db2.gz IOLVWHHAJZGARS-UHFFFAOYSA-N 0 0 306.796 5.653 40 0 DKABRN Nc1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 ZINC000070462182 563813217 /nfs/dbraw/zinc/81/32/17/563813217.db2.gz SHNINPGNFPFOJQ-UHFFFAOYSA-N 0 0 313.571 5.037 40 0 DKABRN Cc1cc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c(C)c1 ZINC000070462756 563812778 /nfs/dbraw/zinc/81/27/78/563812778.db2.gz XXZPEUILCIMPDM-UHFFFAOYSA-N 0 0 306.796 5.653 40 0 DKABRN Clc1cccc(SCc2ccccc2Br)c1 ZINC000071109865 190935119 /nfs/dbraw/zinc/93/51/19/190935119.db2.gz AVQBJJLOAGVDNF-UHFFFAOYSA-N 0 0 313.647 5.395 40 0 DKABRN Clc1cccc(SCc2ccc(Br)cc2)c1 ZINC000071109868 563343184 /nfs/dbraw/zinc/34/31/84/563343184.db2.gz NZFYVGCWOPKGFI-UHFFFAOYSA-N 0 0 313.647 5.395 40 0 DKABRN Clc1cccc(SCc2cccc(Br)c2)c1 ZINC000071109873 190934494 /nfs/dbraw/zinc/93/44/94/190934494.db2.gz OATLKALDHITNER-UHFFFAOYSA-N 0 0 313.647 5.395 40 0 DKABRN CCOC(=O)c1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000071234026 563675934 /nfs/dbraw/zinc/67/59/34/563675934.db2.gz MFPKUZITLVHBPM-UHFFFAOYSA-N 0 0 322.429 5.309 40 0 DKABRN Brc1cscc1-c1cscc1Br ZINC000071256556 190948856 /nfs/dbraw/zinc/94/88/56/190948856.db2.gz QAVREGJMFYCNKD-UHFFFAOYSA-N 0 0 324.062 5.002 40 0 DKABRN CCCCC/C=C\C/C=C\CCCCCCCCC(=O)OC ZINC000071404814 331922243 /nfs/dbraw/zinc/92/22/43/331922243.db2.gz ONAXJAJXYOYNTA-NQLNTKRDSA-N 0 0 308.506 6.363 40 0 DKABRN Cc1ccc(NC(=O)CSCc2cccc3ccccc32)cc1 ZINC000071433351 257217303 /nfs/dbraw/zinc/21/73/03/257217303.db2.gz LGXUOTORQJGHIM-UHFFFAOYSA-N 0 0 321.445 5.020 40 0 DKABRN CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000071746291 191019921 /nfs/dbraw/zinc/01/99/21/191019921.db2.gz OZCYJKDWRUIFFE-UHFFFAOYSA-N 0 0 321.420 5.071 40 0 in-vitro DKABRN CCCCCn1cc(C(=O)Cc2cccc(C)c2)c2ccccc21 ZINC000071746300 191019674 /nfs/dbraw/zinc/01/96/74/191019674.db2.gz DQMIYWJJSIRLSK-UHFFFAOYSA-N 0 0 319.448 5.565 40 0 in-vitro DKABRN C1CCC2CCC(CCCCCC3CCC(CC1)CC3)CC2 ZINC000071782781 563848616 /nfs/dbraw/zinc/84/86/16/563848616.db2.gz KYCNWKDIKDURFE-UHFFFAOYSA-N 0 0 304.562 7.514 40 0 DKABRN Clc1cccc2c1[C@H]1c3ccccc3[C@@H]2c2c(Cl)cccc21 ZINC000071782920 563501188 /nfs/dbraw/zinc/50/11/88/563501188.db2.gz SMGNYOQMEWMUQN-ROUUACIJSA-N 0 0 323.222 5.981 40 0 DKABRN Clc1cccc2c1[C@@H]1c3ccccc3[C@H]2c2c(Cl)cccc21 ZINC000071782921 563501638 /nfs/dbraw/zinc/50/16/38/563501638.db2.gz SMGNYOQMEWMUQN-QZTJIDSGSA-N 0 0 323.222 5.981 40 0 DKABRN CC(C)=C1[C@H]2c3ccccc3[C@@H]1c1c2c(F)c(F)c(F)c1F ZINC000071785914 184841062 /nfs/dbraw/zinc/84/10/62/184841062.db2.gz WTFJMHRGKTWEBL-TXEJJXNPSA-N 0 0 304.286 5.170 40 0 DKABRN CC(C)=C1[C@H]2CC[C@@H]1c1c2c(Cl)c(Cl)c(Cl)c1Cl ZINC000071785922 563501200 /nfs/dbraw/zinc/50/12/00/563501200.db2.gz UCAFBLGDCFTWBS-KNVOCYPGSA-N 0 0 322.062 6.611 40 0 DKABRN CC(C)=C1[C@H]2C=C[C@@H]1c1c2c(Cl)c(Cl)c(Cl)c1Cl ZINC000071785923 184842035 /nfs/dbraw/zinc/84/20/35/184842035.db2.gz VAFCNCQDVJHKDI-KNVOCYPGSA-N 0 0 320.046 6.387 40 0 DKABRN CC(C)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1 ZINC000071978265 563502037 /nfs/dbraw/zinc/50/20/37/563502037.db2.gz DGWXSBHCQFUMHT-UHFFFAOYSA-N 0 0 323.827 5.170 40 0 DKABRN CCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21 ZINC000072194423 191073675 /nfs/dbraw/zinc/07/36/75/191073675.db2.gz FPESBQVTVSBBSE-OQKWZONESA-N 0 0 324.467 7.358 40 0 in-vitro DKABRN COc1nc2ccc(Cl)cc2cc1Cc1ccc(Cl)cc1 ZINC000072221352 191077136 /nfs/dbraw/zinc/07/71/36/191077136.db2.gz LSSPGRHFVVBPKQ-UHFFFAOYSA-N 0 0 318.203 5.141 40 0 DKABRN COc1nc2ccc(Cl)cc2cc1Cc1cccc(Cl)c1 ZINC000072221354 191077263 /nfs/dbraw/zinc/07/72/63/191077263.db2.gz OIHTYPXIVDYHNE-UHFFFAOYSA-N 0 0 318.203 5.141 40 0 DKABRN Cc1cc(SC(C)(C)C)cnc1SCc1ccccc1 ZINC000072222423 257123206 /nfs/dbraw/zinc/12/32/06/257123206.db2.gz WKGPDEHAZIMNJU-UHFFFAOYSA-N 0 0 303.496 5.573 40 0 DKABRN Cc1cc(C(=O)c2ccccc2)cnc1SC1CCCCC1 ZINC000072222791 257123358 /nfs/dbraw/zinc/12/33/58/257123358.db2.gz OFIFZXSZCACNLO-UHFFFAOYSA-N 0 0 311.450 5.046 40 0 DKABRN Cc1cc(SC(C)(C)C)cnc1N1CCCc2ccccc21 ZINC000072222886 257123762 /nfs/dbraw/zinc/12/37/62/257123762.db2.gz RDYZAFNHSQCMES-UHFFFAOYSA-N 0 0 312.482 5.365 40 0 DKABRN Cc1cc(SCc2ccccc2)ncc1SC(C)(C)C ZINC000072223462 257123653 /nfs/dbraw/zinc/12/36/53/257123653.db2.gz NFFWUDOZIQEYFS-UHFFFAOYSA-N 0 0 303.496 5.573 40 0 DKABRN Cc1cc(SC2CCCCC2)ncc1C(=O)c1ccccc1 ZINC000072223835 257123701 /nfs/dbraw/zinc/12/37/01/257123701.db2.gz AMMFDUVAUFJAID-UHFFFAOYSA-N 0 0 311.450 5.046 40 0 DKABRN Cc1cc(N2CCCc3ccccc32)ncc1SC(C)(C)C ZINC000072223930 257123082 /nfs/dbraw/zinc/12/30/82/257123082.db2.gz FICQIWYDDAMNAM-UHFFFAOYSA-N 0 0 312.482 5.365 40 0 DKABRN Cc1nc(SCc2ccccc2)ccc1SC(C)(C)C ZINC000072224504 257123122 /nfs/dbraw/zinc/12/31/22/257123122.db2.gz ZRAFWJMLOUNUQE-UHFFFAOYSA-N 0 0 303.496 5.573 40 0 DKABRN Cc1nc(SC2CCCCC2)ccc1C(=O)c1ccccc1 ZINC000072224877 257123408 /nfs/dbraw/zinc/12/34/08/257123408.db2.gz AWRWOROKGUKZJU-UHFFFAOYSA-N 0 0 311.450 5.046 40 0 DKABRN Cc1nc(N2CCCc3ccccc32)ccc1SC(C)(C)C ZINC000072224972 257123634 /nfs/dbraw/zinc/12/36/34/257123634.db2.gz DERQUTFOHKAASK-UHFFFAOYSA-N 0 0 312.482 5.365 40 0 DKABRN CC(C)(c1ccccc1)c1ccc(Oc2ccc(C=O)o2)cc1 ZINC000072228405 257122381 /nfs/dbraw/zinc/12/23/81/257122381.db2.gz XMSDRJYQQZHBTJ-UHFFFAOYSA-N 0 0 306.361 5.210 40 0 DKABRN Clc1cccc(Cl)c1N(c1ccccc1)c1ccccc1 ZINC000072232665 191079627 /nfs/dbraw/zinc/07/96/27/191079627.db2.gz VVFFXWUIRHKWPR-UHFFFAOYSA-N 0 0 314.215 6.463 40 0 DKABRN Cc1ccc2oc(/C=C/c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000072232697 191078891 /nfs/dbraw/zinc/07/88/91/191078891.db2.gz LMGKWSSOGCGRMB-GXDHUFHOSA-N 0 0 311.384 5.974 40 0 DKABRN CC(C)c1ccc(NC(=S)N(C)c2ccccc2Cl)cc1 ZINC000072332237 191125145 /nfs/dbraw/zinc/12/51/45/191125145.db2.gz JFTPRSCKPMLYLC-UHFFFAOYSA-N 0 0 318.873 5.297 40 0 DKABRN CC(C)c1ccc(-c2nnc(-c3ccc(C(C)C)cc3)o2)cc1 ZINC000073634392 191333386 /nfs/dbraw/zinc/33/33/86/191333386.db2.gz DKIOLXBADWJBIO-UHFFFAOYSA-N 0 0 306.409 5.650 40 0 DKABRN Cc1ccc(-c2nnc(-c3ccc(C)cc3Cl)o2)c(Cl)c1 ZINC000073634415 191332813 /nfs/dbraw/zinc/33/28/13/191332813.db2.gz SXOJBWGPRVLBAX-UHFFFAOYSA-N 0 0 319.191 5.327 40 0 DKABRN Cc1ccc(-c2nnc(-c3ccc(C)c(Cl)c3)o2)cc1Cl ZINC000073634417 191332164 /nfs/dbraw/zinc/33/21/64/191332164.db2.gz NKCGFFCEXVNWOG-UHFFFAOYSA-N 0 0 319.191 5.327 40 0 DKABRN CC(C)c1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1 ZINC000073634622 191334504 /nfs/dbraw/zinc/33/45/04/191334504.db2.gz ICIMHNBBZFWKOY-UHFFFAOYSA-N 0 0 305.208 5.660 40 0 DKABRN CC(C)(C)c1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1 ZINC000073634625 191334382 /nfs/dbraw/zinc/33/43/82/191334382.db2.gz ULKJYHSRQSEZRX-UHFFFAOYSA-N 0 0 319.235 5.834 40 0 DKABRN Clc1ccc(Cl)c2[nH]c(-c3cccc4ccccc43)nc21 ZINC000073634639 191334345 /nfs/dbraw/zinc/33/43/45/191334345.db2.gz JWQXJDMORGDMLQ-UHFFFAOYSA-N 0 0 313.187 5.690 40 0 DKABRN Clc1ccc(Cl)c2[nH]c(-c3ccc4ccccc4c3)nc21 ZINC000073634649 191334155 /nfs/dbraw/zinc/33/41/55/191334155.db2.gz SYYMAPGFAAFDFK-UHFFFAOYSA-N 0 0 313.187 5.690 40 0 DKABRN Cc1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1Cl ZINC000073634687 191334553 /nfs/dbraw/zinc/33/45/53/191334553.db2.gz FLMYGBRWERXCGE-UHFFFAOYSA-N 0 0 311.599 5.499 40 0 DKABRN Cc1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)c(Cl)c1 ZINC000073634689 191334463 /nfs/dbraw/zinc/33/44/63/191334463.db2.gz HMPHFTBMRCTGJZ-UHFFFAOYSA-N 0 0 311.599 5.499 40 0 DKABRN Cc1ccc2nc(C(c3ccccc3)c3ccccc3)sc2c1 ZINC000073635062 191334409 /nfs/dbraw/zinc/33/44/09/191334409.db2.gz ZICJQHQVNQWIMP-UHFFFAOYSA-N 0 0 315.441 5.785 40 0 DKABRN O=Cc1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000073635357 191334483 /nfs/dbraw/zinc/33/44/83/191334483.db2.gz KNWGGHHXRILPCF-UHFFFAOYSA-N 0 0 308.189 5.083 40 0 DKABRN O=Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000073635361 191334428 /nfs/dbraw/zinc/33/44/28/191334428.db2.gz HKJPXPQPCCMKDO-UHFFFAOYSA-N 0 0 308.189 5.083 40 0 DKABRN O=Cc1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000073635375 191334203 /nfs/dbraw/zinc/33/42/03/191334203.db2.gz ZEJQAQNQDWZYIM-UHFFFAOYSA-N 0 0 308.189 5.083 40 0 DKABRN Cc1cc2sc(-c3cc(Cl)c(N)c(Cl)c3)nc2c(C)c1 ZINC000073635436 191334006 /nfs/dbraw/zinc/33/40/06/191334006.db2.gz ZAFTVMPLZOJUSD-UHFFFAOYSA-N 0 0 323.248 5.469 40 0 DKABRN Cc1cc2sc(-c3cc(Cl)cc(Cl)c3N)nc2c(C)c1 ZINC000073635460 191333585 /nfs/dbraw/zinc/33/35/85/191333585.db2.gz BSOWNFKNOCVPAW-UHFFFAOYSA-N 0 0 323.248 5.469 40 0 DKABRN Cc1cc2sc(-c3cc(N)c(Cl)cc3Cl)nc2c(C)c1 ZINC000073635484 191334321 /nfs/dbraw/zinc/33/43/21/191334321.db2.gz KNNGLUQHQVSDFG-UHFFFAOYSA-N 0 0 323.248 5.469 40 0 DKABRN Cc1cc2sc(-c3cc(N)c(Cl)c(Cl)c3)nc2c(C)c1 ZINC000073635485 191333815 /nfs/dbraw/zinc/33/38/15/191333815.db2.gz UNQJTBWFXZCWSM-UHFFFAOYSA-N 0 0 323.248 5.469 40 0 DKABRN Cc1cc2sc(-c3ccc(-c4ccccc4)cc3)nc2c(C)c1 ZINC000073635512 191334478 /nfs/dbraw/zinc/33/44/78/191334478.db2.gz WUFVQFYLMMAIEK-UHFFFAOYSA-N 0 0 315.441 6.247 40 0 DKABRN Cc1cc2sc(-c3cccc4c(Cl)cccc34)nc2c(C)c1 ZINC000073635521 191334057 /nfs/dbraw/zinc/33/40/57/191334057.db2.gz JHTSXOLWNMFMIN-UHFFFAOYSA-N 0 0 323.848 6.387 40 0 DKABRN Cc1cc2sc(-c3ccccc3Br)nc2c(C)c1 ZINC000073635546 191334205 /nfs/dbraw/zinc/33/42/05/191334205.db2.gz KJHVETAJBFQITJ-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1cc2sc(-c3cccc(Br)c3)nc2c(C)c1 ZINC000073635564 191334080 /nfs/dbraw/zinc/33/40/80/191334080.db2.gz GLLZFUHUYNQAKM-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1cc2sc(-c3ccc(Br)cc3)nc2c(C)c1 ZINC000073635573 191333594 /nfs/dbraw/zinc/33/35/94/191333594.db2.gz URQCODUNZAEZNL-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1cc2sc(-c3cccc(Cl)c3Cl)nc2c(C)c1 ZINC000073635585 191333812 /nfs/dbraw/zinc/33/38/12/191333812.db2.gz SRIKZUCBCZTEGH-UHFFFAOYSA-N 0 0 308.233 5.887 40 0 DKABRN Cc1cc2sc(-c3ccc(Cl)cc3Cl)nc2c(C)c1 ZINC000073635589 191333569 /nfs/dbraw/zinc/33/35/69/191333569.db2.gz QPAJHFYBSLUCGZ-UHFFFAOYSA-N 0 0 308.233 5.887 40 0 DKABRN Cc1cc2sc(-c3cc(Cl)ccc3Cl)nc2c(C)c1 ZINC000073635591 191333617 /nfs/dbraw/zinc/33/36/17/191333617.db2.gz WJBPRFKYBXBGHQ-UHFFFAOYSA-N 0 0 308.233 5.887 40 0 DKABRN Cc1cc2sc(-c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000073635596 191333702 /nfs/dbraw/zinc/33/37/02/191333702.db2.gz ZIWNWLMOYDETBF-UHFFFAOYSA-N 0 0 308.233 5.887 40 0 DKABRN COc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1Cl ZINC000073635625 191334188 /nfs/dbraw/zinc/33/41/88/191334188.db2.gz SWQYINOKDHEASR-UHFFFAOYSA-N 0 0 303.814 5.242 40 0 DKABRN Cc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 ZINC000073638102 191333656 /nfs/dbraw/zinc/33/36/56/191333656.db2.gz JTYSKMQUEWNWJF-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1cccc2nc(-c3ccc(Br)cc3Cl)oc21 ZINC000073638111 191334584 /nfs/dbraw/zinc/33/45/84/191334584.db2.gz CIBAQSYYCLYCDU-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Clc1cc(Br)ccc1-c1nc2ccccc2s1 ZINC000073638125 191333970 /nfs/dbraw/zinc/33/39/70/191333970.db2.gz QJBBRMNCJFYVGU-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1ccc(-c2nc3ccccc3s2)c(Br)c1 ZINC000073638135 191334153 /nfs/dbraw/zinc/33/41/53/191334153.db2.gz QPLXLQSIPORKPZ-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Cc1cccc2nc(-c3ccc(Cl)cc3Br)oc21 ZINC000073638148 191334211 /nfs/dbraw/zinc/33/42/11/191334211.db2.gz POQUAHPYINQHBY-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 ZINC000073638150 191334213 /nfs/dbraw/zinc/33/42/13/191334213.db2.gz HKQHPIZRDHPAAR-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1 ZINC000073638193 191333908 /nfs/dbraw/zinc/33/39/08/191333908.db2.gz HTBWBURMQGOAPB-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2nc(-c3ccc(Cl)cc3Br)oc2c1 ZINC000073638195 191333846 /nfs/dbraw/zinc/33/38/46/191333846.db2.gz OEWUNKSYAXLGPT-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2nc(-c3ccc(Br)cc3F)oc2c1C ZINC000073638223 191333735 /nfs/dbraw/zinc/33/37/35/191333735.db2.gz IAFWJEHXHNYMCM-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN Cc1cc2nc(-c3ccc(Br)cc3F)oc2c(C)c1 ZINC000073638226 191333718 /nfs/dbraw/zinc/33/37/18/191333718.db2.gz BGBLMSPNBYHOCG-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN Cc1cc2nc(-c3ccc(Br)cc3F)oc2cc1C ZINC000073638229 191334467 /nfs/dbraw/zinc/33/44/67/191334467.db2.gz UJZIPFZVEVFGAQ-UHFFFAOYSA-N 0 0 320.161 5.013 40 0 DKABRN CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000073638527 191334218 /nfs/dbraw/zinc/33/42/18/191334218.db2.gz ZIMGNXXNBPUFKW-UHFFFAOYSA-N 0 0 301.842 5.914 40 0 DKABRN Cc1cc(C)cc(-c2nc3ccc(Br)cc3s2)c1 ZINC000073638536 191334216 /nfs/dbraw/zinc/33/42/16/191334216.db2.gz QXRLTKLGRRHFCI-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1ccc(C)c(-c2nc3ccc(Br)cc3s2)c1 ZINC000073638537 191334453 /nfs/dbraw/zinc/33/44/53/191334453.db2.gz PYFVEYYJYSOHNJ-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1ccc(-c2nc3ccc(Br)cc3s2)cc1C ZINC000073638538 191334380 /nfs/dbraw/zinc/33/43/80/191334380.db2.gz VBSMYDPESGKCGJ-UHFFFAOYSA-N 0 0 318.239 5.343 40 0 DKABRN Cc1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000073638539 191334353 /nfs/dbraw/zinc/33/43/53/191334353.db2.gz QGMKZRPAHMSCCI-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN CCc1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000073638542 191333712 /nfs/dbraw/zinc/33/37/12/191333712.db2.gz KEMCETGXLLAHHZ-UHFFFAOYSA-N 0 0 318.239 5.288 40 0 DKABRN Cc1ccccc1-c1nc2ccc(Br)cc2s1 ZINC000073638547 191333670 /nfs/dbraw/zinc/33/36/70/191333670.db2.gz YBDCOOLATJIVBO-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Cc1cccc(-c2nc3ccc(Br)cc3s2)c1 ZINC000073638548 191333882 /nfs/dbraw/zinc/33/38/82/191333882.db2.gz MVGBFHHUNVCLLO-UHFFFAOYSA-N 0 0 304.212 5.034 40 0 DKABRN Clc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000073638574 191334552 /nfs/dbraw/zinc/33/45/52/191334552.db2.gz GIOILYHEWFXPCR-UHFFFAOYSA-N 0 0 321.832 6.284 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2cc1Cl ZINC000073638578 191333605 /nfs/dbraw/zinc/33/36/05/191333605.db2.gz RHXSZDCNBMLUNU-UHFFFAOYSA-N 0 0 318.807 5.859 40 0 DKABRN CC(C)c1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000073638597 191334034 /nfs/dbraw/zinc/33/40/34/191334034.db2.gz YAJYAPMBQBIWJS-UHFFFAOYSA-N 0 0 313.400 6.285 40 0 DKABRN Clc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000073638700 191333597 /nfs/dbraw/zinc/33/35/97/191333597.db2.gz WWYTXWDARQVKPU-UHFFFAOYSA-N 0 0 312.583 5.379 40 0 DKABRN Clc1ccc(Cc2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000073638789 191333753 /nfs/dbraw/zinc/33/37/53/191333753.db2.gz LTXJQQOZYBNURF-UHFFFAOYSA-N 0 0 319.791 5.739 40 0 DKABRN Clc1ccccc1-c1nc2ccc(Br)cc2s1 ZINC000073638899 191333764 /nfs/dbraw/zinc/33/37/64/191333764.db2.gz FSPLQHCXJGZSHE-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1cccc(-c2nc3ccc(Br)cc3s2)c1 ZINC000073638905 191333706 /nfs/dbraw/zinc/33/37/06/191333706.db2.gz HKUIOHDORAANPZ-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1ccc2nc(-c3ccc(Br)cc3)sc2c1 ZINC000073638921 191334511 /nfs/dbraw/zinc/33/45/11/191334511.db2.gz NLYNSIRDWKIWIE-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1ccc2nc(-c3cccc(Br)c3)sc2c1 ZINC000073638928 191334207 /nfs/dbraw/zinc/33/42/07/191334207.db2.gz LDSDMBSZTKUVKK-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Clc1ccc2nc(-c3ccccc3Br)sc2c1 ZINC000073638942 191334587 /nfs/dbraw/zinc/33/45/87/191334587.db2.gz HOTHRQQLLSVMQN-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN CC(C)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000073639073 191334220 /nfs/dbraw/zinc/33/42/20/191334220.db2.gz SEKXRKMAXAYJOX-UHFFFAOYSA-N 0 0 316.198 5.381 40 0 DKABRN CC(C)c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000073639081 191333771 /nfs/dbraw/zinc/33/37/71/191333771.db2.gz CCIGLZUOYCDKNS-UHFFFAOYSA-N 0 0 316.198 5.381 40 0 DKABRN CC(C)c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000073639083 191333897 /nfs/dbraw/zinc/33/38/97/191333897.db2.gz AHZQMMIWMJUPPS-UHFFFAOYSA-N 0 0 316.198 5.381 40 0 DKABRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000073639096 191333979 /nfs/dbraw/zinc/33/39/79/191333979.db2.gz USBKRDNGWKCTQP-UHFFFAOYSA-N 0 0 312.583 5.763 40 0 DKABRN Brc1cccc2c(-c3nc4ccccc4o3)cccc12 ZINC000073639121 191333756 /nfs/dbraw/zinc/33/37/56/191333756.db2.gz AGDVJAZABYYTBM-UHFFFAOYSA-N 0 0 324.177 5.411 40 0 DKABRN CC(C)c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000073639131 191334460 /nfs/dbraw/zinc/33/44/60/191334460.db2.gz GVNQDORQFVANCM-UHFFFAOYSA-N 0 0 321.807 6.425 40 0 DKABRN CCc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000073639133 191334415 /nfs/dbraw/zinc/33/44/15/191334415.db2.gz NMQXTIPXTRPIER-UHFFFAOYSA-N 0 0 307.780 5.864 40 0 DKABRN Cc1cc2nc(-c3cccc4c(Cl)cccc34)oc2c(C)c1 ZINC000073639145 191333699 /nfs/dbraw/zinc/33/36/99/191333699.db2.gz YKZAEWOOJIKZPH-UHFFFAOYSA-N 0 0 307.780 5.918 40 0 DKABRN Cc1cc2nc(-c3cccc4c(Cl)cccc34)oc2cc1C ZINC000073639150 191334114 /nfs/dbraw/zinc/33/41/14/191334114.db2.gz KPLRASKYZMRMQE-UHFFFAOYSA-N 0 0 307.780 5.918 40 0 DKABRN c1ccc(-c2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000073639152 191335036 /nfs/dbraw/zinc/33/50/36/191335036.db2.gz FDKIAHGVEKCUJT-UHFFFAOYSA-N 0 0 321.379 6.315 40 0 DKABRN Clc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000073639165 191335191 /nfs/dbraw/zinc/33/51/91/191335191.db2.gz DMKVHOJOISRAKL-UHFFFAOYSA-N 0 0 314.171 5.955 40 0 DKABRN Clc1cc2nc(-c3cccc4ccccc43)oc2c(Cl)c1 ZINC000073639168 191335580 /nfs/dbraw/zinc/33/55/80/191335580.db2.gz TWKJDMJVVBXCPR-UHFFFAOYSA-N 0 0 314.171 5.955 40 0 DKABRN Brc1cccc2c(-c3nc4ccccc4[nH]3)cccc12 ZINC000073639191 191335564 /nfs/dbraw/zinc/33/55/64/191335564.db2.gz PLLSIECTNOKISC-UHFFFAOYSA-N 0 0 323.193 5.146 40 0 DKABRN Clc1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000073639194 191335512 /nfs/dbraw/zinc/33/55/12/191335512.db2.gz REHMDBSYOBJLST-UHFFFAOYSA-N 0 0 313.187 5.690 40 0 DKABRN c1ccc(-c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000073639217 191335617 /nfs/dbraw/zinc/33/56/17/191335617.db2.gz GCMPNPVWDPDBFA-UHFFFAOYSA-N 0 0 321.379 6.315 40 0 DKABRN Cc1ccc(C)c(-c2nc3cc(C)cc(Br)c3o2)c1 ZINC000073639636 191335521 /nfs/dbraw/zinc/33/55/21/191335521.db2.gz URBVZNNRDVZYGO-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN Cc1cc2nc(-c3ccc(C)c(C)c3)oc2c(Br)c1 ZINC000073639638 191334919 /nfs/dbraw/zinc/33/49/19/191334919.db2.gz KLYXFZCNFIIKLE-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN Cc1ccc(-c2nc3cc(C)cc(Br)c3o2)c(C)c1 ZINC000073639640 191335245 /nfs/dbraw/zinc/33/52/45/191335245.db2.gz IUPQQLSSKFYXJE-UHFFFAOYSA-N 0 0 316.198 5.183 40 0 DKABRN CC(C)(C)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000073639650 191335330 /nfs/dbraw/zinc/33/53/30/191335330.db2.gz BIHUIWQTRSYHMA-UHFFFAOYSA-N 0 0 320.219 6.099 40 0 DKABRN CC(C)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000073639652 191335812 /nfs/dbraw/zinc/33/58/12/191335812.db2.gz BIAFKGNKPJILDI-UHFFFAOYSA-N 0 0 306.192 5.925 40 0 DKABRN CC(C)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000073639668 191335523 /nfs/dbraw/zinc/33/55/23/191335523.db2.gz FDCMULXQYWHORS-UHFFFAOYSA-N 0 0 313.400 6.285 40 0 DKABRN CCc1cc2nc(-c3ccccc3C)oc2c(Br)c1 ZINC000073639707 191335486 /nfs/dbraw/zinc/33/54/86/191335486.db2.gz YIVVACZBKFRFHD-UHFFFAOYSA-N 0 0 316.198 5.128 40 0 DKABRN CCc1cc2nc(-c3cccc(C)c3)oc2c(Br)c1 ZINC000073639710 191334916 /nfs/dbraw/zinc/33/49/16/191334916.db2.gz UHBGNHZWCHPDRH-UHFFFAOYSA-N 0 0 316.198 5.128 40 0 DKABRN CCc1cc2nc(-c3ccc(C)cc3)oc2c(Br)c1 ZINC000073639712 191334680 /nfs/dbraw/zinc/33/46/80/191334680.db2.gz RORMFVDVYJKRBG-UHFFFAOYSA-N 0 0 316.198 5.128 40 0 DKABRN CC(C)c1cc2nc(-c3ccccc3)oc2c(Br)c1 ZINC000073639726 191334752 /nfs/dbraw/zinc/33/47/52/191334752.db2.gz RHZVIBZVVSBLGE-UHFFFAOYSA-N 0 0 316.198 5.381 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000073639894 191335076 /nfs/dbraw/zinc/33/50/76/191335076.db2.gz NWOBWUMZHGGOKR-UHFFFAOYSA-N 0 0 311.599 5.499 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2cc1Cl ZINC000073639896 191335452 /nfs/dbraw/zinc/33/54/52/191335452.db2.gz PUFKATLPYRPQIM-UHFFFAOYSA-N 0 0 311.599 5.499 40 0 DKABRN Cc1cc2[nH]c(-c3cc(Cl)ccc3Cl)nc2cc1Cl ZINC000073639902 191335774 /nfs/dbraw/zinc/33/57/74/191335774.db2.gz BPDLLZSXHOSUPK-UHFFFAOYSA-N 0 0 311.599 5.499 40 0 DKABRN Clc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000073639913 191334876 /nfs/dbraw/zinc/33/48/76/191334876.db2.gz PPRGQPJRPXSGFN-UHFFFAOYSA-N 0 0 324.630 5.379 40 0 DKABRN Cc1cccc2nc(-c3cc(Br)ccc3Cl)oc21 ZINC000073639916 191335491 /nfs/dbraw/zinc/33/54/91/191335491.db2.gz KCYMHVMBRLKHRR-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN Cc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1 ZINC000073639919 191335578 /nfs/dbraw/zinc/33/55/78/191335578.db2.gz AUQWBYKFUMSUIA-UHFFFAOYSA-N 0 0 322.589 5.219 40 0 DKABRN CC(C)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000073639965 191335069 /nfs/dbraw/zinc/33/50/69/191335069.db2.gz XIPRMVGHQHYHQN-UHFFFAOYSA-N 0 0 306.192 5.925 40 0 DKABRN CCc1cc(N)cc2nc(-c3ccc(-c4ccccc4)cc3)oc21 ZINC000073641654 191334706 /nfs/dbraw/zinc/33/47/06/191334706.db2.gz SDPWOQCSAVHPKZ-UHFFFAOYSA-N 0 0 314.388 5.306 40 0 DKABRN Cc1cc2oc(-c3ccc(C(C)(C)C)cc3)nc2c(C)c1Cl ZINC000073642164 191335607 /nfs/dbraw/zinc/33/56/07/191335607.db2.gz GGTZHAALVZQDJW-UHFFFAOYSA-N 0 0 313.828 6.063 40 0 DKABRN CCc1cc(N)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000073642681 191335792 /nfs/dbraw/zinc/33/57/92/191335792.db2.gz NSQKOGUKEJLCJO-UHFFFAOYSA-N 0 0 322.795 5.446 40 0 DKABRN Cc1cccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000073739911 191350041 /nfs/dbraw/zinc/35/00/41/191350041.db2.gz VYWYZGHXSLJFGK-UHFFFAOYSA-N 0 0 318.807 5.654 40 0 DKABRN Cc1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000073739927 191350871 /nfs/dbraw/zinc/35/08/71/191350871.db2.gz AXWRDTVQVQXYAK-UHFFFAOYSA-N 0 0 318.807 5.654 40 0 DKABRN COc1cccc(-n2c3ccccc3nc2-c2ccc(C)cc2)c1 ZINC000073739940 191351311 /nfs/dbraw/zinc/35/13/11/191351311.db2.gz FBOCKVOJZKWWAI-UHFFFAOYSA-N 0 0 314.388 5.010 40 0 DKABRN COc1ccc(-n2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000073739955 563458965 /nfs/dbraw/zinc/45/89/65/563458965.db2.gz RVDQPEIZKHMUEP-UHFFFAOYSA-N 0 0 314.388 5.010 40 0 DKABRN Cc1ccc(-c2nc3ccccc3n2-c2ccc(F)cc2)cc1 ZINC000073739996 184931653 /nfs/dbraw/zinc/93/16/53/184931653.db2.gz JHZIRCUQSOTJSZ-UHFFFAOYSA-N 0 0 302.352 5.140 40 0 DKABRN Fc1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000073740001 184931561 /nfs/dbraw/zinc/93/15/61/184931561.db2.gz UKLOPTLUPQRBRN-UHFFFAOYSA-N 0 0 322.770 5.485 40 0 DKABRN Cc1ccc(-c2nc3ccccc3n2-c2ccc(C)c(C)c2)cc1 ZINC000073740020 563458765 /nfs/dbraw/zinc/45/87/65/563458765.db2.gz ZZVBMBQCKVXHAJ-UHFFFAOYSA-N 0 0 312.416 5.618 40 0 DKABRN Cc1ccc(-c2nc3ccccc3n2-c2cc(C)cc(C)c2)cc1 ZINC000073740036 184931714 /nfs/dbraw/zinc/93/17/14/184931714.db2.gz RCUGOCFPYHXECO-UHFFFAOYSA-N 0 0 312.416 5.618 40 0 DKABRN Cc1ccc(-n2c3ccccc3nc2-c2ccccc2)cc1Cl ZINC000073740046 563458971 /nfs/dbraw/zinc/45/89/71/563458971.db2.gz YTGGMLZWXIELGQ-UHFFFAOYSA-N 0 0 318.807 5.654 40 0 DKABRN Clc1ccc(-c2nc3ccccc3n2C2CCCCC2)cc1 ZINC000073740067 184931803 /nfs/dbraw/zinc/93/18/03/184931803.db2.gz RYQWSQQZEDQXLG-UHFFFAOYSA-N 0 0 310.828 5.862 40 0 DKABRN CC(C)Oc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000075289801 256547015 /nfs/dbraw/zinc/54/70/15/256547015.db2.gz OXZWCGKWNTZWFM-UHFFFAOYSA-N 0 0 324.207 5.033 40 0 DKABRN CCCCSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000075333104 563675674 /nfs/dbraw/zinc/67/56/74/563675674.db2.gz ZLUSMYPNJVWYSP-UHFFFAOYSA-N 0 0 323.465 5.135 40 0 DKABRN Cc1cccc2[nH]c(SCc3ccc(C(C)(C)C)cc3)nc21 ZINC000076555472 185022742 /nfs/dbraw/zinc/02/27/42/185022742.db2.gz CZRWTBJPRJHYHB-UHFFFAOYSA-N 0 0 310.466 5.461 40 0 DKABRN Cc1ccc(/C=C\c2ccc(/C=C\c3ccc(C)cc3)cc2)cc1 ZINC000077047766 185077777 /nfs/dbraw/zinc/07/77/77/185077777.db2.gz BCASZEAAHJEDAL-XSYHWHKQSA-N 0 0 310.440 6.644 40 0 DKABRN Cc1ccc(/C=C/c2ccc(/C=C\c3ccc(C)cc3)cc2)cc1 ZINC000077047770 185077910 /nfs/dbraw/zinc/07/79/10/185077910.db2.gz BCASZEAAHJEDAL-HEEUSZRZSA-N 0 0 310.440 6.644 40 0 DKABRN CCOC(c1ccccc1)(c1ccccc1)c1ccccc1Cl ZINC000077285692 563816713 /nfs/dbraw/zinc/81/67/13/563816713.db2.gz QVLBDAGOVAFTIX-UHFFFAOYSA-N 0 0 322.835 5.668 40 0 in-vitro DKABRN CC/C(=C(/CC)c1ccc(OC(C)=O)cc1)c1ccc(O)cc1 ZINC000077291490 563816592 /nfs/dbraw/zinc/81/65/92/563816592.db2.gz KRQVPGASQFBKSX-FMQUCBEESA-N 0 0 310.393 5.048 40 0 in-vitro DKABRN CCCCCCn1ccc(C(=O)c2cccc3ccccc32)c1 ZINC000077293337 191688468 /nfs/dbraw/zinc/68/84/68/191688468.db2.gz QTWPXDHMBKIWDK-UHFFFAOYSA-N 0 0 305.421 5.453 40 0 in-vitro DKABRN C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000077312587 563927635 /nfs/dbraw/zinc/92/76/35/563927635.db2.gz PETCQLIYOLSRPS-NDMLHFCBSA-N 0 0 302.502 5.336 40 0 in-vitro DKABRN Brc1cccc(-c2nc3cccc4cccc([nH]2)c43)c1 ZINC000078203739 563505899 /nfs/dbraw/zinc/50/58/99/563505899.db2.gz LRYDENSZNBLAKU-UHFFFAOYSA-N 0 0 323.193 5.146 40 0 DKABRN Clc1ccc(-c2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000078401154 563512462 /nfs/dbraw/zinc/51/24/62/563512462.db2.gz AMIWORWNWXAMJA-UHFFFAOYSA-N 0 0 301.176 5.117 40 0 DKABRN Fc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401170 563512312 /nfs/dbraw/zinc/51/23/12/563512312.db2.gz ROQNNNUDCNHLTC-UHFFFAOYSA-N 0 0 319.166 5.257 40 0 DKABRN Cc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401180 563512810 /nfs/dbraw/zinc/51/28/10/563512810.db2.gz KQFKDTXCWDLYFW-UHFFFAOYSA-N 0 0 315.203 5.426 40 0 DKABRN Fc1ccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401195 191857804 /nfs/dbraw/zinc/85/78/04/191857804.db2.gz FBOQEIZTBANDRI-UHFFFAOYSA-N 0 0 319.166 5.257 40 0 DKABRN Fc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 ZINC000078401237 563512681 /nfs/dbraw/zinc/51/26/81/563512681.db2.gz DZBMYSLSXXSYGV-UHFFFAOYSA-N 0 0 319.166 5.257 40 0 DKABRN Cc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 ZINC000078401243 191858007 /nfs/dbraw/zinc/85/80/07/191858007.db2.gz UJOUXGGXXWEMBA-UHFFFAOYSA-N 0 0 315.203 5.426 40 0 DKABRN Fc1cccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000078401265 191857791 /nfs/dbraw/zinc/85/77/91/191857791.db2.gz JQHDMWMTSDSEIZ-UHFFFAOYSA-N 0 0 319.166 5.257 40 0 DKABRN Clc1ccc(-c2cc(Cl)nc(Cc3ccccc3)n2)cc1 ZINC000078401347 191858514 /nfs/dbraw/zinc/85/85/14/191858514.db2.gz QCFBKUUHETUXSA-UHFFFAOYSA-N 0 0 315.203 5.041 40 0 DKABRN CCCCc1ccc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000078401543 563513298 /nfs/dbraw/zinc/51/32/98/563513298.db2.gz VEWRYYHVPXRPDR-UHFFFAOYSA-N 0 0 320.392 5.019 40 0 DKABRN CCCCc1ccc2[nH+]ccc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000078401546 563513100 /nfs/dbraw/zinc/51/31/00/563513100.db2.gz YKXGNBTXIIAALR-UHFFFAOYSA-N 0 0 320.392 5.019 40 0 DKABRN CCCCc1ccc2[nH+]ccc(Nc3ccccc3C(=O)[O-])c2c1 ZINC000078401548 563513392 /nfs/dbraw/zinc/51/33/92/563513392.db2.gz AKMATBYHKPASGV-UHFFFAOYSA-N 0 0 320.392 5.019 40 0 DKABRN Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(C(C)C)ccc2[nH+]1 ZINC000078401610 563513204 /nfs/dbraw/zinc/51/32/04/563513204.db2.gz MQBGVCXRAKZHSM-UHFFFAOYSA-N 0 0 320.392 5.108 40 0 DKABRN Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(C(C)C)ccc2[nH+]1 ZINC000078401612 563513090 /nfs/dbraw/zinc/51/30/90/563513090.db2.gz FYPHVSIXXKCXEQ-UHFFFAOYSA-N 0 0 320.392 5.108 40 0 DKABRN Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(C(C)C)ccc2[nH+]1 ZINC000078401614 563513157 /nfs/dbraw/zinc/51/31/57/563513157.db2.gz XAMNQEDQIARYFF-UHFFFAOYSA-N 0 0 320.392 5.108 40 0 DKABRN Clc1cnc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000078406953 191859561 /nfs/dbraw/zinc/85/95/61/191859561.db2.gz BBSQZPWJUOJXMF-UHFFFAOYSA-N 0 0 306.752 5.210 40 0 DKABRN Clc1cnc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000078406966 563884319 /nfs/dbraw/zinc/88/43/19/563884319.db2.gz SQGNIRCHHMDQIA-UHFFFAOYSA-N 0 0 315.159 5.350 40 0 DKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000078457579 563513338 /nfs/dbraw/zinc/51/33/38/563513338.db2.gz PSGSZQLUKQRZPA-LLVKDONJSA-N 0 0 322.235 5.047 40 0 DKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000078457585 191865333 /nfs/dbraw/zinc/86/53/33/191865333.db2.gz PSGSZQLUKQRZPA-NSHDSACASA-N 0 0 322.235 5.047 40 0 DKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000078457688 191865468 /nfs/dbraw/zinc/86/54/68/191865468.db2.gz MGYSEQKJCNBOIW-OAHLLOKOSA-N 0 0 309.453 5.038 40 0 DKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000078457697 563513024 /nfs/dbraw/zinc/51/30/24/563513024.db2.gz MGYSEQKJCNBOIW-HNNXBMFYSA-N 0 0 309.453 5.038 40 0 DKABRN CC1(C)c2cc(Br)ccc2-c2ccc3ccccc3c21 ZINC000079062350 185152022 /nfs/dbraw/zinc/15/20/22/185152022.db2.gz BXVWLQIKNMFQCS-UHFFFAOYSA-N 0 0 323.233 5.909 40 0 DKABRN CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000079160688 185160710 /nfs/dbraw/zinc/16/07/10/185160710.db2.gz DIRFKRKDYVZWDV-JTDCBSPISA-N 0 0 302.502 5.624 40 0 DKABRN Brc1ccc(C(c2ccccc2)c2ccccc2)cc1 ZINC000079465604 563515110 /nfs/dbraw/zinc/51/51/10/563515110.db2.gz ZKBJZZPVVJTVCT-UHFFFAOYSA-N 0 0 323.233 5.629 40 0 DKABRN CC(C)CCSc1nc2ccccc2n1CC1CCCCC1 ZINC000082087086 192354241 /nfs/dbraw/zinc/35/42/41/192354241.db2.gz FWIBKBAOWJUHKR-UHFFFAOYSA-N 0 0 316.514 5.755 40 0 DKABRN Cc1ccc(COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000082372247 563923389 /nfs/dbraw/zinc/92/33/89/563923389.db2.gz IWLYUGGFLUNRAW-PXLXIMEGSA-N 0 0 316.404 5.020 40 0 DKABRN CC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000083261972 185221716 /nfs/dbraw/zinc/22/17/16/185221716.db2.gz NWNSDNWCYSYUMD-MVSFUWRLSA-N 0 0 302.546 6.691 40 0 DKABRN CCCCOc1ccc(-c2ccc(Br)cc2)cc1 ZINC000084220394 563520017 /nfs/dbraw/zinc/52/00/17/563520017.db2.gz UPLBTVYITAGXGL-UHFFFAOYSA-N 0 0 305.215 5.295 40 0 DKABRN Cc1ccc2[nH]c(-c3ccc(-c4ccccc4Cl)o3)nc2c1 ZINC000085345277 563912559 /nfs/dbraw/zinc/91/25/59/563912559.db2.gz KOCVIMXJOSIUGY-UHFFFAOYSA-N 0 0 308.768 5.452 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(-c4ccccc4Cl)o3)nc2c(C)c1 ZINC000085345279 563912542 /nfs/dbraw/zinc/91/25/42/563912542.db2.gz VULZCJXCUXIPJR-UHFFFAOYSA-N 0 0 322.795 5.760 40 0 DKABRN Cc1ccc2[nH]c(-c3ccc(-c4cccc(Cl)c4)o3)nc2c1 ZINC000085345291 563912602 /nfs/dbraw/zinc/91/26/02/563912602.db2.gz TZVFAFJBXNODFZ-UHFFFAOYSA-N 0 0 308.768 5.452 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(-c4cccc(Cl)c4)o3)nc2c(C)c1 ZINC000085345295 563912510 /nfs/dbraw/zinc/91/25/10/563912510.db2.gz INTZGAMNZXSBAD-UHFFFAOYSA-N 0 0 322.795 5.760 40 0 DKABRN Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)o3)nc2c(C)c1 ZINC000085345296 563912539 /nfs/dbraw/zinc/91/25/39/563912539.db2.gz FLLLJJXJMIXULS-UHFFFAOYSA-N 0 0 322.795 5.760 40 0 DKABRN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000085345299 563912527 /nfs/dbraw/zinc/91/25/27/563912527.db2.gz MUUVBKXEFVPMQZ-UHFFFAOYSA-N 0 0 308.768 5.452 40 0 DKABRN CCc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000085345570 192492931 /nfs/dbraw/zinc/49/29/31/192492931.db2.gz ZBDNSYDLZUUHJI-UHFFFAOYSA-N 0 0 315.441 6.193 40 0 DKABRN CC[C@H](OC(C)C)c1ccc(Br)c2ccccc21 ZINC000085391201 563569283 /nfs/dbraw/zinc/56/92/83/563569283.db2.gz PCAVISGNFPLQKU-INIZCTEOSA-N 0 0 307.231 5.478 40 0 DKABRN CC[C@@H](OC(C)C)c1ccc(Br)c2ccccc21 ZINC000085391205 563569001 /nfs/dbraw/zinc/56/90/01/563569001.db2.gz PCAVISGNFPLQKU-MRXNPFEDSA-N 0 0 307.231 5.478 40 0 DKABRN Cc1sc(-c2cccc(N)c2)nc1-c1cc(C)c(C)cc1C ZINC000085397352 192499849 /nfs/dbraw/zinc/49/98/49/192499849.db2.gz VGYHBWVYHFIHIR-UHFFFAOYSA-N 0 0 308.450 5.293 40 0 DKABRN Cc1sc(-c2cccc(N)c2)nc1-c1c(C)cc(C)cc1C ZINC000085397353 192500533 /nfs/dbraw/zinc/50/05/33/192500533.db2.gz BMZZLCIZSDRZLF-UHFFFAOYSA-N 0 0 308.450 5.293 40 0 DKABRN CCOc1ccc(-c2nc(-c3cccc(N)c3)sc2C)c(C)c1 ZINC000085397356 563568977 /nfs/dbraw/zinc/56/89/77/563568977.db2.gz ZVAKWIIARUXEQU-UHFFFAOYSA-N 0 0 324.449 5.075 40 0 DKABRN CCOc1ccc(-c2nc(-c3cccc(N)c3)sc2C)cc1C ZINC000085397358 563569276 /nfs/dbraw/zinc/56/92/76/563569276.db2.gz SOJHHUAPSZPKCX-UHFFFAOYSA-N 0 0 324.449 5.075 40 0 DKABRN O=C1c2cccc3[nH]cc(c32)-c2cccc(Oc3ccccc3)c21 ZINC000085409353 563520732 /nfs/dbraw/zinc/52/07/32/563520732.db2.gz NWVCXADKGJDHES-UHFFFAOYSA-N 0 0 311.340 5.172 40 0 DKABRN C/C(=C/c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000085606754 563521321 /nfs/dbraw/zinc/52/13/21/563521321.db2.gz MUJQTAMVZYFLCR-ICFOKQHNSA-N 0 0 304.477 6.596 40 0 DKABRN COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000086583521 256548014 /nfs/dbraw/zinc/54/80/14/256548014.db2.gz LZCPJRHZKRUYFI-UHFFFAOYSA-N 0 0 316.615 5.268 40 0 DKABRN Fc1cccc(SCc2ccc(Br)cc2F)c1 ZINC000089064029 563523363 /nfs/dbraw/zinc/52/33/63/563523363.db2.gz RWUFJASORIWSKE-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN CCOc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 ZINC000089065144 521402967 /nfs/dbraw/zinc/40/29/67/521402967.db2.gz RQFPFTGDPMTWKL-UHFFFAOYSA-N 0 0 304.802 5.092 40 0 DKABRN CSc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 ZINC000089065146 526141289 /nfs/dbraw/zinc/14/12/89/526141289.db2.gz MCJOGJNVNZHSSH-UHFFFAOYSA-N 0 0 306.843 5.415 40 0 DKABRN CC(C)c1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065151 519837801 /nfs/dbraw/zinc/83/78/01/519837801.db2.gz GIUDPCNCQHUBJR-UHFFFAOYSA-N 0 0 302.830 5.817 40 0 DKABRN CC(C)(C)c1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065153 563914197 /nfs/dbraw/zinc/91/41/97/563914197.db2.gz JRCUUAXALPFDCJ-UHFFFAOYSA-N 0 0 316.857 5.991 40 0 DKABRN CCOc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065156 331965492 /nfs/dbraw/zinc/96/54/92/331965492.db2.gz AQJBSSQOTAABQQ-UHFFFAOYSA-N 0 0 304.802 5.092 40 0 DKABRN CSc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065158 340545889 /nfs/dbraw/zinc/54/58/89/340545889.db2.gz IDZWPPLBCOTXSH-UHFFFAOYSA-N 0 0 306.843 5.415 40 0 DKABRN Fc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1Cl ZINC000089065160 563914266 /nfs/dbraw/zinc/91/42/66/563914266.db2.gz ODVWKSCWUJLPMB-UHFFFAOYSA-N 0 0 313.184 5.486 40 0 DKABRN Fc1ccc(Nc2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000089065161 340545908 /nfs/dbraw/zinc/54/59/08/340545908.db2.gz GWUWBDBQQUIEAX-UHFFFAOYSA-N 0 0 313.184 5.486 40 0 DKABRN Fc1cc(Cl)ccc1Nc1nc2ccc(Cl)cc2s1 ZINC000089065162 340545959 /nfs/dbraw/zinc/54/59/59/340545959.db2.gz LHTODVXKFMXQIL-UHFFFAOYSA-N 0 0 313.184 5.486 40 0 DKABRN Cc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1Cl ZINC000089065163 340545907 /nfs/dbraw/zinc/54/59/07/340545907.db2.gz WXLFVGDJOKXKLI-UHFFFAOYSA-N 0 0 309.221 5.655 40 0 DKABRN Cc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2s1 ZINC000089065164 340545885 /nfs/dbraw/zinc/54/58/85/340545885.db2.gz IUCJSJDUODYKHU-UHFFFAOYSA-N 0 0 309.221 5.655 40 0 DKABRN Cc1cccc2cc(C=O)c(Sc3ccc(Cl)cc3)nc12 ZINC000089261569 192752883 /nfs/dbraw/zinc/75/28/83/192752883.db2.gz WFTYIMBHIONDLC-UHFFFAOYSA-N 0 0 313.809 5.160 40 0 DKABRN Cc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1 ZINC000089261591 563524053 /nfs/dbraw/zinc/52/40/53/563524053.db2.gz ABHDIAKPVGINRP-UHFFFAOYSA-N 0 0 313.809 5.160 40 0 DKABRN Clc1ccc(-c2csc(-c3cccnc3Cl)n2)cc1 ZINC000089262229 563524184 /nfs/dbraw/zinc/52/41/84/563524184.db2.gz WBILLLXRZQDUEX-UHFFFAOYSA-N 0 0 307.205 5.179 40 0 DKABRN Cc1ccc(C)c(-c2csc(-c3cccnc3Cl)n2)c1 ZINC000089262233 563524192 /nfs/dbraw/zinc/52/41/92/563524192.db2.gz COCNSOMHMFFIKP-UHFFFAOYSA-N 0 0 300.814 5.142 40 0 DKABRN Clc1cc(-c2nc(-c3ccccc3Cl)cs2)ccn1 ZINC000089263524 563524156 /nfs/dbraw/zinc/52/41/56/563524156.db2.gz WAYWXAIXAJQNLA-UHFFFAOYSA-N 0 0 307.205 5.179 40 0 DKABRN CC[C@](c1ccccc1)(C(C)C)[C@](CC)(c1ccccc1)C(C)C ZINC000090413656 340545883 /nfs/dbraw/zinc/54/58/83/340545883.db2.gz OUKXKBMBVJBFBN-PSWAGMNNSA-N 0 0 322.536 6.994 40 0 DKABRN CC[C@](c1ccccc1)(C(C)C)[C@@](CC)(c1ccccc1)C(C)C ZINC000090413658 340545969 /nfs/dbraw/zinc/54/59/69/340545969.db2.gz OUKXKBMBVJBFBN-DNQXCXABSA-N 0 0 322.536 6.994 40 0 DKABRN CC[C@@](c1ccccc1)(C(C)C)[C@](CC)(c1ccccc1)C(C)C ZINC000090413660 340545909 /nfs/dbraw/zinc/54/59/09/340545909.db2.gz OUKXKBMBVJBFBN-ZEQRLZLVSA-N 0 0 322.536 6.994 40 0 DKABRN CCCCC/C=C/C/C=C\CCCCCCCCOC(C)=O ZINC000090427416 185295568 /nfs/dbraw/zinc/29/55/68/185295568.db2.gz KFXARGMQYWECBV-LFOHPMNASA-N 0 0 308.506 6.363 40 0 DKABRN CCCCC/C=C\C/C=C/CCCCCCCCOC(C)=O ZINC000090427419 185295546 /nfs/dbraw/zinc/29/55/46/185295546.db2.gz KFXARGMQYWECBV-QEFCTBRHSA-N 0 0 308.506 6.363 40 0 DKABRN CC(C)(C)c1cc(Cl)c2c(c1)CN(C1CCCCC1)CO2 ZINC000090484057 185298619 /nfs/dbraw/zinc/29/86/19/185298619.db2.gz JBGXQLSQWZKGDR-UHFFFAOYSA-N 0 0 307.865 5.122 40 0 DKABRN Clc1ccc(/C=C\c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000090485421 185298642 /nfs/dbraw/zinc/29/86/42/185298642.db2.gz VUHIYMLPHNVANS-UPHRSURJSA-N 0 0 318.030 6.471 40 0 DKABRN Cc1cc(-c2ccc(Cl)cc2)c(Br)c(Cl)n1 ZINC000090487105 185298750 /nfs/dbraw/zinc/29/87/50/185298750.db2.gz NPBHGLVIAOGANJ-UHFFFAOYSA-N 0 0 317.013 5.126 40 0 DKABRN Clc1ccccc1/C=C\C=C1c2ccccc2-c2ccccc21 ZINC000090494772 185299106 /nfs/dbraw/zinc/29/91/06/185299106.db2.gz VPBIMQYLYAKIAR-CLFYSBASSA-N 0 0 314.815 6.466 40 0 DKABRN C(=C\c1cccc2ccccc12)\c1ccc(-c2ccccc2)cc1 ZINC000090751476 563525038 /nfs/dbraw/zinc/52/50/38/563525038.db2.gz CZVOZGZTQHYDST-SDXDJHTJSA-N 0 0 306.408 6.677 40 0 DKABRN Brc1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000095093245 563773775 /nfs/dbraw/zinc/77/37/75/563773775.db2.gz AVESHYKDJMFQGJ-UHFFFAOYSA-N 0 0 310.194 5.178 40 0 DKABRN O=Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000095094957 563653097 /nfs/dbraw/zinc/65/30/97/563653097.db2.gz QWAJYMXWWKONTP-UHFFFAOYSA-N 0 0 314.743 5.024 40 0 DKABRN O=Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000095094958 563652919 /nfs/dbraw/zinc/65/29/19/563652919.db2.gz SNDJFPMYUIUIBS-UHFFFAOYSA-N 0 0 314.743 5.024 40 0 DKABRN Cc1ccc(C=O)c(OCc2ccc(Cl)cc2Cl)c1C ZINC000095095138 563653550 /nfs/dbraw/zinc/65/35/50/563653550.db2.gz TUODYHMDNDPCRU-UHFFFAOYSA-N 0 0 309.192 5.002 40 0 DKABRN Cc1ccc(C=O)c(OCc2c(Cl)cccc2Cl)c1C ZINC000095095148 193423214 /nfs/dbraw/zinc/42/32/14/193423214.db2.gz PSRWIJBUZORKPQ-UHFFFAOYSA-N 0 0 309.192 5.002 40 0 DKABRN Cc1ccc(C=O)c(OCc2ccc(Cl)c(Cl)c2)c1C ZINC000095095151 563653319 /nfs/dbraw/zinc/65/33/19/563653319.db2.gz HLVZCBICNMCDEU-UHFFFAOYSA-N 0 0 309.192 5.002 40 0 DKABRN FC(F)(F)c1ccc2nc(Cl)c(Cl)c(Cl)c2c1 ZINC000095098203 563668416 /nfs/dbraw/zinc/66/84/16/563668416.db2.gz MLWWIQRYIQOTBH-UHFFFAOYSA-N 0 0 300.494 5.214 40 0 DKABRN Clc1cc(Cl)c2nc(Cl)c(Cl)c(Cl)c2c1 ZINC000095098207 563668403 /nfs/dbraw/zinc/66/84/03/563668403.db2.gz BZHHWLFRGMOHFU-UHFFFAOYSA-N 0 0 301.387 5.502 40 0 DKABRN Clc1ccc2c(Cl)c(Cl)c(Cl)nc2c1Cl ZINC000095098209 193423542 /nfs/dbraw/zinc/42/35/42/193423542.db2.gz BDUXXLFKCHCVLH-UHFFFAOYSA-N 0 0 301.387 5.502 40 0 DKABRN CCOc1ccc/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000095482110 185373894 /nfs/dbraw/zinc/37/38/94/185373894.db2.gz IVHUVJYOGCYPAT-RELWKKBWSA-N 0 0 321.420 5.298 40 0 DKABRN O=Cc1ccc2ccccc2c1-c1c(C=O)ccc2ccccc21 ZINC000095611691 185382752 /nfs/dbraw/zinc/38/27/52/185382752.db2.gz LLHYEUXBUWGNGH-UHFFFAOYSA-N 0 0 310.352 5.285 40 0 DKABRN FC(F)(F)c1cc(Br)c2ccccc2c1Cl ZINC000095611728 185382660 /nfs/dbraw/zinc/38/26/60/185382660.db2.gz XBMSGRBWXDVNEB-UHFFFAOYSA-N 0 0 309.512 5.275 40 0 DKABRN CCCCCCn1cccc1C(=O)c1cccc2ccccc21 ZINC000095705039 563931754 /nfs/dbraw/zinc/93/17/54/563931754.db2.gz BLHPKPCKNONGJP-UHFFFAOYSA-N 0 0 305.421 5.453 40 0 in-vitro DKABRN CC(C)(C)c1ccc(-c2cccc(C(=O)C(F)(F)F)c2)cc1 ZINC000095728901 185383481 /nfs/dbraw/zinc/38/34/81/185383481.db2.gz OMNYAHMXVPTVDC-UHFFFAOYSA-N 0 0 306.327 5.396 40 0 DKABRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCC1 ZINC000095731398 185383620 /nfs/dbraw/zinc/38/36/20/185383620.db2.gz PMEKSRJQUHQGJS-UHFFFAOYSA-N 0 0 310.237 5.097 40 0 DKABRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 ZINC000095731402 185383640 /nfs/dbraw/zinc/38/36/40/185383640.db2.gz JUZDYEJPSMTTOL-UHFFFAOYSA-N 0 0 324.264 5.487 40 0 DKABRN Fc1cccc(SCc2cc(F)ccc2Br)c1 ZINC000095733265 185383724 /nfs/dbraw/zinc/38/37/24/185383724.db2.gz YMAYSSVIKCEOMS-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1ccc(SCc2cccc(Cl)c2F)cc1Cl ZINC000095733304 185383622 /nfs/dbraw/zinc/38/36/22/185383622.db2.gz HRRQVPZNOWWXCV-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(CSc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000095733312 185383644 /nfs/dbraw/zinc/38/36/44/185383644.db2.gz NIHOSXURPWHGLU-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(SCc2c(F)cccc2Cl)cc1Cl ZINC000095733315 185383736 /nfs/dbraw/zinc/38/37/36/185383736.db2.gz JQAGUEWSLOBBSL-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(CSc2ccc(F)c(Cl)c2)cc1Cl ZINC000095733318 185383583 /nfs/dbraw/zinc/38/35/83/185383583.db2.gz GSJCLUIHSNRJEJ-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(SCc2ccc(Cl)cc2F)cc1Cl ZINC000095733325 185383643 /nfs/dbraw/zinc/38/36/43/185383643.db2.gz OHQFSOPSILRIKK-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(SCc2ccc(Cl)c(F)c2)cc1Cl ZINC000095733329 185383605 /nfs/dbraw/zinc/38/36/05/185383605.db2.gz JOBLAGZOEHFRHI-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(Cl)cc(SCc2cccc(Cl)c2F)c1 ZINC000095733372 185383731 /nfs/dbraw/zinc/38/37/31/185383731.db2.gz RUROOBOVBXFSLH-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(CSc2cc(F)cc(Cl)c2)c(Cl)c1 ZINC000095733382 185383679 /nfs/dbraw/zinc/38/36/79/185383679.db2.gz CNHPKAJOHALJHR-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(Cl)cc(SCc2c(F)cccc2Cl)c1 ZINC000095733385 185383715 /nfs/dbraw/zinc/38/37/15/185383715.db2.gz XMVYMZJTBYDWTK-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(Cl)cc(SCc2ccc(F)c(Cl)c2)c1 ZINC000095733386 185383606 /nfs/dbraw/zinc/38/36/06/185383606.db2.gz LZVTUTVLAFAAFP-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(Cl)cc(SCc2ccc(Cl)cc2F)c1 ZINC000095733391 185383600 /nfs/dbraw/zinc/38/36/00/185383600.db2.gz IBCDMWOKBNETPZ-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(Cl)cc(SCc2ccc(Cl)c(F)c2)c1 ZINC000095733396 185383697 /nfs/dbraw/zinc/38/36/97/185383697.db2.gz UJOSUHBYCUEBTD-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(SCc2cccc(Cl)c2F)ccc1Cl ZINC000095733431 185383710 /nfs/dbraw/zinc/38/37/10/185383710.db2.gz HGQDZZHWKNPFAF-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(CSc2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000095733442 185383546 /nfs/dbraw/zinc/38/35/46/185383546.db2.gz BOVABKBUPIUGHB-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cccc(Cl)c1CSc1ccc(Cl)c(F)c1 ZINC000095733445 185383576 /nfs/dbraw/zinc/38/35/76/185383576.db2.gz SSFRSZCANHEURO-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1ccc(CSc2ccc(Cl)c(F)c2)cc1Cl ZINC000095733448 185383745 /nfs/dbraw/zinc/38/37/45/185383745.db2.gz ZBJHALBXPJTRAD-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(SCc2ccc(Cl)cc2F)ccc1Cl ZINC000095733452 185383739 /nfs/dbraw/zinc/38/37/39/185383739.db2.gz LOELETXMDVCRKG-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(CSc2ccc(Cl)c(F)c2)ccc1Cl ZINC000095733455 185383653 /nfs/dbraw/zinc/38/36/53/185383653.db2.gz VGDIZDRRAHBXRE-UHFFFAOYSA-N 0 0 305.176 5.564 40 0 DKABRN Fc1cc(F)cc(SCc2ccc(Br)cc2)c1 ZINC000095733594 185383663 /nfs/dbraw/zinc/38/36/63/185383663.db2.gz HOXMLXSGNOYEPJ-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1cc(F)cc(SCc2cccc(Br)c2)c1 ZINC000095733596 185383703 /nfs/dbraw/zinc/38/37/03/185383703.db2.gz LDAOQKUCNFCGDK-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1cc(F)cc(SCc2ccccc2Br)c1 ZINC000095733599 185383725 /nfs/dbraw/zinc/38/37/25/185383725.db2.gz SLTMSNYYQYEPOS-UHFFFAOYSA-N 0 0 315.182 5.020 40 0 DKABRN Fc1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000095733733 185383575 /nfs/dbraw/zinc/38/35/75/185383575.db2.gz NIDCKJRNVIVVSC-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN Fc1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000095733735 185383660 /nfs/dbraw/zinc/38/36/60/185383660.db2.gz QHJQRKYKSHMBFD-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN Fc1ccccc1COc1cc(C(F)(F)F)ccc1Cl ZINC000095733738 185383691 /nfs/dbraw/zinc/38/36/91/185383691.db2.gz QYHJLJHFPNQOKV-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN Fc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000095733771 185383648 /nfs/dbraw/zinc/38/36/48/185383648.db2.gz JDKKIQFXHGKKCB-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN Fc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000095733774 185383650 /nfs/dbraw/zinc/38/36/50/185383650.db2.gz MVPHDQNZOFFCTJ-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN Fc1ccccc1COc1ccc(C(F)(F)F)cc1Cl ZINC000095733777 185383588 /nfs/dbraw/zinc/38/35/88/185383588.db2.gz UZBJGPSQZMXQRH-UHFFFAOYSA-N 0 0 304.670 5.077 40 0 DKABRN FC(F)(F)Oc1ccc(-c2cccc(Br)c2)cc1 ZINC000095739476 185383951 /nfs/dbraw/zinc/38/39/51/185383951.db2.gz PTUOIHUSEXFGHF-UHFFFAOYSA-N 0 0 317.104 5.015 40 0 DKABRN FC(F)(F)Oc1cccc(-c2ccc(Br)cc2)c1 ZINC000095739477 185383899 /nfs/dbraw/zinc/38/38/99/185383899.db2.gz GLFCZEOJHDLQFC-UHFFFAOYSA-N 0 0 317.104 5.015 40 0 DKABRN FC(F)(F)Oc1cccc(-c2cccc(Br)c2)c1 ZINC000095739478 185383803 /nfs/dbraw/zinc/38/38/03/185383803.db2.gz OKELHYYEZJZRCN-UHFFFAOYSA-N 0 0 317.104 5.015 40 0 DKABRN Fc1cc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1 ZINC000095740183 185383785 /nfs/dbraw/zinc/38/37/85/185383785.db2.gz CKQVINQNJDWKHC-UHFFFAOYSA-N 0 0 319.095 5.274 40 0 DKABRN Fc1cc(-c2cccc(Br)c2)cc(C(F)(F)F)c1 ZINC000095740184 185383832 /nfs/dbraw/zinc/38/38/32/185383832.db2.gz SRLDZVCXUIYTDX-UHFFFAOYSA-N 0 0 319.095 5.274 40 0 DKABRN Fc1ccc(-c2cc3c(ncc(C(F)(F)F)c3Cl)[nH]2)cc1 ZINC000095803697 185384026 /nfs/dbraw/zinc/38/40/26/185384026.db2.gz YNUOOLDEBSLIDP-UHFFFAOYSA-N 0 0 314.669 5.041 40 0 DKABRN CCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095864655 563530729 /nfs/dbraw/zinc/53/07/29/563530729.db2.gz PUTSHCSOTBWQAI-FDFHNCONSA-N 0 0 310.610 8.252 40 0 DKABRN CCCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095864659 193448416 /nfs/dbraw/zinc/44/84/16/193448416.db2.gz PUTSHCSOTBWQAI-FKBYEOEOSA-N 0 0 310.610 8.252 40 0 DKABRN Cc1cc2ccccc2c(-c2c(O)c(C)cc3ccccc32)c1O ZINC000095864683 563530897 /nfs/dbraw/zinc/53/08/97/563530897.db2.gz DUCXKDDVZDDQIO-UHFFFAOYSA-N 0 0 314.384 5.688 40 0 DKABRN Fc1ccc(-c2cccc(Cc3ccccc3F)c2Cl)cc1 ZINC000095864689 563530480 /nfs/dbraw/zinc/53/04/80/563530480.db2.gz IPPQYHXJPKODRD-UHFFFAOYSA-N 0 0 314.762 5.876 40 0 DKABRN CCCCc1ccc(-c2ccc(Br)cc2F)cc1 ZINC000095869831 563530525 /nfs/dbraw/zinc/53/05/25/563530525.db2.gz LDQABRHKJNCPFO-UHFFFAOYSA-N 0 0 307.206 5.598 40 0 DKABRN COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095869859 193448443 /nfs/dbraw/zinc/44/84/43/193448443.db2.gz UYRKOPHGLDACOQ-VDBGNAEESA-N 0 0 318.501 5.208 40 0 DKABRN c1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3n2c1 ZINC000095869864 563530518 /nfs/dbraw/zinc/53/05/18/563530518.db2.gz FUBWBHSCPVNHME-UHFFFAOYSA-N 0 0 319.407 6.427 40 0 DKABRN CCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095869886 563530697 /nfs/dbraw/zinc/53/06/97/563530697.db2.gz FTURMMDCPOYSAQ-RJGXRXQPSA-N 0 0 324.637 8.642 40 0 DKABRN CCCCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095869888 193448303 /nfs/dbraw/zinc/44/83/03/193448303.db2.gz FTURMMDCPOYSAQ-VABKMULXSA-N 0 0 324.637 8.642 40 0 DKABRN CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)OCC ZINC000095896287 563530519 /nfs/dbraw/zinc/53/05/19/563530519.db2.gz JYYFMIOPGOFNPK-KFGXGMAESA-N 0 0 306.490 6.139 40 0 DKABRN CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OCC ZINC000095896288 193448248 /nfs/dbraw/zinc/44/82/48/193448248.db2.gz JYYFMIOPGOFNPK-OMKQVKJBSA-N 0 0 306.490 6.139 40 0 DKABRN CCCCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000095915497 193449030 /nfs/dbraw/zinc/44/90/30/193449030.db2.gz SRCFMSSWODFPGF-UHFFFAOYSA-N 0 0 319.242 5.371 40 0 DKABRN CCCCc1ccc(OCc2cccc(Br)c2)cc1 ZINC000095915498 563530490 /nfs/dbraw/zinc/53/04/90/563530490.db2.gz ZBXGAEJSHGYQGO-UHFFFAOYSA-N 0 0 319.242 5.371 40 0 DKABRN CCCCc1ccc(OCc2ccccc2Br)cc1 ZINC000095915499 563530485 /nfs/dbraw/zinc/53/04/85/563530485.db2.gz JXAFHKKERLJAEN-UHFFFAOYSA-N 0 0 319.242 5.371 40 0 DKABRN CC(C)(C)c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000095916154 193449405 /nfs/dbraw/zinc/44/94/05/193449405.db2.gz DDEIFGNSYXLSAR-UHFFFAOYSA-N 0 0 314.428 5.882 40 0 DKABRN O=C(c1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000095917278 193449652 /nfs/dbraw/zinc/44/96/52/193449652.db2.gz CNVZCWJGVRLYND-UHFFFAOYSA-N 0 0 301.172 5.378 40 0 DKABRN 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0 0 317.432 5.495 40 0 DKABRN CCc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1 ZINC000394407863 563957354 /nfs/dbraw/zinc/95/73/54/563957354.db2.gz HEBOPVZKLLREMA-UHFFFAOYSA-N 0 0 317.432 5.440 40 0 DKABRN CCc1ccccc1NCc1cccc(OCc2ccccc2)c1 ZINC000394409330 563957365 /nfs/dbraw/zinc/95/73/65/563957365.db2.gz IEZRKSSQGLMPAK-UHFFFAOYSA-N 0 0 317.432 5.440 40 0 DKABRN Cc1ccccc1NCc1cccc(OCc2ccccc2)c1 ZINC000394410735 262504215 /nfs/dbraw/zinc/50/42/15/262504215.db2.gz JENRSWXEEVKJCP-UHFFFAOYSA-N 0 0 303.405 5.186 40 0 DKABRN Cc1cccc(NCc2cccc(OCc3ccccc3)c2)c1 ZINC000394415384 563957363 /nfs/dbraw/zinc/95/73/63/563957363.db2.gz MXTWFFKWODSQJS-UHFFFAOYSA-N 0 0 303.405 5.186 40 0 DKABRN Cc1ccc(NCc2cccc(OCc3ccccc3)c2)c(C)c1 ZINC000394428394 563599317 /nfs/dbraw/zinc/59/93/17/563599317.db2.gz WGICBGRSBNYOAP-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN Cc1ccc(C)c(NCc2cccc(OCc3ccccc3)c2)c1 ZINC000394431500 262504254 /nfs/dbraw/zinc/50/42/54/262504254.db2.gz XRUNHZUQIKROEL-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CC(=O)Nc1ccccc1SCc1cccc2ccccc21 ZINC000408526454 257230149 /nfs/dbraw/zinc/23/01/49/257230149.db2.gz BBUSLGVYMOKYKV-UHFFFAOYSA-N 0 0 307.418 5.091 40 0 DKABRN Cc1ccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000408545803 257230212 /nfs/dbraw/zinc/23/02/12/257230212.db2.gz OLJRRSRVTXWTEP-FOCLMDBBSA-N 0 0 313.400 5.314 40 0 DKABRN C[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000408564701 257229938 /nfs/dbraw/zinc/22/99/38/257229938.db2.gz DXDRQXANIZEEBR-AWEZNQCLSA-N 0 0 315.372 5.077 40 0 DKABRN C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000408564702 257229703 /nfs/dbraw/zinc/22/97/03/257229703.db2.gz DXDRQXANIZEEBR-CQSZACIVSA-N 0 0 315.372 5.077 40 0 DKABRN CC[C@@H](C)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 ZINC000408567336 257229532 /nfs/dbraw/zinc/22/95/32/257229532.db2.gz CYOJSKILKCHFCC-CYBMUJFWSA-N 0 0 323.392 5.207 40 0 DKABRN CC[C@H](C)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 ZINC000408567338 257229546 /nfs/dbraw/zinc/22/95/46/257229546.db2.gz CYOJSKILKCHFCC-ZDUSSCGKSA-N 0 0 323.392 5.207 40 0 DKABRN CCc1ccc(CNC(=S)c2ccc(C(C)(C)C)cc2)cc1 ZINC000408571369 257229859 /nfs/dbraw/zinc/22/98/59/257229859.db2.gz ALZCWEACZFQKHM-UHFFFAOYSA-N 0 0 311.494 5.012 40 0 DKABRN CC(C)(C)c1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 ZINC000408572530 257229572 /nfs/dbraw/zinc/22/95/72/257229572.db2.gz JIWFCQKPMWJNQO-UHFFFAOYSA-N 0 0 317.885 5.103 40 0 DKABRN O=C(NC1CCCCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000408575214 257229881 /nfs/dbraw/zinc/22/98/81/257229881.db2.gz HHRBNQWEIJFIDE-CAPFRKAQSA-N 0 0 323.436 5.049 40 0 DKABRN CC(C)(C)c1ccc(C(=S)NCc2ccccc2Cl)cc1 ZINC000408576971 257229708 /nfs/dbraw/zinc/22/97/08/257229708.db2.gz ZEZIENQZAYQLAE-UHFFFAOYSA-N 0 0 317.885 5.103 40 0 DKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Cl ZINC000408585923 257229990 /nfs/dbraw/zinc/22/99/90/257229990.db2.gz KELHNPNOCCXJKO-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C)c1 ZINC000408586662 257229116 /nfs/dbraw/zinc/22/91/16/257229116.db2.gz OPIAQWBMNDPHON-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1 ZINC000408587661 257229241 /nfs/dbraw/zinc/22/92/41/257229241.db2.gz SXTQWZILKOYKFU-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C ZINC000408588902 257229441 /nfs/dbraw/zinc/22/94/41/257229441.db2.gz XASKANOVAKTPQC-UHFFFAOYSA-N 0 0 317.816 5.080 40 0 DKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC000408589002 257229102 /nfs/dbraw/zinc/22/91/02/257229102.db2.gz XTCYEGPYMOPPHC-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000408589123 257229109 /nfs/dbraw/zinc/22/91/09/257229109.db2.gz YTUFGJOPFOHIPK-UHFFFAOYSA-N 0 0 324.207 5.035 40 0 DKABRN O=C(Nc1c(F)cccc1F)c1cc2c(ccc3ccccc23)o1 ZINC000408608662 257229297 /nfs/dbraw/zinc/22/92/97/257229297.db2.gz OKTBFUMQOUEMRK-UHFFFAOYSA-N 0 0 323.298 5.117 40 0 DKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2o1 ZINC000408609687 257229160 /nfs/dbraw/zinc/22/91/60/257229160.db2.gz PSTQXMHGVVWIQQ-UHFFFAOYSA-N 0 0 324.138 5.131 40 0 DKABRN Cc1ccc2[nH]c(SC(=O)c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000408622118 257228584 /nfs/dbraw/zinc/22/85/84/257228584.db2.gz OHVMPFVKACHNJX-UHFFFAOYSA-N 0 0 324.449 5.101 40 0 DKABRN CCn1c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000408692357 257228328 /nfs/dbraw/zinc/22/83/28/257228328.db2.gz KQGRWBSBHDSENY-UHFFFAOYSA-N 0 0 302.830 5.002 40 0 DKABRN CC(C)c1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000408711229 257228060 /nfs/dbraw/zinc/22/80/60/257228060.db2.gz JXKFLWPBQZLYRO-UHFFFAOYSA-N 0 0 317.432 5.535 40 0 DKABRN CC(C)(C)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000408718303 257228171 /nfs/dbraw/zinc/22/81/71/257228171.db2.gz QZOCNQIVHJPENR-UHFFFAOYSA-N 0 0 315.844 5.322 40 0 DKABRN COc1ccc(NCC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000408718581 257228094 /nfs/dbraw/zinc/22/80/94/257228094.db2.gz CGRLURRJYFGFGJ-UHFFFAOYSA-N 0 0 323.436 5.038 40 0 DKABRN Cc1sc(Nc2cccc(C)c2C)nc1-c1ccc(C)cc1 ZINC000408756184 563960256 /nfs/dbraw/zinc/96/02/56/563960256.db2.gz OGLKIBNZKFWUHQ-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN 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Cc1sc(Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1 ZINC000409042671 563960247 /nfs/dbraw/zinc/96/02/47/563960247.db2.gz OAGKWENJVZZEGP-UHFFFAOYSA-N 0 0 314.841 5.824 40 0 DKABRN Cc1sc(Nc2ccc(F)cc2)nc1-c1cc(C)ccc1C ZINC000409044986 257224254 /nfs/dbraw/zinc/22/42/54/257224254.db2.gz WXSIUBDEJBWXNC-UHFFFAOYSA-N 0 0 312.413 5.618 40 0 DKABRN Cc1sc(Nc2ccccc2C)nc1-c1ccc(C)c(C)c1 ZINC000409046182 563478883 /nfs/dbraw/zinc/47/88/83/563478883.db2.gz JICGYHMXAFKYIX-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1sc(Nc2cccc(C)c2)nc1-c1ccc(C)cc1C ZINC000409046277 563960292 /nfs/dbraw/zinc/96/02/92/563960292.db2.gz JSYQIQFMTZZKHI-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1sc(Nc2ccc(C)cc2)nc1-c1ccc(C)cc1C ZINC000409046301 257224052 /nfs/dbraw/zinc/22/40/52/257224052.db2.gz JXJFFJUNMUQRIV-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1sc(Nc2ccccc2F)nc1-c1ccc(C)c(C)c1 ZINC000409046426 563960291 /nfs/dbraw/zinc/96/02/91/563960291.db2.gz KOAAHJGHSJNESW-UHFFFAOYSA-N 0 0 312.413 5.618 40 0 DKABRN Cc1sc(Nc2ccccc2F)nc1-c1ccc(C)cc1C ZINC000409047185 563960299 /nfs/dbraw/zinc/96/02/99/563960299.db2.gz NNMYXAMQUQBHLE-UHFFFAOYSA-N 0 0 312.413 5.618 40 0 DKABRN Cc1sc(Nc2cccc(C)c2)nc1-c1cc(C)ccc1C ZINC000409047276 563960271 /nfs/dbraw/zinc/96/02/71/563960271.db2.gz OALFBQSXPFNWIO-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1sc(Nc2ccc(C)cc2)nc1-c1ccc(C)c(C)c1 ZINC000409047791 257224072 /nfs/dbraw/zinc/22/40/72/257224072.db2.gz PMSQKVMLINYAGI-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(C)c(C)c1 ZINC000409048190 257224127 /nfs/dbraw/zinc/22/41/27/257224127.db2.gz RCMULBTZYLZGHC-UHFFFAOYSA-N 0 0 312.413 5.618 40 0 DKABRN Cc1sc(Nc2ccccc2C)nc1-c1cc(C)ccc1C ZINC000409048194 563960365 /nfs/dbraw/zinc/96/03/65/563960365.db2.gz REKYPQFTHWXFHA-UHFFFAOYSA-N 0 0 308.450 5.787 40 0 DKABRN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(Cl)c1 ZINC000409054859 257223691 /nfs/dbraw/zinc/22/36/91/257223691.db2.gz WAJXVYIMLLOVLF-UHFFFAOYSA-N 0 0 301.817 5.198 40 0 DKABRN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000409059667 257223675 /nfs/dbraw/zinc/22/36/75/257223675.db2.gz WMJBRZXZXFNPSP-UHFFFAOYSA-N 0 0 301.817 5.198 40 0 DKABRN O=C1Nc2ccccc2S/C1=C\c1cccc(Cl)c1Cl ZINC000409108215 257222994 /nfs/dbraw/zinc/22/29/94/257222994.db2.gz VTHOSQPYCKAJMD-JYRVWZFOSA-N 0 0 322.216 5.079 40 0 DKABRN CCCCSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000409108480 257222974 /nfs/dbraw/zinc/22/29/74/257222974.db2.gz WFNVHCNLMYZBRZ-UHFFFAOYSA-N 0 0 323.893 5.147 40 0 DKABRN CCCOc1c(Cl)cc(CNc2ccccc2C)cc1OC ZINC000409109256 257222772 /nfs/dbraw/zinc/22/27/72/257222772.db2.gz ANWGNYHZAALPSE-UHFFFAOYSA-N 0 0 319.832 5.058 40 0 DKABRN CCCOc1ccc(CNc2cc(C)ccc2C)cc1OCC ZINC000409109394 257223055 /nfs/dbraw/zinc/22/30/55/257223055.db2.gz CUOOEWZMHVEOOF-UHFFFAOYSA-N 0 0 313.441 5.103 40 0 DKABRN CCOc1ccc(NCc2c(OCC)ccc3ccccc32)cc1 ZINC000409109408 257222738 /nfs/dbraw/zinc/22/27/38/257222738.db2.gz DFEYHOSNGFNLEA-UHFFFAOYSA-N 0 0 321.420 5.249 40 0 DKABRN COc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl ZINC000409109474 257222851 /nfs/dbraw/zinc/22/28/51/257222851.db2.gz FRFQAYDUYLSLGX-UHFFFAOYSA-N 0 0 310.224 5.231 40 0 DKABRN Cc1ccc(COc2ccc(CNc3ccccc3C)cc2)cc1 ZINC000409109535 257222719 /nfs/dbraw/zinc/22/27/19/257222719.db2.gz GWSRRFFBTOMODG-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN Cc1ccccc1NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000409109683 257223077 /nfs/dbraw/zinc/22/30/77/257223077.db2.gz JHMFZOAWTNKTEH-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN COc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C ZINC000409109802 257222962 /nfs/dbraw/zinc/22/29/62/257222962.db2.gz LSMZLTCKJABAJP-UHFFFAOYSA-N 0 0 310.224 5.231 40 0 DKABRN Cc1ccccc1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000409109916 257223137 /nfs/dbraw/zinc/22/31/37/257223137.db2.gz NVLWBFFUPODKMC-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCCN1c2ccccc2/C(=C/c2cccc3ccccc23)C1=O ZINC000409109962 257222964 /nfs/dbraw/zinc/22/29/64/257222964.db2.gz OQMOYTJMPZYNKF-HKWRFOASSA-N 0 0 313.400 5.137 40 0 DKABRN CCCOc1ccc(CNc2ccc(CC)cc2)cc1Cl ZINC000409109996 257223146 /nfs/dbraw/zinc/22/31/46/257223146.db2.gz PDQDCWJOBCZTPQ-UHFFFAOYSA-N 0 0 303.833 5.303 40 0 DKABRN CCCOc1ccc(Cl)cc1CNc1cccc(Cl)c1C ZINC000409110090 257222943 /nfs/dbraw/zinc/22/29/43/257222943.db2.gz RBTRVGJAPROARF-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN Cc1ccc(C)c(NCc2ccccc2OCc2ccccc2)c1 ZINC000409110132 257222817 /nfs/dbraw/zinc/22/28/17/257222817.db2.gz SASBBMVRGVTCLD-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN Cc1ccccc1NCc1cccc(OCc2ccccc2F)c1 ZINC000409110621 257222885 /nfs/dbraw/zinc/22/28/85/257222885.db2.gz XDMSDVFDTCFGAB-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCCOc1ccc(CNc2cccc(Cl)c2C)cc1OC ZINC000409110633 257223091 /nfs/dbraw/zinc/22/30/91/257223091.db2.gz XFKNDRLBRSWVIM-UHFFFAOYSA-N 0 0 319.832 5.058 40 0 DKABRN CCCOc1c(Cl)cc(CNc2ccccc2C)cc1Cl ZINC000409110661 257223145 /nfs/dbraw/zinc/22/31/45/257223145.db2.gz FSYWFFURRAMVAT-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN Cc1cccc(NCc2ccccc2OCc2ccc(F)cc2)c1 ZINC000409110672 257222945 /nfs/dbraw/zinc/22/29/45/257222945.db2.gz FUPOVUBJEDFYIZ-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000409110758 257223142 /nfs/dbraw/zinc/22/31/42/257223142.db2.gz GNAJXISZYRUQIK-HNNXBMFYSA-N 0 0 321.445 5.268 40 0 DKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000409110759 257222930 /nfs/dbraw/zinc/22/29/30/257222930.db2.gz GNAJXISZYRUQIK-OAHLLOKOSA-N 0 0 321.445 5.268 40 0 DKABRN Cc1ccccc1NCc1ccccc1OCc1ccc(F)cc1 ZINC000409110806 257222920 /nfs/dbraw/zinc/22/29/20/257222920.db2.gz AAYTVBPVEDZQDZ-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN Cc1ccc(COc2cccc(CNc3ccccc3C)c2)cc1 ZINC000409110846 257223102 /nfs/dbraw/zinc/22/31/02/257223102.db2.gz YZUGHVINAAKVAU-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl ZINC000409110952 257222644 /nfs/dbraw/zinc/22/26/44/257222644.db2.gz AJOFIJPLWJVTII-UHFFFAOYSA-N 0 0 324.251 5.621 40 0 DKABRN CCCOc1ccc(CNc2cc(Cl)ccc2C)cc1Cl ZINC000409110957 257222906 /nfs/dbraw/zinc/22/29/06/257222906.db2.gz AKGJRZNGZNLNFW-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN Cc1ccccc1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000409111122 257223009 /nfs/dbraw/zinc/22/30/09/257223009.db2.gz AZKCZGPYPHTGIS-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN Fc1cccc(COc2ccc(CNc3ccccc3)cc2)c1 ZINC000409111130 257223007 /nfs/dbraw/zinc/22/30/07/257223007.db2.gz BCKGHLXYBCTRCZ-UHFFFAOYSA-N 0 0 307.368 5.017 40 0 DKABRN Cc1cccc(NCc2ccccc2OCc2ccccc2)c1C ZINC000409111372 257222306 /nfs/dbraw/zinc/22/23/06/257222306.db2.gz CFKDABRITWVPEN-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC ZINC000409111589 257222600 /nfs/dbraw/zinc/22/26/00/257222600.db2.gz BAVXGEOGSOLPGE-UHFFFAOYSA-N 0 0 324.251 5.567 40 0 DKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccccc1C ZINC000409111622 257222316 /nfs/dbraw/zinc/22/23/16/257222316.db2.gz BDKJLGVCWOIGCR-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN CCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C ZINC000409111780 257222293 /nfs/dbraw/zinc/22/22/93/257222293.db2.gz CDJGJMCLKFPBFZ-UHFFFAOYSA-N 0 0 324.251 5.621 40 0 DKABRN CCCOc1ccc(Cl)cc1CNc1ccc(CC)cc1 ZINC000409111793 257222149 /nfs/dbraw/zinc/22/21/49/257222149.db2.gz CERQKAMZTOXVHF-UHFFFAOYSA-N 0 0 303.833 5.303 40 0 DKABRN Cc1cccc(NCc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000409112237 257222183 /nfs/dbraw/zinc/22/21/83/257222183.db2.gz FMNNIZQYBSZGTA-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl ZINC000409112490 257222224 /nfs/dbraw/zinc/22/22/24/257222224.db2.gz GVNUCUBEQPSPMR-UHFFFAOYSA-N 0 0 324.251 5.621 40 0 DKABRN CCOc1ccc(Cl)cc1CNc1cccc(Cl)c1C ZINC000409112515 257222577 /nfs/dbraw/zinc/22/25/77/257222577.db2.gz DEAWUBFGRUKUHN-UHFFFAOYSA-N 0 0 310.224 5.313 40 0 DKABRN CCOc1ccc(CNc2cccc(Cl)c2C)cc1OCC ZINC000409112562 257222566 /nfs/dbraw/zinc/22/25/66/257222566.db2.gz DXYUKOFUPDKNHI-UHFFFAOYSA-N 0 0 319.832 5.058 40 0 DKABRN CCOc1c(Cl)cc(CNc2ccccc2C)cc1Cl ZINC000409112591 257222540 /nfs/dbraw/zinc/22/25/40/257222540.db2.gz FBSIVLXTDHSPJI-UHFFFAOYSA-N 0 0 310.224 5.313 40 0 DKABRN CCCOc1ccc(Cl)cc1CNc1cc(Cl)ccc1C ZINC000409112598 257222205 /nfs/dbraw/zinc/22/22/05/257222205.db2.gz FFPYZQSRSYJLAL-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1 ZINC000409112840 257222267 /nfs/dbraw/zinc/22/22/67/257222267.db2.gz LYDHELOOOOTHRJ-UHFFFAOYSA-N 0 0 324.251 5.703 40 0 DKABRN Cc1ccc(COc2ccccc2CNc2cccc(C)c2)cc1 ZINC000409112927 257222537 /nfs/dbraw/zinc/22/25/37/257222537.db2.gz MLILSXBFXRNJQA-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN COc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C ZINC000409113141 257222399 /nfs/dbraw/zinc/22/23/99/257222399.db2.gz ICBBVJNUPXKLAF-UHFFFAOYSA-N 0 0 310.224 5.231 40 0 DKABRN CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C ZINC000409113236 257222440 /nfs/dbraw/zinc/22/24/40/257222440.db2.gz HDRNUDOJHFICKQ-UHFFFAOYSA-N 0 0 324.251 5.621 40 0 DKABRN Cc1ccccc1NCc1ccccc1OCc1cccc(F)c1 ZINC000409113260 257222383 /nfs/dbraw/zinc/22/23/83/257222383.db2.gz HFYYRNRTOWJFTA-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCC ZINC000409113460 257222563 /nfs/dbraw/zinc/22/25/63/257222563.db2.gz AXQGTKKPXVMMJY-UHFFFAOYSA-N 0 0 319.832 5.058 40 0 DKABRN Cc1ccc(COc2cccc(CNc3cccc(C)c3)c2)cc1 ZINC000409113561 257222337 /nfs/dbraw/zinc/22/23/37/257222337.db2.gz HEIJPSWHDUYYFW-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CCCOc1ccc(CNc2cccc(C)c2C)cc1Cl ZINC000409113678 257222466 /nfs/dbraw/zinc/22/24/66/257222466.db2.gz FPIRBNZASFSTFU-UHFFFAOYSA-N 0 0 303.833 5.358 40 0 DKABRN Cc1cccc(NCc2cccc(OCc3cccc(F)c3)c2)c1 ZINC000409113818 257222220 /nfs/dbraw/zinc/22/22/20/257222220.db2.gz FUTLIMSVDBGJHU-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CC(C)CN1c2ccccc2/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000409113986 257222208 /nfs/dbraw/zinc/22/22/08/257222208.db2.gz KAKOTPJHQLJXJA-MOSHPQCFSA-N 0 0 319.448 5.353 40 0 DKABRN Cc1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000409114079 257222596 /nfs/dbraw/zinc/22/25/96/257222596.db2.gz BTQBFOOIGJXZNC-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCCOc1ccc(Cl)cc1CNc1ccc(OCC)cc1 ZINC000409114123 257222155 /nfs/dbraw/zinc/22/21/55/257222155.db2.gz CMOSMBGQGXBSDL-UHFFFAOYSA-N 0 0 319.832 5.140 40 0 DKABRN CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C ZINC000409114343 257222438 /nfs/dbraw/zinc/22/24/38/257222438.db2.gz HDVNBXHVJZXZDX-UHFFFAOYSA-N 0 0 324.251 5.621 40 0 DKABRN CCCN1c2ccccc2/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000409114554 257222593 /nfs/dbraw/zinc/22/25/93/257222593.db2.gz HHSXSNQJBQBEDT-RGEXLXHISA-N 0 0 305.421 5.107 40 0 DKABRN CCOc1ccc(CNc2cccc(Cl)c2C)cc1Cl ZINC000409114637 257222486 /nfs/dbraw/zinc/22/24/86/257222486.db2.gz ITMZCZCOQOHVLZ-UHFFFAOYSA-N 0 0 310.224 5.313 40 0 DKABRN CCCOc1ccc(CNc2cccc(C)c2C)cc1OCC ZINC000409114665 257222280 /nfs/dbraw/zinc/22/22/80/257222280.db2.gz IAVRYVQKYJRBTP-UHFFFAOYSA-N 0 0 313.441 5.103 40 0 DKABRN CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC ZINC000409114740 257222389 /nfs/dbraw/zinc/22/23/89/257222389.db2.gz PZLVNDMRZWXBIU-UHFFFAOYSA-N 0 0 319.832 5.058 40 0 DKABRN Cc1ccc(COc2ccccc2CNc2ccccc2C)cc1 ZINC000409114771 257222488 /nfs/dbraw/zinc/22/24/88/257222488.db2.gz JFIGGAVVQQLNCI-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CCOc1ccc2ccccc2c1CNc1cc(C)ccc1C ZINC000409114833 257222499 /nfs/dbraw/zinc/22/24/99/257222499.db2.gz JNDAMZGKDLDNFP-UHFFFAOYSA-N 0 0 305.421 5.467 40 0 DKABRN Cc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409115031 257222534 /nfs/dbraw/zinc/22/25/34/257222534.db2.gz JSYXUSGZEZXVOW-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl ZINC000409115200 257222099 /nfs/dbraw/zinc/22/20/99/257222099.db2.gz JKECMQZKHHPUAT-UHFFFAOYSA-N 0 0 324.251 5.567 40 0 DKABRN Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000409115217 257222428 /nfs/dbraw/zinc/22/24/28/257222428.db2.gz KOQSEDYQULDDDY-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1 ZINC000409115366 257222557 /nfs/dbraw/zinc/22/25/57/257222557.db2.gz IVWHOMZBWCSGJC-UHFFFAOYSA-N 0 0 310.224 5.313 40 0 DKABRN CCc1ccc(NCc2ccccc2OCc2ccccc2)cc1 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/nfs/dbraw/zinc/22/21/70/257222170.db2.gz LSYOQRNSLRVKSF-UHFFFAOYSA-N 0 0 317.432 5.495 40 0 DKABRN CCCOc1ccc(CNc2cc(C)ccc2C)cc1Cl ZINC000409116256 257222265 /nfs/dbraw/zinc/22/22/65/257222265.db2.gz INYBTKLTRDBBKI-UHFFFAOYSA-N 0 0 303.833 5.358 40 0 DKABRN Cc1cccc(NCc2ccccc2OCc2ccccc2)c1 ZINC000409116396 257222517 /nfs/dbraw/zinc/22/25/17/257222517.db2.gz IXPKPIBONLJOOI-UHFFFAOYSA-N 0 0 303.405 5.186 40 0 DKABRN CCc1ccccc1NCc1ccccc1OCc1ccccc1 ZINC000409116728 257222199 /nfs/dbraw/zinc/22/21/99/257222199.db2.gz ONYLNQKTUQXWSD-UHFFFAOYSA-N 0 0 317.432 5.440 40 0 DKABRN Cc1ccccc1NCc1cccc(OCc2cccc(F)c2)c1 ZINC000409116847 257222286 /nfs/dbraw/zinc/22/22/86/257222286.db2.gz LZWFEBJRMWBTKT-UHFFFAOYSA-N 0 0 321.395 5.325 40 0 DKABRN CCCOc1ccc(CNc2ccc(C)cc2C)cc1Cl ZINC000409116932 257222387 /nfs/dbraw/zinc/22/23/87/257222387.db2.gz VSIJSQBWGOWPGB-UHFFFAOYSA-N 0 0 303.833 5.358 40 0 DKABRN Cc1cccc(NCc2ccccc2OCc2cccc(F)c2)c1 ZINC000409116934 257222436 /nfs/dbraw/zinc/22/24/36/257222436.db2.gz 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Clc1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000409192819 257221436 /nfs/dbraw/zinc/22/14/36/257221436.db2.gz BWIHUDUPXICMJD-UHFFFAOYSA-N 0 0 311.793 5.877 40 0 DKABRN CCOc1ccc(-c2nc3ccccc3s2)c2ccccc12 ZINC000409193358 257221213 /nfs/dbraw/zinc/22/12/13/257221213.db2.gz JOAYAVULNLQVFQ-UHFFFAOYSA-N 0 0 305.402 5.515 40 0 DKABRN CC(C)Oc1ccc(-c2nc3ccccc3s2)c2ccccc12 ZINC000409193431 257221136 /nfs/dbraw/zinc/22/11/36/257221136.db2.gz KOASPGDFLKTXPN-UHFFFAOYSA-N 0 0 319.429 5.904 40 0 DKABRN Cc1ccc(Sc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000409193833 257221329 /nfs/dbraw/zinc/22/13/29/257221329.db2.gz MDAAUQIAGJWBJW-UHFFFAOYSA-N 0 0 323.442 6.016 40 0 DKABRN Clc1ccc(-n2cccc2-c2nc3ccccc3s2)cc1 ZINC000409195166 257221167 /nfs/dbraw/zinc/22/11/67/257221167.db2.gz UFALBIWWPBCWLA-UHFFFAOYSA-N 0 0 310.809 5.407 40 0 DKABRN CC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409195978 257221298 /nfs/dbraw/zinc/22/12/98/257221298.db2.gz LTQDPLHVJUSGQD-UHFFFAOYSA-N 0 0 318.203 5.199 40 0 DKABRN CC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409198557 257221477 /nfs/dbraw/zinc/22/14/77/257221477.db2.gz BZEBCFKKMJVNGQ-UHFFFAOYSA-N 0 0 318.203 5.199 40 0 DKABRN O=C1/C(=C/C=C/c2ccccc2)c2ccccc2N1c1ccccc1 ZINC000409207087 257220612 /nfs/dbraw/zinc/22/06/12/257220612.db2.gz OOVSKUWFMNCFJV-OPYITDSMSA-N 0 0 323.395 5.462 40 0 DKABRN CCCCCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O ZINC000409212142 257220554 /nfs/dbraw/zinc/22/05/54/257220554.db2.gz PMKAYZUXFDRLEL-VBKFSLOCSA-N 0 0 317.454 5.037 40 0 DKABRN Cc1nc(SCc2cccc3ccccc32)nc2c1CCCC2 ZINC000409271638 257220129 /nfs/dbraw/zinc/22/01/29/257220129.db2.gz KULFKMMZYKXHHQ-UHFFFAOYSA-N 0 0 320.461 5.109 40 0 DKABRN Cc1ccc(-c2cc(C)nc(SCc3ccccc3)n2)cc1 ZINC000409384993 257220252 /nfs/dbraw/zinc/22/02/52/257220252.db2.gz HCWRIGMWYLCTBX-UHFFFAOYSA-N 0 0 306.434 5.053 40 0 DKABRN Cc1ccc(-c2cc(C)nc(SCc3ccc(F)cc3)n2)cc1 ZINC000409387110 563525351 /nfs/dbraw/zinc/52/53/51/563525351.db2.gz ZQBUCPBAVCFIHO-UHFFFAOYSA-N 0 0 324.424 5.192 40 0 DKABRN Clc1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000409391784 563627664 /nfs/dbraw/zinc/62/76/64/563627664.db2.gz LGXNIFLVOXLVFZ-UHFFFAOYSA-N 0 0 324.836 5.662 40 0 DKABRN Clc1ccccc1CSc1nc2cc3ccccc3cc2[nH]1 ZINC000409392013 563627690 /nfs/dbraw/zinc/62/76/90/563627690.db2.gz MVBGCVCBRLALFM-UHFFFAOYSA-N 0 0 324.836 5.662 40 0 DKABRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC ZINC000575440700 563857897 /nfs/dbraw/zinc/85/78/97/563857897.db2.gz PEHLAPKITHTZRT-JEBPEJKESA-N 0 0 302.458 5.691 40 0 in-vitro DKABRN CCC[C@H]1CC[C@H](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000584578757 337367711 /nfs/dbraw/zinc/36/77/11/337367711.db2.gz FQJHIVLPDQLNAL-POSCCBCBSA-N 0 0 318.932 7.220 40 0 DKABRN CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000584578758 337367706 /nfs/dbraw/zinc/36/77/06/337367706.db2.gz FSWZOZXLWVWJAH-MJYONLJCSA-N 0 0 320.467 6.845 40 0 DKABRN CC[C@H]1CC[C@H](C2CCC(c3ccc(C)c(F)c3F)CC2)CC1 ZINC000584578759 337367660 /nfs/dbraw/zinc/36/76/60/337367660.db2.gz GDXLAJNVPUQWRF-MJYONLJCSA-N 0 0 320.467 6.763 40 0 DKABRN CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000584578762 337367608 /nfs/dbraw/zinc/36/76/08/337367608.db2.gz IKODGORUTZMKPL-VVPTUSLJSA-N 0 0 302.477 6.706 40 0 DKABRN Cc1ccc(N(Cc2cccc(Br)c2)C(C)C)cc1 ZINC000585090194 563861031 /nfs/dbraw/zinc/86/10/31/563861031.db2.gz IATAARGUSOTMHI-UHFFFAOYSA-N 0 0 318.258 5.173 40 0 DKABRN Cc1cccc(NC(=O)C2[C@@H]3CC/C=C/CC/C=C\CC[C@@H]23)c1C ZINC000585162590 563860867 /nfs/dbraw/zinc/86/08/67/563860867.db2.gz VZJYFAZDSQEGOH-KIVLHGCHSA-N 0 0 323.480 5.571 40 0 DKABRN Cc1cccc(NC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@H]23)c1C ZINC000585162591 563861024 /nfs/dbraw/zinc/86/10/24/563861024.db2.gz VZJYFAZDSQEGOH-RFYHQAPCSA-N 0 0 323.480 5.571 40 0 DKABRN Cc1cccc(NC(=O)[C@H]2[C@@H]3CC/C=C/CC/C=C\CC[C@@H]32)c1C ZINC000585162592 563860617 /nfs/dbraw/zinc/86/06/17/563860617.db2.gz VZJYFAZDSQEGOH-RKOIICJPSA-N 0 0 323.480 5.571 40 0 DKABRN Cc1cccc(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]32)c1C ZINC000585162593 563861290 /nfs/dbraw/zinc/86/12/90/563861290.db2.gz VZJYFAZDSQEGOH-YJCKGHQESA-N 0 0 323.480 5.571 40 0 DKABRN COc1ccc(Br)c(-c2ccc3ccccc3c2)c1 ZINC000585656324 563811464 /nfs/dbraw/zinc/81/14/64/563811464.db2.gz BMODPBBEJMZHOO-UHFFFAOYSA-N 0 0 313.194 5.278 40 0 DKABRN CCc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@H]23)cc1 ZINC000588227696 563888024 /nfs/dbraw/zinc/88/80/24/563888024.db2.gz NNMSYHADCFMKHB-JRGCBEDISA-N 0 0 307.437 5.192 40 0 DKABRN CC(C)c1cc(N2CCCC[C@H]2C(C)C)nc2c(O)cccc12 ZINC000685937915 563927052 /nfs/dbraw/zinc/92/70/52/563927052.db2.gz AWULDQQJVPMMOE-KRWDZBQOSA-N 0 0 312.457 5.079 40 0 DKABRN CC(C)c1cc(N2CCCC[C@@H]2C(C)C)nc2c(O)cccc12 ZINC000685937916 563926969 /nfs/dbraw/zinc/92/69/69/563926969.db2.gz AWULDQQJVPMMOE-QGZVFWFLSA-N 0 0 312.457 5.079 40 0 DKABRN